| 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 | V | 37 | Very low | 41.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 100% | 1.158 | 84% | 0.839 | S | S | * | * | 0 | 132.7 | 0 | 165.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2 | T | 34.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 77% | 0.767 | 84% | 0.836 | S | S | * | * | trans | 68.2 | 98.1 | 167.6 | -43.4 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 3 | V | 41.3 | Very low | 42.2 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 73% | 0.733 | 83% | 0.831 | S | S | * | * | 20.1 | 126.3 | 122.8 | -174.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 4 | V | 37 | Very low | 42.9 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 84% | 0.842 | 82% | 0.824 | S | S | * | * | trans | -147.3 | 141.6 | 131.6 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | T | 39.6 | Very low | 43.2 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | trans | -127.8 | -174.9 | 171.7 | 58.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 6 | P | 62.3 | Low | 43.8 | Very low | 120 Ų | 120 | 136.4 Ų | 136.4 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -117.8 | -173.9 | -93.8 | 38.5 | -22 | 0 | 0 | 0 | 113.2 | |||||
| 7 | R | 33.7 | Very low | 44.4 | Very low | 243 Ų | 243 | 131.2 Ų | 131.2 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 143 | 152.5 | -108.4 | 176.2 | -165.8 | -175.8 | 4.3 | 112.2 | ||||
| 8 | P | 47.2 | Very low | 44.8 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -96 | 161.6 | -176.4 | 37.8 | -35 | 0 | 0 | 0 | 113.3 | ||||
| 9 | V | 42.1 | Very low | 45.1 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -112.7 | 127.5 | 165.4 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 10 | A | 39.1 | Very low | 45.4 | Very low | 93 Ų | 93 | 123.8 Ų | 123.8 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 131.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 11 | F | 42.6 | Very low | 45.8 | Very low | 206 Ų | 206 | 123.2 Ų | 123.2 | 90% | 0.904 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 125.1 | 163.1 | -92.6 | -90.5 | 0 | 0 | 0 | 109.7 | A13 | F11-A13 PolarHBondContact O-N 3.31Š|
| 12 | V | 43.6 | Very low | 46.6 | Very low | 133 Ų | 133 | 118 Ų | 118 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 117.1 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | ||
| 13 | A | 49.1 | Very low | 47.7 | Very low | 93 Ų | 93 | 116.5 Ų | 116.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 120.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F11 | F11-A13 PolarHBondContact O-N 3.31Š|
| 14 | V | 51.5 | Low | 48.4 | Very low | 121 Ų | 121 | 117.6 Ų | 117.6 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 126.4 | 173 | 179.7 | 0 | 0 | 0 | 0 | 109 | ||
| 15 | P | 47.3 | Very low | 49.4 | Very low | 94 Ų | 94 | 112.8 Ų | 112.8 | 61% | 0.61 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.6 | -177 | 28.3 | -33.8 | 0 | 0 | 0 | 112.2 | G17 V18 | P15-G17 PolarHBondContact O-N 2.95Å; P15-V18 PolarHBondContact O-N 3.03Å |
| 16 | V | 53.5 | Low | 50.3 | Low | 124 Ų | 124 | 112.8 Ų | 112.8 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -17.2 | -175.3 | 177.3 | 0 | 0 | 0 | 0 | 114.1 | V18 A19 | V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.24Å; V16-A19 PolarHBondContact O-N 3.38Å |
| 17 | G | 52.8 | Low | 50.3 | Low | 49 Ų | 49 | 111.1 Ų | 111.1 | 51% | 0.505 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -61.6 | -29.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P15 A19 V20 | P15-G17 PolarHBondContact O-N 2.95Å; G17-A19 PolarHBondContact O-N 3.26Å; G17-V20 PolarHBondContact O-N 3.47Å |
| 18 | V | 51.7 | Low | 51.5 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.1 | -32.9 | -175.4 | -174 | 0 | 0 | 0 | 0 | 112.1 | P15 V16 | P15-V18 PolarHBondContact O-N 3.03Å; V16-V18 VanDerWaalsContact C-N 3.32Å; V16-V18 PolarHBondContact O-N 3.24Å |
| 19 | A | 50.4 | Low | 52.4 | Low | 66 Ų | 66 | 105.7 Ų | 105.7 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.3 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V16 G17 S22 V23 | V16-A19 PolarHBondContact O-N 3.38Å; G17-A19 PolarHBondContact O-N 3.26Å; A19-S22 PolarHBondContact O-N 3.35Å; A19-V23 PolarHBondContact O-N 3.46Å |
| 20 | V | 52.3 | Low | 53.6 | Low | 78 Ų | 78 | 102 Ų | 102 | 47% | 0.473 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -69 | -43.1 | -176.7 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | G17 S22 V23 F24 | G17-V20 PolarHBondContact O-N 3.47Å; V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 2.93Å; V20-V23 PolarHBondContact O-N 3.23Å; V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.92Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; V20-F24 PolarHBondContact O-N 2.79Å |
| 21 | V | 53.1 | Low | 55 | Low | 113 Ų | 113 | 101 Ų | 101 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.1 | -36.7 | 179.6 | 179.8 | 0 | 0 | 0 | 0 | 111.8 | G25 | V21-G25 PolarHBondContact O-N 3.36Å; V21-G25 VanDerWaalsContact O-N 3.14Å |
| 22 | S | 55.1 | Low | 56.2 | Low | 80 Ų | 80 | 93.5 Ų | 93.5 | 56% | 0.559 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.6 | -45.3 | 178.9 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | A19 V20 G25 L26 | A19-S22 PolarHBondContact O-N 3.35Å; V20-S22 VanDerWaalsContact C-N 3.29Å; V20-S22 PolarHBondContact O-N 2.93Å; S22-G25 PolarHBondContact O-N 3.22Å; S22-L26 PolarHBondContact O-N 2.9Å |
| 23 | V | 56.9 | Low | 57.3 | Low | 95 Ų | 95 | 94.2 Ų | 94.2 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.8 | -42.5 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 111.8 | A19 V20 L26 V27 | A19-V23 PolarHBondContact O-N 3.46Å; V20-V23 PolarHBondContact O-N 3.23Å; V23-L26 PolarHBondContact O-N 3.1Å; V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å |
| 24 | F | 56.3 | Low | 58.1 | Low | 143 Ų | 143 | 92.3 Ų | 92.3 | 63% | 0.627 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -36.1 | 178.3 | -82.1 | -77.6 | 0 | 0 | 0 | 112.9 | V20 L26 V27 F28 | V20-F24 HydrophobicContact CG1-CD2 3.89Å; V20-F24 HydrophobicContact CG1-CE2 3.92Å; V20-F24 WeakPolarHBondContact O-CD2 3.36Å; V20-F24 PolarHBondContact O-N 2.79Å; F24-L26 PolarHBondContact O-N 2.79Å; F24-V27 PolarHBondContact O-N 3.4Å; F24-F28 PolarHBondContact O-N 3Å |
| 25 | G | 57.2 | Low | 58.8 | Low | 38 Ų | 38 | 95.6 Ų | 95.6 | 39% | 0.392 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.5 | -37.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V21 S22 T29 | V21-G25 PolarHBondContact O-N 3.36Å; V21-G25 VanDerWaalsContact O-N 3.14Å; S22-G25 PolarHBondContact O-N 3.22Å; G25-T29 WeakPolarHBondContact O-CG2 3.44Å; G25-T29 PolarHBondContact O-N 2.63Å; G25-T29 VanDerWaalsContact O-N 3.1Å; G25-T29 PolarHBondContact O-OG1 3.25Å |
| 26 | L | 57.9 | Low | 59.8 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 62% | 0.623 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70 | -38.5 | 179.7 | -128.4 | 164.4 | 0 | 0 | 0 | 112.4 | S22 V23 F24 T29 A30 | S22-L26 PolarHBondContact O-N 2.9Å; V23-L26 PolarHBondContact O-N 3.1Å; F24-L26 PolarHBondContact O-N 2.79Å; L26-T29 PolarHBondContact O-OG1 3.23Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.31Å; L26-A30 VanDerWaalsContact O-N 3.15Å |
| 27 | V | 62.3 | Low | 60.1 | Low | 86 Ų | 86 | 93.4 Ų | 93.4 | 52% | 0.521 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -39.6 | 176.5 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | V23 F24 S31 | V23-V27 WeakPolarHBondContact O-CG2 3.42Å; V23-V27 PolarHBondContact O-N 3.16Å; F24-V27 PolarHBondContact O-N 3.4Å; V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3Å; V27-S31 PolarHBondContact O-OG 3.15Å |
| 28 | F | 59.6 | Low | 60 | Low | 166 Ų | 166 | 95.5 Ų | 95.5 | 73% | 0.728 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68 | -42 | 178.3 | -117.7 | -89.5 | 0 | 0 | 0 | 112.6 | F24 S31 A32 | F24-F28 PolarHBondContact O-N 3Å; F28-S31 PolarHBondContact O-N 2.95Å; F28-A32 PolarHBondContact O-N 3.35Å |
| 29 | T | 66.1 | Low | 60 | Low | 85 Ų | 85 | 96.9 Ų | 96.9 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.5 | -41.4 | 179.8 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | G25 L26 S31 A32 F33 | G25-T29 WeakPolarHBondContact O-CG2 3.44Å; G25-T29 PolarHBondContact O-N 2.63Å; G25-T29 VanDerWaalsContact O-N 3.1Å; G25-T29 PolarHBondContact O-OG1 3.25Å; L26-T29 PolarHBondContact O-OG1 3.23Å; L26-T29 VanDerWaalsContact O-OG1 3.13Å; T29-S31 VanDerWaalsContact C-N 3.34Å; T29-S31 PolarHBondContact O-N 3.47Å; T29-A32 PolarHBondContact O-N 3.29Å; T29-F33 PolarHBondContact O-N 2.93Å |
| 30 | A | 67.9 | Low | 59.6 | Low | 59 Ų | 59 | 103.5 Ų | 103.5 | 49% | 0.488 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.7 | -41 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L26 F33 A34 | L26-A30 WeakPolarHBondContact O-CB 3.43Å; L26-A30 PolarHBondContact O-N 3.31Å; L26-A30 VanDerWaalsContact O-N 3.15Å; A30-F33 PolarHBondContact O-N 3.1Å; A30-A34 WeakPolarHBondContact O-CB 3.45Å; A30-A34 PolarHBondContact O-N 3.13Å |
| 31 | S | 68.3 | Low | 59 | Low | 72 Ų | 72 | 108.5 Ų | 108.5 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.4 | -41.3 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | V27 F28 T29 A34 W35 | V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3Å; V27-S31 PolarHBondContact O-OG 3.15Å; F28-S31 PolarHBondContact O-N 2.95Å; T29-S31 VanDerWaalsContact C-N 3.34Å; T29-S31 PolarHBondContact O-N 3.47Å; S31-A34 PolarHBondContact O-N 3.26Å; S31-W35 PolarHBondContact O-N 3.47Å; S31-W35 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 67.6 | Low | 58.4 | Low | 49 Ų | 49 | 109.9 Ų | 109.9 | 41% | 0.405 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.3 | -42.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | F28 T29 A34 W35 I36 | F28-A32 PolarHBondContact O-N 3.35Å; T29-A32 PolarHBondContact O-N 3.29Å; A32-A34 PolarHBondContact O-N 2.89Å; A32-W35 PolarHBondContact O-N 3.29Å; A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.01Å |
| 33 | F | 67.4 | Low | 57.8 | Low | 148 Ų | 148 | 111.2 Ų | 111.2 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.9 | -39.7 | 176.2 | -112 | -91.5 | 0 | 0 | 0 | 112.5 | T29 A30 I36 C37 | T29-F33 PolarHBondContact O-N 2.93Å; A30-F33 PolarHBondContact O-N 3.1Å; F33-I36 PolarHBondContact O-N 2.83Å; F33-C37 WeakPolarHBondContact O-CB 3.18Å; F33-C37 PolarHBondContact O-N 2.9Å; F33-C37 PolarHBondContact O-SG 2.86Å |
| 34 | A | 65.6 | Low | 57.2 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 45% | 0.446 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.2 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | A30 S31 A32 C37 C38 | A30-A34 WeakPolarHBondContact O-CB 3.45Å; A30-A34 PolarHBondContact O-N 3.13Å; S31-A34 PolarHBondContact O-N 3.26Å; A32-A34 PolarHBondContact O-N 2.89Å; A34-C37 PolarHBondContact O-N 3.07Å; A34-C38 WeakPolarHBondContact O-CB 3.44Å; A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.1Å |
| 35 | W | 66.4 | Low | 56.2 | Low | 190 Ų | 190 | 115.4 Ų | 115.4 | 72% | 0.72 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.9 | -48.8 | 175.6 | -171 | -60.6 | 0 | 0 | 0 | 111.9 | S31 A32 C37 C38 Q39 | S31-W35 PolarHBondContact O-N 3.47Å; S31-W35 VanDerWaalsContact O-N 3.1Å; A32-W35 PolarHBondContact O-N 3.29Å; W35-C37 PolarHBondContact O-N 3.23Å; W35-C38 PolarHBondContact O-N 3.48Å; W35-Q39 PolarHBondContact O-N 2.87Å |
| 36 | I | 68.1 | Low | 55.6 | Low | 100 Ų | 100 | 119 Ų | 119 | 51% | 0.513 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.6 | -41 | -179 | -67.8 | 166.6 | 0 | 0 | 0 | 111.1 | A32 F33 C38 Q39 R40 | A32-I36 WeakPolarHBondContact O-CG1 3.19Å; A32-I36 PolarHBondContact O-N 3.01Å; F33-I36 PolarHBondContact O-N 2.83Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-C38 PolarHBondContact O-N 3.48Å; I36-Q39 PolarHBondContact O-N 3.41Å; I36-R40 WeakPolarHBondContact O-CB 2.94Å; I36-R40 PolarHBondContact O-N 2.99Å |
| 37 | C | 58.3 | Low | 54.5 | Low | 72 Ų | 72 | 121.1 Ų | 121.1 | 49% | 0.486 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.6 | -36.6 | 175.1 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | F33 A34 W35 R40 K41 | F33-C37 WeakPolarHBondContact O-CB 3.18Å; F33-C37 PolarHBondContact O-N 2.9Å; F33-C37 PolarHBondContact O-SG 2.86Å; A34-C37 PolarHBondContact O-N 3.07Å; W35-C37 PolarHBondContact O-N 3.23Å; C37-R40 PolarHBondContact O-N 2.83Å; C37-K41 PolarHBondContact O-N 2.84Å; C37-K41 VanDerWaalsContact O-N 3.1Å |
| 38 | C | 51 | Low | 53.3 | Low | 92 Ų | 92 | 126.6 Ų | 126.6 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.4 | -37.8 | 175.2 | -69.6 | 0 | 0 | 0 | 0 | 112.6 | A34 W35 I36 | A34-C38 WeakPolarHBondContact O-CB 3.44Å; A34-C38 PolarHBondContact O-N 2.85Å; A34-C38 PolarHBondContact O-SG 2.1Å; W35-C38 PolarHBondContact O-N 3.48Å; I36-C38 VanDerWaalsContact C-N 3.35Å; I36-C38 PolarHBondContact O-N 3.48Å |
| 39 | Q | 51.5 | Low | 52.1 | Low | 130 Ų | 130 | 124.5 Ų | 124.5 | 61% | 0.607 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -63.4 | -46.6 | 171 | -91.3 | -164.9 | -15 | 0 | 0 | 112 | W35 I36 K41 N42 | W35-Q39 PolarHBondContact O-N 2.87Å; I36-Q39 PolarHBondContact O-N 3.41Å; Q39-K41 VanDerWaalsContact C-N 3.28Å; Q39-K41 PolarHBondContact O-N 3.5Å; Q39-N42 PolarHBondContact O-N 3.08Å |
| 40 | R | 42.6 | Very low | 50.4 | Low | 204 Ų | 204 | 124.7 Ų | 124.7 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -22.3 | -176.5 | -161.4 | 171.5 | -174.1 | 170.5 | 2.1 | 113.7 | I36 C37 N42 T43 | I36-R40 WeakPolarHBondContact O-CB 2.94Å; I36-R40 PolarHBondContact O-N 2.99Å; C37-R40 PolarHBondContact O-N 2.83Å; R40-N42 VanDerWaalsContact C-N 3.33Å; R40-T43 PolarHBondContact O-OG1 2.85Å |
| 41 | K | 40.6 | Very low | 48.8 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -78 | -14.9 | 172 | -121.6 | 175.4 | -177.2 | 176.2 | 0 | 113.7 | C37 Q39 | C37-K41 PolarHBondContact O-N 2.84Å; C37-K41 VanDerWaalsContact O-N 3.1Å; Q39-K41 VanDerWaalsContact C-N 3.28Å; Q39-K41 PolarHBondContact O-N 3.5Å |
| 42 | N | 39.9 | Very low | 47.2 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -93.8 | -7.7 | -177.1 | -144.4 | 25.3 | 0 | 0 | 0 | 113.7 | Q39 R40 | Q39-N42 PolarHBondContact O-N 3.08Å; R40-N42 VanDerWaalsContact C-N 3.33Å |
| 43 | T | 41.8 | Very low | 45.5 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -97.4 | 1.5 | -179.6 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | R40 | R40-T43 PolarHBondContact O-OG1 2.85Š|
| 44 | N | 43.8 | Very low | 44.2 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -127.2 | 61.1 | -179.1 | -99.9 | -30.9 | 0 | 0 | 0 | 112.9 | ||||
| 45 | K | 35.6 | Very low | 42.9 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -121.3 | 85.7 | 156.5 | -77.3 | -170.8 | 178.5 | -179.6 | 0 | 109.8 | Q47 | K45-Q47 PolarHBondContact O-N 3.32Š| ||
| 46 | S | 45 | Very low | 41.8 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -59.7 | 114.9 | 160.5 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 47 | Q | 34.5 | Very low | 40.3 | Very low | 165 Ų | 165 | 141 Ų | 141 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | trans | -116.1 | 103.1 | 167 | -81.3 | -165.6 | -39.7 | 0 | 0 | 109.1 | K45 T49 | K45-Q47 PolarHBondContact O-N 3.32Å; Q47-T49 PolarHBondContact O-N 2.89Å | ||
| 48 | K | 38.6 | Very low | 39.6 | Very low | 200 Ų | 200 | 141.5 Ų | 141.5 | 87% | 0.87 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 116.8 | 156.3 | -67 | 179.5 | 177.3 | -178.2 | 0 | 107.3 | ||
| 49 | T | 33.4 | Very low | 38.9 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 130.6 | 174 | 42.8 | 0 | 0 | 0 | 0 | 110.3 | Q47 | Q47-T49 PolarHBondContact O-N 2.89Š|
| 50 | P | 31.1 | Very low | 38.4 | Very low | 88 Ų | 88 | 144.3 Ų | 144.3 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 157.3 | 168.5 | 31.7 | -32.6 | 0 | 0 | 0 | 110.7 | Y52 | P50-Y52 HydrophobicContact CB-CD2 4.48Å; P50-Y52 HydrophobicContact CB-CE2 4.36Å; P50-Y52 HydrophobicContact CG-CD2 3.98Å; P50-Y52 HydrophobicContact CG-CE2 3.85Å; P50-Y52 PolarHBondContact O-N 3.43Å |
| 51 | P | 32.9 | Very low | 38.1 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | -78.6 | 94.4 | -173.6 | 31.8 | -34.9 | 0 | 0 | 0 | 111.8 | ||||
| 52 | Y | 35.8 | Very low | 37.9 | Very low | 184 Ų | 184 | 139 Ų | 139 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | -102.5 | 115.4 | 169.5 | -82.2 | -82.8 | 0 | 0 | 0 | 111.3 | P50 F54 | P50-Y52 HydrophobicContact CB-CD2 4.48Å; P50-Y52 HydrophobicContact CB-CE2 4.36Å; P50-Y52 HydrophobicContact CG-CD2 3.98Å; P50-Y52 HydrophobicContact CG-CE2 3.85Å; P50-Y52 PolarHBondContact O-N 3.43Å; Y52-F54 PolarHBondContact O-N 2.96Å | ||
| 53 | K | 31.6 | Very low | 37.9 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | trans | -71.4 | 112.5 | 167.5 | -71.2 | 178.3 | 177.2 | 178.8 | 0 | 108.9 | V55 | K53-V55 PolarHBondContact O-N 3.11Š| ||
| 54 | F | 39.5 | Very low | 37.5 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | trans | -81.2 | 114.5 | 174.3 | -81 | -90.7 | 0 | 0 | 0 | 110.6 | Y52 | Y52-F54 PolarHBondContact O-N 2.96Š| ||
| 55 | V | 37.9 | Very low | 37.1 | Very low | 84 Ų | 84 | 142.2 Ų | 142.2 | 51% | 0.509 | 73% | 0.733 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.6 | 113.9 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 108.1 | K53 M57 | K53-V55 PolarHBondContact O-N 3.11Å; V55-M57 PolarHBondContact O-N 3.12Å |
| 56 | H | 43.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 143.4 Ų | 143.4 | 43% | 0.431 | 74% | 0.741 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.2 | 94.8 | 176.7 | -83.9 | -121.9 | 0 | 0 | 0 | 110.5 | L58 | H56-L58 PolarHBondContact O-N 3.14Å |
| 57 | M | 37.2 | Very low | 36.9 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | trans | -89.5 | 87.6 | -179.3 | -161.5 | -170.5 | -44.8 | 0 | 0 | 111 | V55 K59 | V55-M57 PolarHBondContact O-N 3.12Å; M57-K59 PolarHBondContact O-N 3.35Å | ||
| 58 | L | 43.3 | Very low | 36.9 | Very low | 83 Ų | 83 | 143.2 Ų | 143.2 | 44% | 0.435 | 74% | 0.742 | S | S | . | * | trans | -80.4 | 99.2 | 179.7 | -70.8 | 172 | 0 | 0 | 0 | 112 | H56 I63 V224 | H56-L58 PolarHBondContact O-N 3.14Å; L58-I63 HydrophobicContact CD2-CD1 3.86Å; L58-V224 HydrophobicContact CD1-CG1 4.11Å | ||
| 59 | K | 36.5 | Very low | 36.6 | Very low | 204 Ų | 204 | 139.3 Ų | 139.3 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -89.3 | 118.3 | 151.8 | -138.6 | 175.7 | -173.8 | 179.2 | 0 | 106.3 | M57 V61 | M57-K59 PolarHBondContact O-N 3.35Å; K59-V61 PolarHBondContact O-N 2.95Å; K59-V61 VanDerWaalsContact O-N 3.09Å | ||
| 60 | G | 41.8 | Very low | 36.4 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -63.6 | 108.4 | -159.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 61 | V | 35.3 | Very low | 36.5 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -149.1 | 144.3 | 155.2 | -179.2 | 0 | 0 | 0 | 0 | 106.7 | K59 I63 | K59-V61 PolarHBondContact O-N 2.95Å; K59-V61 VanDerWaalsContact O-N 3.09Å; V61-I63 PolarHBondContact O-N 3.44Å |
| 62 | D | 36 | Very low | 36.4 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | trans | -61.2 | 127.9 | 176.4 | -72.1 | -64.1 | 0 | 0 | 0 | 112.2 | Y64 | D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 2.97Å | ||
| 63 | I | 41.2 | Very low | 36.2 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -95.4 | 42.3 | -176.3 | -38.3 | -179 | 0 | 0 | 0 | 111.6 | L58 V61 | L58-I63 HydrophobicContact CD2-CD1 3.86Å; V61-I63 PolarHBondContact O-N 3.44Å |
| 64 | Y | 34.1 | Very low | 36 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -143.2 | 106.6 | 166.1 | -78.1 | -74.4 | 0 | 0 | 0 | 109.8 | D62 E66 | D62-Y64 VanDerWaalsContact C-N 3.29Å; D62-Y64 PolarHBondContact O-N 2.97Å; Y64-E66 PolarHBondContact O-N 2.84Å | ||
| 65 | P | 34 | Very low | 35.5 | Very low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -75.5 | 121.9 | 174.3 | 29.1 | -32 | 0 | 0 | 0 | 111 | S67 | P65-S67 PolarHBondContact O-N 3.38Š| ||
| 66 | E | 41.6 | Very low | 35 | Very low | 206 Ų | 206 | 145.2 Ų | 145.2 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | trans | -70.3 | 86.9 | 164.9 | -73.6 | -164.2 | 155.4 | 0 | 0 | 110.6 | Y64 | Y64-E66 PolarHBondContact O-N 2.84Š| ||
| 67 | S | 35.2 | Very low | 34.2 | Very low | 91 Ų | 91 | 145 Ų | 145 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -159.3 | 83 | 165 | 67 | 0 | 0 | 0 | 0 | 114.4 | P65 | P65-S67 PolarHBondContact O-N 3.38Š| ||
| 68 | L | 35.1 | Very low | 33.8 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -140.5 | 64.4 | 158.8 | -80.3 | -175.2 | 0 | 0 | 0 | 112.6 | ||||
| 69 | S | 31.7 | Very low | 33.1 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | trans | -142.7 | 55.5 | 157.4 | 67.2 | 0 | 0 | 0 | 0 | 111.4 | K71 | S69-K71 PolarHBondContact O-N 3.03Š| ||
| 70 | G | 29.8 | Very low | 32.6 | Very low | 80 Ų | 80 | 140.6 Ų | 140.6 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -66 | 114.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 71 | K | 32.2 | Very low | 32 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -43.2 | 137.1 | 178.3 | -62.4 | 167.1 | 178.4 | 173.4 | 0 | 113.8 | S69 | S69-K71 PolarHBondContact O-N 3.03Š| ||
| 72 | K | 31.9 | Very low | 31.7 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -102.8 | 136.8 | 146.5 | -91.7 | -173.9 | 176 | 179 | 0 | 109.7 | ||||
| 73 | K | 30.1 | Very low | 31.4 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 144.5 | -175.6 | -62.5 | 171.8 | 175 | 177.3 | 0 | 111.4 | ||||
| 74 | F | 28.7 | Very low | 30.8 | Very low | 221 Ų | 221 | 142.6 Ų | 142.6 | 97% | 0.969 | 82% | 0.818 | S | S | * | * | trans | -126.1 | 153 | 139.2 | -88.5 | -83.4 | 0 | 0 | 0 | 108 | ||||
| 75 | A | 27.9 | Very low | 30.7 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | trans | -137.5 | 151.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 76 | A | 28.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | 63.4 | 144.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 77 | A | 26.5 | Very low | 29.9 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -129.1 | -179.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 78 | T | 28.5 | Very low | 29.6 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | cis | -167.7 | 144.3 | 47.4 | -29.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | T | 28.8 | Very low | 29.3 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | 41.2 | 120.8 | 150.2 | 46.6 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 80 | S | 25.7 | Very low | 29.4 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | 39.7 | 138.6 | 132.2 | 64 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 81 | T | 29.3 | Very low | 29.4 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | cis | -144.3 | 176 | 48.6 | 43.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 82 | A | 29.1 | Very low | 29.3 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | -106.6 | 158.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 83 | N | 29.1 | Very low | 29.5 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | -179 | 139.2 | 114.1 | -90.3 | 0.8 | 0 | 0 | 0 | 112.9 | |||||
| 84 | D | 30 | Very low | 29.5 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 45.4 | 139.7 | 147.1 | -64.8 | -27.6 | 0 | 0 | 0 | 122.8 | ||||
| 85 | A | 30.2 | Very low | 29.9 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | cis | -159.3 | 164.3 | -3.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 86 | A | 30 | Very low | 30 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 6 | 149.6 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 87 | K | 30.7 | Very low | 30.5 | Very low | 194 Ų | 194 | 131 Ų | 131 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | cis | -179.6 | 161.7 | 12.3 | -114.4 | 174.1 | -175.9 | 177.4 | 0 | 106.7 | ||||
| 88 | T | 28.7 | Very low | 30.9 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -148.1 | 166.4 | -8.4 | -36.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 89 | D | 27.3 | Very low | 31.3 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -88.9 | 171.3 | 168.2 | -148 | -22.3 | 0 | 0 | 0 | 111.9 | ||||
| 90 | V | 33.8 | Very low | 32 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | 161.6 | 128.9 | 138.2 | 165.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 91 | N | 30 | Very low | 33.4 | Very low | 149 Ų | 149 | 146.8 Ų | 146.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -70.4 | 156.6 | 178.4 | -52.5 | -79.6 | 0 | 0 | 0 | 115.3 | ||||
| 92 | A | 31.3 | Very low | 34.5 | Very low | 104 Ų | 104 | 148.4 Ų | 148.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -158.4 | 135.9 | 136 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 93 | L | 34.8 | Very low | 35.4 | Very low | 172 Ų | 172 | 151.6 Ų | 151.6 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | trans | -93.4 | 135.9 | 167.5 | -73.6 | 158.7 | 0 | 0 | 0 | 108.8 | ||||
| 94 | H | 30.4 | Very low | 36.4 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 118.1 | 164.3 | -158.6 | 98.2 | 0 | 0 | 0 | 109.8 | D96 | H94-D96 IonicContact CD2-OD2 3.71Å; H94-D96 IonicContact CE1-OD2 3.76Å; H94-D96 IonicContact NE2-OD2 2.78Å; H94-D96 PolarHBondContact NE2-OD2 2.91Å | ||
| 95 | L | 37.4 | Very low | 36.9 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 134.9 | 161.1 | -88.9 | 77.1 | 0 | 0 | 0 | 106.9 | ||||
| 96 | D | 31.1 | Very low | 37.4 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | -148.5 | 149.1 | 151.7 | -111.5 | -41.3 | 0 | 0 | 0 | 114.2 | H94 | H94-D96 IonicContact CD2-OD2 3.71Å; H94-D96 IonicContact CE1-OD2 3.76Å; H94-D96 IonicContact NE2-OD2 2.78Å; H94-D96 PolarHBondContact NE2-OD2 2.91Å | ||
| 97 | L | 37.6 | Very low | 37.6 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -98.4 | 116.2 | 175.7 | -91.7 | 68.1 | 0 | 0 | 0 | 109.2 | ||||
| 98 | E | 34.4 | Very low | 37.9 | Very low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -135.8 | 106.9 | 164 | -70.6 | -158.4 | 138 | 0 | 0 | 113.6 | ||||
| 99 | K | 38.6 | Very low | 38.4 | Very low | 217 Ų | 217 | 154.5 Ų | 154.5 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | trans | -144.2 | 83.6 | 144.6 | -76.9 | -159.4 | 177.2 | -176.3 | 0 | 109.3 | ||||
| 100 | R | 43 | Very low | 38.8 | Very low | 236 Ų | 236 | 154.1 Ų | 154.1 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -125.8 | 150.7 | 157.3 | -71.3 | -173.6 | 178.6 | 117.7 | -2.7 | 107.3 | ||||
| 101 | D | 54.5 | Low | 38.6 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 67% | 0.668 | 81% | 0.814 | S | S | * | * | trans | -98.3 | 156.8 | -178.6 | 56.8 | -24.6 | 0 | 0 | 0 | 112.8 | N103 G104 | D101-N103 PolarHBondContact O-N 2.62Å; D101-G104 PolarHBondContact O-N 3.45Å | ||
| 102 | L | 51.9 | Low | 38.7 | Very low | 179 Ų | 179 | 158.2 Ų | 158.2 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 6.4 | -159.1 | -76.6 | 159.2 | 0 | 0 | 0 | 116.2 | ||
| 103 | N | 49 | Very low | 38.7 | Very low | 150 Ų | 150 | 161.1 Ų | 161.1 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.9 | 4.8 | 179.1 | -73.8 | 81.3 | 0 | 0 | 0 | 114.1 | D101 N105 | D101-N103 PolarHBondContact O-N 2.62Å; N103-N105 PolarHBondContact O-N 2.92Å; N103-N105 VanDerWaalsContact O-N 3.14Å |
| 104 | G | 49.9 | Very low | 38.6 | Very low | 66 Ų | 66 | 161.8 Ų | 161.8 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | trans | 66.4 | 20 | 154.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | D101 | D101-G104 PolarHBondContact O-N 3.45Š| ||
| 105 | N | 39.7 | Very low | 38.6 | Very low | 142 Ų | 142 | 161.3 Ų | 161.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -121.7 | 133.3 | -176.2 | -120.2 | 5.4 | 0 | 0 | 0 | 113 | N103 T107 | N103-N105 PolarHBondContact O-N 2.92Å; N103-N105 VanDerWaalsContact O-N 3.14Å; N105-T107 PolarHBondContact O-N 2.78Å | ||
| 106 | F | 40.8 | Very low | 38.1 | Very low | 189 Ų | 189 | 162.6 Ų | 162.6 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 116.5 | 176.3 | -75.5 | -90.8 | 0 | 0 | 0 | 111.2 | ||
| 107 | T | 34 | Very low | 37.8 | Very low | 144 Ų | 144 | 161.2 Ų | 161.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 121.7 | 172.7 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | N105 | N105-T107 PolarHBondContact O-N 2.78Š|
| 108 | T | 37.3 | Very low | 37.3 | Very low | 133 Ų | 133 | 159.4 Ų | 159.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 153.1 | 170.7 | 40.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 109 | K | 38.9 | Very low | 37 | Very low | 182 Ų | 182 | 161.7 Ų | 161.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -15.7 | 156.4 | 176.1 | -52.9 | 178.7 | -178.5 | 179.9 | 0 | 118.9 | ||||
| 110 | P | 36.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 156.2 Ų | 156.2 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | trans | -117.5 | 137.7 | 137.8 | 33.7 | -24.3 | 0 | 0 | 0 | 113.3 | ||||
| 111 | F | 30 | Very low | 36.1 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | trans | -92.4 | 148.8 | 149.4 | -97.6 | -93.1 | 0 | 0 | 0 | 107.6 | ||||
| 112 | H | 31.5 | Very low | 35.9 | Very low | 193 Ų | 193 | 150 Ų | 150 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -162.1 | 147.8 | 135.8 | -110.7 | -71.9 | 0 | 0 | 0 | 112.3 | ||||
| 113 | H | 32.1 | Very low | 34.8 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -74 | 155.5 | -177.8 | -80.2 | -64.6 | 0 | 0 | 0 | 114.6 | ||||
| 114 | H | 31 | Very low | 34 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -132.1 | 157.7 | 137.1 | -148.2 | 53.9 | 0 | 0 | 0 | 110.7 | ||||
| 115 | H | 30.2 | Very low | 33 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 68% | 0.676 | 79% | 0.791 | S | S | * | * | trans | -145.7 | 125 | -155.7 | -167.7 | -63.5 | 0 | 0 | 0 | 111.4 | ||||
| 116 | Q | 26.8 | Very low | 32.9 | Very low | 177 Ų | 177 | 154.4 Ų | 154.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | trans | -170 | 95.9 | 163.5 | -105.5 | 167.8 | 13.6 | 0 | 0 | 108.1 | ||||
| 117 | T | 25.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | 66.1 | 113 | 94.4 | 59.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 118 | V | 28.4 | Very low | 32.8 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 74% | 0.739 | 79% | 0.788 | S | S | * | * | 162.4 | 121.6 | 113.9 | 159.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 119 | R | 27.5 | Very low | 33.2 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 55.5 | 147.8 | 155.9 | -72.3 | 173.3 | 176.3 | 170.6 | -3.1 | 119.7 | ||||
| 120 | S | 29.6 | Very low | 33 | Very low | 103 Ų | 103 | 149.5 Ų | 149.5 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -167.9 | 141.5 | -8.6 | 40.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 121 | S | 33.7 | Very low | 32.6 | Very low | 116 Ų | 116 | 150.4 Ų | 150.4 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -100.6 | 177.2 | 156.1 | -41.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 122 | P | 49.2 | Very low | 32.5 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | cis | -143.2 | -169.8 | 30.6 | 43.1 | -21.1 | 0 | 0 | 0 | 117.5 | ||||
| 123 | D | 30.1 | Very low | 32.7 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | trans | -43.6 | 164.3 | 177.2 | -49.2 | -78.4 | 0 | 0 | 0 | 118.3 | ||||
| 124 | L | 32.1 | Very low | 32.5 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | -174.2 | 129.1 | 108.8 | -94.2 | 167.2 | 0 | 0 | 0 | 114.1 | |||||
| 125 | E | 28.1 | Very low | 32.8 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 45.9 | 142.3 | 141.7 | -68.9 | -178.9 | 145.5 | 0 | 0 | 126 | ||||
| 126 | L | 37.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -61.8 | 153.5 | 162.7 | -74.9 | 157.6 | 0 | 0 | 0 | 111.7 | ||||
| 127 | P | 35.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | -151.2 | 165 | 83.4 | 38.9 | -20.2 | 0 | 0 | 0 | 117.1 | |||||
| 128 | S | 37 | Very low | 34 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -95.1 | 153.6 | 155.2 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 129 | P | 46.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -151.7 | -165 | 100.6 | 39.2 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 130 | Q | 33.5 | Very low | 34.4 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -88.7 | 167.2 | -161 | -54.7 | 166.8 | -46.2 | 0 | 0 | 116.8 | ||||
| 131 | T | 29.9 | Very low | 34.4 | Very low | 148 Ų | 148 | 138 Ų | 138 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -173.2 | 150.6 | 140.4 | 16.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 132 | G | 27.3 | Very low | 34.4 | Very low | 57 Ų | 57 | 143.1 Ų | 143.1 | 59% | 0.588 | 79% | 0.786 | S | S | * | * | cis | 155.5 | 131 | -9.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 133 | F | 34.5 | Very low | 33.4 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | 74.2 | 148.9 | 166 | -55.1 | -81.4 | 0 | 0 | 0 | 118.8 | ||||
| 134 | T | 29.8 | Very low | 35 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | cis | -150.6 | 157.3 | 9.6 | -21.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 135 | Q | 35.8 | Very low | 35.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -94.5 | -167.7 | 164.2 | -119 | -174.9 | 25 | 0 | 0 | 110.3 | ||||
| 136 | P | 45.4 | Very low | 36 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -131 | -175.3 | 15.9 | 41.6 | -22.4 | 0 | 0 | 0 | 114.1 | ||||
| 137 | G | 29.7 | Very low | 36.7 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 78% | 0.782 | S | S | * | * | cis | 175.7 | -175.9 | 12.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 138 | A | 32.2 | Very low | 36.5 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -161.8 | 158.8 | 0.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 139 | M | 32.8 | Very low | 36.3 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | trans | 61.9 | 144.9 | 152.5 | -99.7 | 160.9 | 163.5 | 0 | 0 | 120.1 | ||||
| 140 | E | 31.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 54% | 0.537 | 78% | 0.777 | S | S | . | * | cis | -163.7 | 150.5 | 11.4 | -163.6 | 157 | -159.9 | 0 | 0 | 114.4 | ||||
| 141 | R | 30.3 | Very low | 35.6 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 40.6 | 134.2 | 159.2 | -66.2 | 164.3 | -146.5 | -130.1 | 9.6 | 121.5 | ||||
| 142 | R | 33.4 | Very low | 35.6 | Very low | 223 Ų | 223 | 131.8 Ų | 131.8 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | cis | 101.2 | 88 | 12.6 | -152.8 | -161.7 | -74.8 | -168.9 | -0.2 | 119.3 | ||||
| 143 | D | 28.4 | Very low | 35.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 61.5 | -176.1 | 136.3 | -38.5 | -35.4 | 0 | 0 | 0 | 123.2 | ||||
| 144 | P | 63.1 | Low | 35.8 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -131.4 | -172 | -107 | 44.3 | -23.3 | 0 | 0 | 0 | 115.1 | |||||
| 145 | P | 48.1 | Very low | 35.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -161.6 | -159.2 | 83.4 | 43.8 | -19.8 | 0 | 0 | 0 | 117.3 | |||||
| 146 | S | 33.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -95.9 | -166.1 | 175.7 | -32.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 147 | P | 53.2 | Low | 35.4 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | -140.6 | -166.8 | -12.4 | 40.8 | -19.9 | 0 | 0 | 0 | 116.3 | ||||
| 148 | S | 31.5 | Very low | 35.7 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | 115.3 | 120.6 | 141.2 | 77.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 149 | S | 32.8 | Very low | 35.9 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 51.4 | 129.5 | 133.7 | 64.7 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 150 | A | 31.5 | Very low | 36.1 | Very low | 89 Ų | 89 | 131.2 Ų | 131.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | 116.3 | 122.5 | 122.4 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 151 | L | 34.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | 69.2 | 112.8 | 143.9 | -94.2 | 75.3 | 0 | 0 | 0 | 125.1 | ||||
| 152 | S | 28.9 | Very low | 36.5 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | 72.4 | 117.7 | 119.5 | -164.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 153 | S | 31.9 | Very low | 36.7 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | -170.9 | 126.1 | 120.6 | 51.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 154 | Q | 34.2 | Very low | 37.4 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | 61.2 | 132.9 | 146.6 | -58.6 | -178.2 | 8.6 | 0 | 0 | 122.3 | ||||
| 155 | A | 30 | Very low | 36 | Very low | 91 Ų | 91 | 129.4 Ų | 129.4 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | -100.8 | 163.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 156 | P | 37.8 | Very low | 35.5 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -140.3 | 168.1 | 67.9 | 33.2 | -13.1 | 0 | 0 | 0 | 116.4 | |||||
| 157 | T | 35.8 | Very low | 36.1 | Very low | 133 Ų | 133 | 135.2 Ų | 135.2 | 82% | 0.816 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 156.9 | 175.3 | 49.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 158 | P | 34 | Very low | 35.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -138.2 | 157.2 | 92.5 | 36.4 | -23.4 | 0 | 0 | 0 | 115.9 | |||||
| 159 | A | 38 | Very low | 36.1 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | 21.3 | 110.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 160 | V | 37.1 | Very low | 37.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -107.8 | 117.4 | 156.9 | 175.2 | 0 | 0 | 0 | 0 | 108.2 | R162 | V160-R162 PolarHBondContact O-N 2.84Š| ||
| 161 | D | 36.6 | Very low | 39.7 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.8 | 165.3 | -87.7 | -43.4 | 0 | 0 | 0 | 109.5 | ||
| 162 | R | 33.1 | Very low | 42.5 | Very low | 228 Ų | 228 | 133.2 Ų | 133.2 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 133.2 | 161.5 | -87.2 | 178.5 | 76.3 | -174 | 4.1 | 108 | V160 Q164 | V160-R162 PolarHBondContact O-N 2.84Å; R162-Q164 PolarHBondContact O-N 2.86Å |
| 163 | P | 37.4 | Very low | 45.6 | Very low | 121 Ų | 121 | 128.5 Ų | 128.5 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57 | 142.4 | 178.6 | -21.7 | 31.7 | 0 | 0 | 0 | 111 | G165 | P163-G165 PolarHBondContact O-N 2.69Å; P163-G165 VanDerWaalsContact O-N 3.08Å |
| 164 | Q | 43.2 | Very low | 48.7 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 91% | 0.911 | 73% | 0.727 | S | S | * | * | trans | -54.8 | 114.7 | 165.6 | -71 | 168.3 | -59.1 | 0 | 0 | 108.2 | R162 | R162-Q164 PolarHBondContact O-N 2.86Š| ||
| 165 | G | 33.5 | Very low | 51.8 | Low | 71 Ų | 71 | 116.2 Ų | 116.2 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | trans | -83.4 | 130 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | P163 | P163-G165 PolarHBondContact O-N 2.69Å; P163-G165 VanDerWaalsContact O-N 3.08Å | ||
| 166 | D | 36.8 | Very low | 55 | Low | 159 Ų | 159 | 114.3 Ų | 114.3 | 85% | 0.85 | 66% | 0.659 | S | S | * | * | trans | -49.8 | 141.7 | -174.4 | -62.3 | -66.4 | 0 | 0 | 0 | 113.6 | K168 | D166-K168 PolarHBondContact O-N 3.36Š| ||
| 167 | E | 46.8 | Very low | 57.9 | Low | 199 Ų | 199 | 108.4 Ų | 108.4 | 93% | 0.93 | 62% | 0.621 | S | S | * | * | trans | -62.9 | 95.1 | 173.8 | -63.8 | -178.5 | 129.4 | 0 | 0 | 110.4 | E169 | E167-E169 PolarHBondContact O-N 2.92Š| ||
| 168 | K | 40.3 | Very low | 60.8 | Low | 194 Ų | 194 | 102.1 Ų | 102.1 | 84% | 0.843 | 58% | 0.582 | S | S | * | * | trans | -69.3 | 117.7 | 157.3 | -77.9 | -171.1 | 174.1 | -174.7 | 0 | 108.1 | D166 G170 | D166-K168 PolarHBondContact O-N 3.36Å; K168-G170 PolarHBondContact O-N 2.83Å; K168-G170 VanDerWaalsContact O-N 3.07Å | ||
| 169 | E | 44.3 | Very low | 63.9 | Low | 194 Ų | 194 | 96.4 Ų | 96.4 | 91% | 0.907 | 55% | 0.545 | S | S | * | . | trans | -47.5 | 119 | 160.7 | -73.5 | -168.8 | 124.5 | 0 | 0 | 108.6 | E167 G171 | E167-E169 PolarHBondContact O-N 2.92Å; E169-G171 PolarHBondContact O-N 3.35Å; E169-G171 VanDerWaalsContact O-N 3.1Å | ||
| 170 | G | 59.3 | Low | 66.6 | Low | 69 Ų | 69 | 93 Ų | 93 | 71% | 0.711 | 51% | 0.512 | S | S | * | . | trans | -65.5 | 112.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K168 | K168-G170 PolarHBondContact O-N 2.83Å; K168-G170 VanDerWaalsContact O-N 3.07Å | ||
| 171 | G | 80.6 | Confident | 69.4 | Low | 59 Ų | 59 | 87.8 Ų | 87.8 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | trans | -60.5 | 154.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E169 G173 | E169-G171 PolarHBondContact O-N 3.35Å; E169-G171 VanDerWaalsContact O-N 3.1Å; G171-G173 PolarHBondContact O-N 2.84Å | ||
| 172 | L | 91.9 | Very high | 72.1 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 18% | 0.178 | 45% | 0.452 | C | S | . | . | trans | -83.6 | 23 | -173.4 | -48 | 176.8 | 0 | 0 | 0 | 113.4 | T199 I272 I295 K297 | L172-T199 VanDerWaalsContact CD2-OG1 3.24Å; L172-T199 WeakPolarHBondContact CD2-OG1 3.12Å; L172-I272 WeakPolarHBondContact CD1-O 3.42Å; L172-I295 HydrophobicContact CB-CB 4.35Å; L172-I295 HydrophobicContact CB-CG2 4.05Å; L172-K297 HydrophobicContact CD1-CB 3.72Å; L172-K297 HydrophobicContact CD1-CG 4.19Å | ||
| 173 | G | 94.9 | Very high | 74.8 | Confident | 11 Ų | 11 | 76 Ų | 76 | 11% | 0.113 | 44% | 0.439 | C | S | . | . | trans | 90.6 | -179.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G171 H196 G197 I295 | G171-G173 PolarHBondContact O-N 2.84Å; G173-H196 CarbonylContact C-O 3.34Å; G173-H196 WeakPolarHBondContact CA-O 3.22Å; G173-G197 WeakPolarHBondContact CA-O 3.46Å; G173-G197 PolarHBondContact N-O 2.86Å; G173-I295 WeakPolarHBondContact O-CB 3.45Å; G173-I295 PolarHBondContact O-N 2.78Å | ||
| 174 | T | 97.3 | Very high | 77.3 | Confident | 40 Ų | 40 | 79.3 Ų | 79.3 | 25% | 0.245 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.1 | -179 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | A195 H196 S292 | T174-A195 CarbonylContact O-C 3.5Å; T174-A195 WeakPolarHBondContact O-CA 3.36Å; T174-A195 WeakPolarHBondContact O-CB 3.43Å; T174-H196 PolarHBondContact N-O 2.83Å; T174-H196 PolarHBondContact O-N 2.85Å; T174-S292 WeakPolarHBondContact CG2-OG 3.4Å |
| 175 | L | 98.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 128.7 | 179 | 179.1 | 61.3 | 0 | 0 | 0 | 111.3 | F177 I192 A195 I212 F258 S292 R293 I295 | L175-F177 HydrophobicContact CD2-CD1 4.39Å; L175-F177 HydrophobicContact CG-CD1 4.06Å; L175-I192 HydrophobicContact CD1-CG2 4.28Å; L175-A195 HydrophobicContact CD1-CB 4.2Å; L175-I212 HydrophobicContact CD1-CD1 3.39Å; L175-I212 HydrophobicContact CD2-CD1 4.24Å; L175-I212 HydrophobicContact CG-CD1 4.47Å; L175-F258 HydrophobicContact CD2-CB 3.69Å; L175-F258 HydrophobicContact CD2-CD1 3.85Å; L175-F258 HydrophobicContact CD2-CD2 4.06Å; L175-F258 HydrophobicContact CD2-CE1 4.46Å; L175-F258 HydrophobicContact CD2-CG 3.61Å; L175-S292 WeakPolarHBondContact O-CA 3.24Å; L175-R293 PolarHBondContact N-O 2.9Å; L175-R293 PolarHBondContact O-N 3.34Å; L175-I295 HydrophobicContact CB-CD1 4.38Å; L175-I295 HydrophobicContact CB-CG1 4.14Å |
| 176 | H | 98.3 | Very high | 82.1 | Confident | 50 Ų | 50 | 80.3 Ų | 80.3 | 23% | 0.231 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.3 | 177.4 | -61.3 | -93.8 | 0 | 0 | 0 | 111.1 | K193 E194 H196 S292 | H176-K193 WeakPolarHBondContact O-CB 3.36Å; H176-K193 PolarHBondContact O-N 2.94Å; H176-E194 HydrophobicContact CB-CG 4.04Å; H176-E194 PolarHBondContact N-O 2.91Å; H176-E194 PolarHBondContact O-N 2.75Å; H176-H196 AromaticContact CD2-CD2 3.73Å; H176-H196 AromaticContact NE2-CD2 3.71Å; H176-S292 PolarHBondContact CE1-OG 2.88Å |
| 177 | F | 98.4 | Very high | 84.8 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 0% | 0.004 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 170.9 | -177.4 | 61.9 | -75.3 | 0 | 0 | 0 | 110.9 | L175 L179 H191 F258 V277 M291 R293 | L175-F177 HydrophobicContact CD2-CD1 4.39Å; L175-F177 HydrophobicContact CG-CD1 4.06Å; F177-L179 HydrophobicContact CD2-CD2 3.89Å; F177-L179 HydrophobicContact CD2-CG 4.32Å; F177-L179 HydrophobicContact CE2-CD1 4.49Å; F177-L179 HydrophobicContact CE2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CG 4.16Å; F177-H191 CarbonylContact C-O 3.37Å; F177-H191 WeakPolarHBondContact CA-O 3.36Å; F177-H191 VanDerWaalsContact CB-O 3.27Å; F177-H191 WeakPolarHBondContact CB-O 3.46Å; F177-F258 HydrophobicContact CD1-CZ 4.43Å; F177-F258 HydrophobicContact CD2-CE2 4.17Å; F177-F258 AromaticContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CE1-CE2 4.22Å; F177-F258 HydrophobicContact CE1-CZ 4.49Å; F177-F258 AromaticContact CE2-CE2 3.75Å; F177-F258 HydrophobicContact CE2-CE2 3.75Å; F177-F258 AromaticContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CG-CZ 4.05Å; F177-F258 AromaticContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CZ 4.15Å; F177-V277 HydrophobicContact CZ-CG1 4.37Å; F177-V277 HydrophobicContact CZ-CG2 3.92Å; F177-M291 HydrophobicContact CE1-CB 4.01Å; F177-M291 HydrophobicContact CE2-CB 4.17Å; F177-M291 HydrophobicContact CE2-CE 3.54Å; F177-M291 HydrophobicContact CZ-CB 3.8Å; F177-M291 HydrophobicContact CZ-CE 3.7Å; F177-M291 PolarHBondContact N-O 2.9Å; F177-M291 PolarHBondContact O-N 2.85Å; F177-M291 VanDerWaalsContact O-O 3.1Å; F177-R293 HydrophobicContact CE1-CB 4.27Å; F177-R293 HydrophobicContact CE1-CG 3.85Å; F177-R293 HydrophobicContact CZ-CG 4.11Å |
| 178 | S | 97.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.014 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.5 | 171.5 | 52.2 | 0 | 0 | 0 | 0 | 112.4 | H191 V289 | S178-H191 PolarHBondContact N-O 3.27Å; S178-H191 PolarHBondContact O-N 2.94Å; S178-V289 CarbonylContact C-O 3.54Å; S178-V289 WeakPolarHBondContact CA-O 3.49Å; S178-V289 VanDerWaalsContact CB-O 3.22Å; S178-V289 WeakPolarHBondContact CB-O 3.29Å |
| 179 | L | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143 | 177.2 | -56 | -171 | 0 | 0 | 0 | 109.8 | F177 F188 I189 V190 L256 L279 I282 L284 R288 V289 M291 | F177-L179 HydrophobicContact CD2-CD2 3.89Å; F177-L179 HydrophobicContact CD2-CG 4.32Å; F177-L179 HydrophobicContact CE2-CD1 4.49Å; F177-L179 HydrophobicContact CE2-CD2 3.96Å; F177-L179 HydrophobicContact CE2-CG 4.16Å; L179-F188 HydrophobicContact CB-CE2 4.23Å; L179-F188 HydrophobicContact CD1-CE2 4.46Å; L179-F188 HydrophobicContact CD1-CZ 4.23Å; L179-F188 HydrophobicContact CD2-CE2 4.37Å; L179-F188 HydrophobicContact CD2-CZ 4.04Å; L179-I189 WeakPolarHBondContact CA-O 3.08Å; L179-V190 HydrophobicContact CD2-CB 4.26Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; L179-V190 HydrophobicContact CD2-CG2 3.91Å; L179-L256 HydrophobicContact CD1-CD1 4.16Å; L179-L256 HydrophobicContact CD2-CD1 3.47Å; L179-L256 VanDerWaalsContact CD2-CD1 3.47Å; L179-L256 HydrophobicContact CG-CD1 4.48Å; L179-L279 HydrophobicContact CD1-CD2 3.59Å; L179-I282 HydrophobicContact CD1-CD1 4.08Å; L179-L284 HydrophobicContact CB-CD2 3.72Å; L179-R288 CarbonylContact O-C 3.49Å; L179-R288 WeakPolarHBondContact O-CA 3.2Å; L179-V289 PolarHBondContact N-O 2.87Å; L179-V289 PolarHBondContact O-N 2.86Å; L179-M291 HydrophobicContact CD1-CE 3.36Å; L179-M291 HydrophobicContact CG-CE 3.87Å |
| 180 | E | 96 | Very high | 92.2 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 15% | 0.15 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 143.9 | 179.8 | -175.3 | -174.5 | 125.4 | 0 | 0 | 108.7 | Q182 I189 R288 | E180-Q182 PolarHBondContact OE1-NE2 2.7Å; E180-I189 HydrophobicContact CB-CB 4.3Å; E180-I189 PolarHBondContact N-O 3.2Å; E180-I189 PolarHBondContact O-N 3.24Å; E180-R288 HydrophobicContact CB-CB 4.37Å; E180-R288 HydrophobicContact CB-CG 4.48Å; E180-R288 HydrophobicContact CG-CB 4.38Å; E180-R288 IonicContact OE2-CZ 3.73Å; E180-R288 IonicContact OE2-NE 3.9Å; E180-R288 PolarHBondContact OE2-NE 3.09Å; E180-R288 IonicContact OE2-NH2 3.56Å; E180-R288 PolarHBondContact OE2-NH2 2.79Å |
| 181 | Y | 95.5 | Very high | 94.1 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 9% | 0.094 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.6 | 173.7 | -171.4 | -93.8 | 0 | 0 | 0 | 111.4 | A183 K186 F188 I246 P247 L248 V251 | Y181-A183 HydrophobicContact CD1-CB 4.43Å; Y181-A183 HydrophobicContact CE1-CB 4.21Å; Y181-K186 WeakPolarHBondContact OH-CA 3.26Å; Y181-F188 HydrophobicContact CD2-CB 4.03Å; Y181-F188 HydrophobicContact CE2-CB 4.34Å; Y181-I246 VanDerWaalsContact CE2-O 3.24Å; Y181-I246 WeakPolarHBondContact CE2-O 3.47Å; Y181-I246 PolarHBondContact OH-O 2.98Å; Y181-P247 WeakPolarHBondContact OH-CA 3.48Å; Y181-L248 HydrophobicContact CD1-CB 4.03Å; Y181-L248 HydrophobicContact CD1-CD1 3.8Å; Y181-L248 HydrophobicContact CD1-CD2 4.48Å; Y181-L248 HydrophobicContact CD1-CG 4.31Å; Y181-L248 HydrophobicContact CD2-CD1 4.24Å; Y181-L248 HydrophobicContact CE1-CB 3.63Å; Y181-L248 HydrophobicContact CE1-CD1 4.3Å; Y181-L248 HydrophobicContact CE1-CG 4.41Å; Y181-L248 HydrophobicContact CE2-CB 4.47Å; Y181-L248 HydrophobicContact CG-CD1 3.77Å; Y181-L248 PolarHBondContact OH-N 3.49Å; Y181-L248 VanDerWaalsContact OH-N 3.08Å; Y181-V251 HydrophobicContact CD2-CG2 3.95Å; Y181-V251 HydrophobicContact CE2-CG2 3.94Å |
| 182 | Q | 93.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 97.9 | 178.1 | -67.9 | -174.1 | 0.1 | 0 | 0 | 110 | E180 E184 R185 K186 A187 I189 | E180-Q182 PolarHBondContact OE1-NE2 2.7Å; Q182-E184 PolarHBondContact O-N 2.97Å; Q182-R185 HydrophobicContact CB-CB 4.48Å; Q182-R185 PolarHBondContact O-N 3.01Å; Q182-K186 PolarHBondContact O-N 2.84Å; Q182-A187 PolarHBondContact N-O 2.98Å; Q182-A187 PolarHBondContact O-N 2.81Å; Q182-A187 VanDerWaalsContact O-N 3.15Å; Q182-I189 HydrophobicContact CG-CD1 3.77Å; Q182-I189 VanDerWaalsContact NE2-CD1 3.33Å |
| 183 | A | 89.8 | Confident | 95.2 | Very high | 73 Ų | 73 | 42.1 Ų | 42.1 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -58.9 | -42.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y181 R185 K186 | Y181-A183 HydrophobicContact CD1-CB 4.43Å; Y181-A183 HydrophobicContact CE1-CB 4.21Å; A183-R185 PolarHBondContact O-N 2.81Å; A183-K186 PolarHBondContact O-N 3.1Å; A183-K186 VanDerWaalsContact O-N 3.16Å |
| 184 | E | 89.1 | Confident | 95.4 | Very high | 191 Ų | 191 | 44.9 Ų | 44.9 | 89% | 0.893 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -53.7 | -38.8 | 176.9 | -60.6 | 179.1 | 174.9 | 0 | 0 | 112.9 | Q182 | Q182-E184 PolarHBondContact O-N 2.97Š|
| 185 | R | 88.3 | Confident | 95.4 | Very high | 154 Ų | 154 | 43 Ų | 43 | 58% | 0.581 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -99.7 | -3.9 | -175 | -63.2 | -180 | -179 | -112.8 | -5.2 | 113.1 | Q182 A183 A187 Y244 | Q182-R185 HydrophobicContact CB-CB 4.48Å; Q182-R185 PolarHBondContact O-N 3.01Å; A183-R185 PolarHBondContact O-N 2.81Å; R185-A187 HydrophobicContact CB-CB 3.88Å; R185-A187 PolarHBondContact O-N 3.36Å; R185-Y244 HydrophobicContact CB-CE1 4.46Å |
| 186 | K | 90.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 46.5 Ų | 46.5 | 58% | 0.578 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 47.8 | -168.3 | -59.5 | -179.7 | -178.3 | 178.6 | 0 | 111.1 | Y181 Q182 A183 G245 I246 | Y181-K186 WeakPolarHBondContact OH-CA 3.26Å; Q182-K186 PolarHBondContact O-N 2.84Å; A183-K186 PolarHBondContact O-N 3.1Å; A183-K186 VanDerWaalsContact O-N 3.16Å; K186-G245 PolarHBondContact O-N 2.72Å; K186-I246 PolarHBondContact O-N 2.66Å |
| 187 | A | 92.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 121.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q182 R185 F243 Y244 | Q182-A187 PolarHBondContact N-O 2.98Å; Q182-A187 PolarHBondContact O-N 2.81Å; Q182-A187 VanDerWaalsContact O-N 3.15Å; R185-A187 HydrophobicContact CB-CB 3.88Å; R185-A187 PolarHBondContact O-N 3.36Å; A187-F243 WeakPolarHBondContact CA-O 3.25Å; A187-Y244 HydrophobicContact CB-CD1 3.69Å; A187-Y244 HydrophobicContact CB-CE1 3.8Å; A187-Y244 HydrophobicContact CB-CG 4.42Å |
| 188 | F | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 127.3 | 169.7 | 174.9 | -130.1 | 0 | 0 | 0 | 109.3 | L179 Y181 V190 L216 F243 V251 L256 L279 L284 | L179-F188 HydrophobicContact CB-CE2 4.23Å; L179-F188 HydrophobicContact CD1-CE2 4.46Å; L179-F188 HydrophobicContact CD1-CZ 4.23Å; L179-F188 HydrophobicContact CD2-CE2 4.37Å; L179-F188 HydrophobicContact CD2-CZ 4.04Å; Y181-F188 HydrophobicContact CD2-CB 4.03Å; Y181-F188 HydrophobicContact CE2-CB 4.34Å; F188-V190 HydrophobicContact CD1-CG2 4.37Å; F188-V190 HydrophobicContact CE1-CG2 3.81Å; F188-V190 HydrophobicContact CZ-CG2 3.94Å; F188-L216 HydrophobicContact CE1-CD1 4.18Å; F188-F243 HydrophobicContact CB-CB 4.45Å; F188-F243 HydrophobicContact CD1-CD2 4.17Å; F188-F243 PolarHBondContact N-O 2.83Å; F188-F243 PolarHBondContact O-N 2.98Å; F188-V251 HydrophobicContact CD2-CG1 4.16Å; F188-V251 HydrophobicContact CE2-CG1 4.15Å; F188-V251 HydrophobicContact CG-CG1 4.42Å; F188-V251 HydrophobicContact CZ-CG1 4.38Å; F188-L256 HydrophobicContact CE1-CD1 4.26Å; F188-L256 HydrophobicContact CE1-CD2 4.04Å; F188-L256 HydrophobicContact CE1-CG 4.32Å; F188-L256 HydrophobicContact CZ-CD1 4.03Å; F188-L279 HydrophobicContact CD1-CD1 4.49Å; F188-L279 HydrophobicContact CE1-CD1 3.52Å; F188-L279 HydrophobicContact CE2-CD1 4.35Å; F188-L279 HydrophobicContact CZ-CD1 3.43Å; F188-L279 VanDerWaalsContact CZ-CD1 3.43Å; F188-L279 HydrophobicContact CZ-CD2 4.21Å; F188-L279 HydrophobicContact CZ-CG 4.5Å; F188-L284 HydrophobicContact CD2-CD1 3.98Å; F188-L284 HydrophobicContact CE2-CD1 3.6Å |
| 189 | I | 95.8 | Very high | 94.8 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.4 | -171.4 | -59.6 | -177.6 | 0 | 0 | 0 | 109.9 | L179 E180 Q182 T240 F241 | L179-I189 WeakPolarHBondContact CA-O 3.08Å; E180-I189 HydrophobicContact CB-CB 4.3Å; E180-I189 PolarHBondContact N-O 3.2Å; E180-I189 PolarHBondContact O-N 3.24Å; Q182-I189 HydrophobicContact CG-CD1 3.77Å; Q182-I189 VanDerWaalsContact NE2-CD1 3.33Å; I189-T240 HydrophobicContact CG2-CG2 3.49Å; I189-T240 VanDerWaalsContact CG2-CG2 3.49Å; I189-F241 WeakPolarHBondContact CA-O 3.17Å |
| 190 | V | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.2 | 175.2 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | L179 F188 I192 L214 F241 F243 L256 F258 | L179-V190 HydrophobicContact CD2-CB 4.26Å; L179-V190 HydrophobicContact CD2-CG1 3.94Å; L179-V190 HydrophobicContact CD2-CG2 3.91Å; F188-V190 HydrophobicContact CD1-CG2 4.37Å; F188-V190 HydrophobicContact CE1-CG2 3.81Å; F188-V190 HydrophobicContact CZ-CG2 3.94Å; V190-I192 HydrophobicContact CG1-CG1 4.4Å; V190-L214 HydrophobicContact CB-CD2 3.94Å; V190-L214 HydrophobicContact CG1-CD2 3.74Å; V190-L214 HydrophobicContact CG2-CD2 4.26Å; V190-F241 PolarHBondContact N-O 2.81Å; V190-F241 PolarHBondContact O-N 2.85Å; V190-F243 HydrophobicContact CB-CE2 4.35Å; V190-F243 HydrophobicContact CG2-CD2 4.21Å; V190-F243 HydrophobicContact CG2-CE2 3.79Å; V190-L256 HydrophobicContact CG1-CD1 4.21Å; V190-L256 HydrophobicContact CG2-CD1 3.82Å; V190-L256 HydrophobicContact CG2-CD2 3.88Å; V190-F258 HydrophobicContact CG1-CE1 4.03Å; V190-F258 HydrophobicContact CG1-CZ 3.96Å |
| 191 | H | 98.1 | Very high | 94 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.9 | 176.5 | 175.1 | -115.4 | 0 | 0 | 0 | 109.5 | F177 S178 D238 E239 T240 | F177-H191 CarbonylContact C-O 3.37Å; F177-H191 WeakPolarHBondContact CA-O 3.36Å; F177-H191 VanDerWaalsContact CB-O 3.27Å; F177-H191 WeakPolarHBondContact CB-O 3.46Å; S178-H191 PolarHBondContact N-O 3.27Å; S178-H191 PolarHBondContact O-N 2.94Å; H191-D238 IonicContact CE1-OD1 3.91Å; H191-D238 IonicContact NE2-OD1 2.76Å; H191-E239 CarbonylContact C-O 3.56Å; H191-E239 WeakPolarHBondContact CA-O 3.39Å; H191-E239 PolarHBondContact CD2-O 2.96Å; H191-T240 PolarHBondContact CD2-OG1 3.39Å |
| 192 | I | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 112.4 | 177.4 | -56.7 | -172.2 | 0 | 0 | 0 | 107.2 | L175 V190 I212 L214 T226 F237 D238 E239 F241 F258 | L175-I192 HydrophobicContact CD1-CG2 4.28Å; V190-I192 HydrophobicContact CG1-CG1 4.4Å; I192-I212 HydrophobicContact CD1-CB 4.44Å; I192-I212 HydrophobicContact CD1-CG2 4.09Å; I192-I212 HydrophobicContact CG2-CD1 4Å; I192-L214 HydrophobicContact CD1-CB 4.38Å; I192-L214 HydrophobicContact CD1-CD2 4.43Å; I192-T226 HydrophobicContact CD1-CG2 3.94Å; I192-T226 HydrophobicContact CG2-CG2 4.35Å; I192-F237 HydrophobicContact CG2-CB 4.11Å; I192-F237 HydrophobicContact CG2-CD2 3.79Å; I192-F237 HydrophobicContact CG2-CG 4.17Å; I192-D238 WeakPolarHBondContact O-CA 3.39Å; I192-D238 PolarHBondContact O-N 3.08Å; I192-E239 PolarHBondContact N-O 2.96Å; I192-E239 PolarHBondContact O-N 3.18Å; I192-F241 HydrophobicContact CD1-CD2 4.21Å; I192-F241 HydrophobicContact CD1-CE2 3.8Å; I192-F241 HydrophobicContact CG1-CD2 4.3Å; I192-F241 HydrophobicContact CG1-CE2 4.11Å; I192-F258 HydrophobicContact CD1-CD1 4Å; I192-F258 HydrophobicContact CD1-CE1 3.86Å; I192-F258 HydrophobicContact CG1-CE1 4.03Å |
| 193 | K | 97.8 | Very high | 92.7 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -75 | -178 | -66.3 | -179.9 | 163.8 | -158.6 | 0 | 110.1 | H176 A236 F237 D238 L290 | H176-K193 WeakPolarHBondContact O-CB 3.36Å; H176-K193 PolarHBondContact O-N 2.94Å; K193-A236 CarbonylContact O-C 3.2Å; K193-F237 WeakPolarHBondContact O-CA 3.36Å; K193-F237 PolarHBondContact O-N 3.11Å; K193-D238 PolarHBondContact O-N 3.5Å; K193-L290 HydrophobicContact CD-CD2 4.45Å; K193-L290 VanDerWaalsContact NZ-CD2 3.29Å |
| 194 | E | 98 | Very high | 92.3 | Very high | 69 Ų | 69 | 64.5 Ų | 64.5 | 32% | 0.322 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 161.3 | -168.3 | 64.3 | -154.3 | 144.7 | 0 | 0 | 110.7 | H176 H196 P235 A236 | H176-E194 HydrophobicContact CB-CG 4.04Å; H176-E194 PolarHBondContact N-O 2.91Å; H176-E194 PolarHBondContact O-N 2.75Å; E194-H196 IonicContact OE2-CE1 3.92Å; E194-H196 IonicContact OE2-NE2 3.83Å; E194-P235 CarbonylContact C-O 3.56Å; E194-P235 WeakPolarHBondContact CA-O 3.27Å; E194-P235 WeakPolarHBondContact CB-O 3.46Å; E194-A236 HydrophobicContact CB-CB 4.48Å |
| 195 | A | 98 | Very high | 92 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | T174 L175 L198 D234 P235 F237 I295 | T174-A195 CarbonylContact O-C 3.5Å; T174-A195 WeakPolarHBondContact O-CA 3.36Å; T174-A195 WeakPolarHBondContact O-CB 3.43Å; L175-A195 HydrophobicContact CD1-CB 4.2Å; A195-L198 HydrophobicContact CB-CD2 4.07Å; A195-L198 HydrophobicContact CB-CG 4.38Å; A195-D234 CarbonylContact O-C 3.56Å; A195-D234 VanDerWaalsContact O-CA 3.24Å; A195-D234 WeakPolarHBondContact O-CA 3.38Å; A195-P235 HydrophobicContact CB-CG 4.03Å; A195-P235 PolarHBondContact N-O 2.79Å; A195-P235 VanDerWaalsContact O-CD 3.28Å; A195-P235 WeakPolarHBondContact O-CD 3.33Å; A195-F237 HydrophobicContact CB-CE2 4.37Å; A195-I295 HydrophobicContact CB-CD1 4.38Å |
| 196 | H | 96.9 | Very high | 92.1 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 34% | 0.343 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.7 | -178.7 | -73.7 | -55.6 | 0 | 0 | 0 | 112.5 | G173 T174 H176 E194 L198 D234 | G173-H196 CarbonylContact C-O 3.34Å; G173-H196 WeakPolarHBondContact CA-O 3.22Å; T174-H196 PolarHBondContact N-O 2.83Å; T174-H196 PolarHBondContact O-N 2.85Å; H176-H196 AromaticContact CD2-CD2 3.73Å; H176-H196 AromaticContact NE2-CD2 3.71Å; E194-H196 IonicContact OE2-CE1 3.92Å; E194-H196 IonicContact OE2-NE2 3.83Å; H196-L198 PolarHBondContact O-N 2.72Å; H196-D234 WeakPolarHBondContact CA-OD1 3.44Å; H196-D234 IonicContact CG-OD1 3.78Å; H196-D234 IonicContact ND1-OD1 3.53Å; H196-D234 PolarHBondContact ND1-OD1 2.74Å |
| 197 | G | 94.6 | Very high | 92.2 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 59.9 | 38.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G173 L233 D234 | G173-G197 WeakPolarHBondContact CA-O 3.46Å; G173-G197 PolarHBondContact N-O 2.86Å; G197-L233 PolarHBondContact N-O 2.85Å; G197-D234 PolarHBondContact N-OD1 2.77Å |
| 198 | L | 96 | Very high | 92.3 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 149.3 | 174.3 | -61.6 | -177.6 | 0 | 0 | 0 | 111.2 | A195 H196 P210 L233 P235 V260 I272 I295 | A195-L198 HydrophobicContact CB-CD2 4.07Å; A195-L198 HydrophobicContact CB-CG 4.38Å; H196-L198 PolarHBondContact O-N 2.72Å; L198-P210 HydrophobicContact CD1-CB 3.62Å; L198-P210 HydrophobicContact CD1-CG 4.05Å; L198-L233 HydrophobicContact CB-CB 4.36Å; L198-L233 HydrophobicContact CB-CD2 4.45Å; L198-L233 WeakPolarHBondContact CB-O 3.4Å; L198-L233 WeakPolarHBondContact CG-O 3.44Å; L198-L233 PolarHBondContact N-O 3.17Å; L198-L233 WeakPolarHBondContact O-CD2 3.18Å; L198-P235 HydrophobicContact CD1-CG 3.68Å; L198-V260 HydrophobicContact CD1-CG1 4.24Å; L198-V260 HydrophobicContact CD2-CG1 4.14Å; L198-I272 HydrophobicContact CB-CD1 4.48Å; L198-I272 HydrophobicContact CD1-CD1 4.19Å; L198-I272 HydrophobicContact CD2-CG2 4.43Å; L198-I295 HydrophobicContact CD2-CD1 3.3Å |
| 199 | T | 91.8 | Very high | 92.4 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 34% | 0.344 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -71 | 133.3 | 172.9 | -47.2 | 0 | 0 | 0 | 0 | 110.5 | L172 S208 | L172-T199 VanDerWaalsContact CD2-OG1 3.24Å; L172-T199 WeakPolarHBondContact CD2-OG1 3.12Å; T199-S208 PolarHBondContact O-OG 3.35Å |
| 200 | P | 91.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 51 Ų | 51 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 138.4 | 172.9 | 28.6 | -34.8 | 0 | 0 | 0 | 111 | L233 | P200-L233 HydrophobicContact CB-CD1 4.35Å; P200-L233 HydrophobicContact CB-CD2 4.13Å |
| 201 | T | 86.4 | Confident | 92.5 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | trans | -102.8 | -29.5 | 177.7 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | T207 S208 S262 E270 I272 | T201-T207 PolarHBondContact N-O 2.89Å; T201-S208 PolarHBondContact N-OG 3.32Å; T201-S208 PolarHBondContact OG1-OG 3Å; T201-S262 WeakPolarHBondContact OG1-CB 3.26Å; T201-S262 PolarHBondContact OG1-OG 2.87Å; T201-E270 VanDerWaalsContact CB-OE2 3.29Å; T201-E270 WeakPolarHBondContact CB-OE2 3.34Å; T201-E270 HydrophobicContact CG2-CB 4.06Å; T201-E270 WeakPolarHBondContact CG2-OE2 3.28Å; T201-I272 HydrophobicContact CG2-CD1 4.38Å; T201-I272 HydrophobicContact CG2-CG1 3.85Å | ||
| 202 | D | 81.6 | Confident | 92.5 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -94.6 | 110.3 | 176.7 | 172.7 | 15.8 | 0 | 0 | 0 | 110.1 | Q204 S205 L206 T207 | D202-Q204 PolarHBondContact O-N 2.72Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.2Å; D202-Q204 PolarHBondContact OD1-N 2.76Å; D202-S205 VanDerWaalsContact CG-OG 3.27Å; D202-S205 PolarHBondContact OD1-N 3.35Å; D202-S205 WeakPolarHBondContact OD2-CB 3.48Å; D202-S205 PolarHBondContact OD2-N 2.79Å; D202-S205 PolarHBondContact OD2-OG 2.83Å; D202-L206 VanDerWaalsContact O-CA 3.29Å; D202-L206 WeakPolarHBondContact O-CA 3.38Å; D202-L206 PolarHBondContact O-N 3.5Å; D202-T207 PolarHBondContact N-O 3.01Å; D202-T207 VanDerWaalsContact N-O 3.14Å |
| 203 | E | 80.1 | Confident | 92.5 | Very high | 178 Ų | 178 | 51.8 Ų | 51.8 | 83% | 0.832 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.6 | 176.9 | -62.5 | -176.6 | 167.3 | 0 | 0 | 113.1 | ||
| 204 | Q | 81.6 | Confident | 92.4 | Very high | 186 Ų | 186 | 48.9 Ų | 48.9 | 87% | 0.869 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -40.3 | -176 | -60 | -173.4 | -0.4 | 0 | 0 | 112.6 | D202 | D202-Q204 PolarHBondContact O-N 2.72Å; D202-Q204 WeakPolarHBondContact OD1-CB 3.2Å; D202-Q204 PolarHBondContact OD1-N 2.76Å |
| 205 | S | 83.4 | Confident | 92.2 | Very high | 42 Ų | 42 | 46.5 Ų | 46.5 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -14.9 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 114 | D202 T207 | D202-S205 VanDerWaalsContact CG-OG 3.27Å; D202-S205 PolarHBondContact OD1-N 3.35Å; D202-S205 WeakPolarHBondContact OD2-CB 3.48Å; D202-S205 PolarHBondContact OD2-N 2.79Å; D202-S205 PolarHBondContact OD2-OG 2.83Å; S205-T207 PolarHBondContact O-N 3.32Å; S205-T207 PolarHBondContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.2Å |
| 206 | L | 89.9 | Confident | 91.8 | Very high | 120 Ų | 120 | 46.7 Ų | 46.7 | 63% | 0.628 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.2 | -168.9 | -58.3 | 175.7 | 0 | 0 | 0 | 112.3 | D202 | D202-L206 VanDerWaalsContact O-CA 3.29Å; D202-L206 WeakPolarHBondContact O-CA 3.38Å; D202-L206 PolarHBondContact O-N 3.5Å |
| 207 | T | 92.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -133.8 | 179.2 | 177 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | T201 D202 S205 K231 | T201-T207 PolarHBondContact N-O 2.89Å; D202-T207 PolarHBondContact N-O 3.01Å; D202-T207 VanDerWaalsContact N-O 3.14Å; S205-T207 PolarHBondContact O-N 3.32Å; S205-T207 PolarHBondContact OG-N 3.13Å; S205-T207 PolarHBondContact OG-OG1 3.2Å; T207-K231 HydrophobicContact CG2-CB 4.35Å; T207-K231 WeakPolarHBondContact OG1-CA 3.21Å |
| 208 | S | 94.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -132.7 | 161.7 | 171.2 | -68.9 | 0 | 0 | 0 | 0 | 109.9 | T199 T201 P210 K231 T232 S262 | T199-S208 PolarHBondContact O-OG 3.35Å; T201-S208 PolarHBondContact N-OG 3.32Å; T201-S208 PolarHBondContact OG1-OG 3Å; S208-P210 WeakPolarHBondContact O-CD 3.49Å; S208-K231 CarbonylContact O-C 3.55Å; S208-K231 VanDerWaalsContact O-CA 3.23Å; S208-K231 WeakPolarHBondContact O-CA 3.48Å; S208-K231 PolarHBondContact O-N 3.15Å; S208-T232 PolarHBondContact O-N 2.95Å; S208-S262 WeakPolarHBondContact CA-OG 3.19Å; S208-S262 WeakPolarHBondContact CB-OG 3.43Å | ||
| 209 | D | 96.9 | Very high | 88.9 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | trans | -105.8 | 69.5 | 168 | -82.4 | 3.4 | 0 | 0 | 0 | 108.9 | V228 L229 R230 K231 S262 F263 | D209-V228 HydrophobicContact CB-CG1 3.97Å; D209-L229 CarbonylContact C-O 3.52Å; D209-L229 WeakPolarHBondContact CA-O 3.35Å; D209-R230 WeakPolarHBondContact OD1-CA 3.49Å; D209-R230 WeakPolarHBondContact OD1-CB 3.5Å; D209-R230 IonicContact OD1-NE 2.74Å; D209-R230 IonicContact OD2-CZ 3.15Å; D209-R230 IonicContact OD2-NE 3.27Å; D209-R230 PolarHBondContact OD2-NE 2.82Å; D209-R230 IonicContact OD2-NH2 3.44Å; D209-R230 PolarHBondContact OD2-NH2 3.31Å; D209-K231 PolarHBondContact OD1-N 2.81Å; D209-S262 PolarHBondContact N-OG 2.81Å; D209-F263 HydrophobicContact CB-CB 4.11Å; D209-F263 WeakPolarHBondContact O-CB 3.37Å; D209-F263 PolarHBondContact O-N 3.09Å | ||
| 210 | P | 97.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 146 | -166.3 | 29.2 | -39.7 | 0 | 0 | 0 | 115.3 | L198 S208 L229 T232 P235 F237 L261 | L198-P210 HydrophobicContact CD1-CB 3.62Å; L198-P210 HydrophobicContact CD1-CG 4.05Å; S208-P210 WeakPolarHBondContact O-CD 3.49Å; P210-L229 WeakPolarHBondContact CD-O 3.47Å; P210-L229 VanDerWaalsContact N-O 3.12Å; P210-L229 PolarHBondContact O-N 2.82Å; P210-T232 VanDerWaalsContact CD-O 3.27Å; P210-T232 WeakPolarHBondContact CD-O 3.46Å; P210-T232 HydrophobicContact CG-CG2 3.79Å; P210-T232 WeakPolarHBondContact CG-O 3.35Å; P210-P235 HydrophobicContact CB-CB 4.41Å; P210-P235 HydrophobicContact CB-CG 4.04Å; P210-P235 HydrophobicContact CG-CB 3.66Å; P210-P235 HydrophobicContact CG-CG 3.65Å; P210-F237 HydrophobicContact CB-CZ 4.45Å; P210-L261 CarbonylContact C-O 3.52Å; P210-L261 VanDerWaalsContact CA-O 3.25Å; P210-L261 WeakPolarHBondContact CA-O 3.49Å |
| 211 | Y | 98.4 | Very high | 86.4 | Confident | 7 Ų | 7 | 63 Ų | 63 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 160.8 | 164.9 | 80.2 | -85.7 | 0 | 0 | 0 | 111.7 | K213 K225 R227 V228 L261 F263 D269 | Y211-K213 HydrophobicContact CD2-CG 4.47Å; Y211-K213 HydrophobicContact CE2-CD 4.34Å; Y211-K213 HydrophobicContact CE2-CG 3.73Å; Y211-K213 WeakPolarHBondContact OH-CE 3.45Å; Y211-K213 PolarHBondContact OH-NZ 3.19Å; Y211-K225 HydrophobicContact CE2-CD 3.94Å; Y211-R227 WeakPolarHBondContact CB-O 3.43Å; Y211-V228 HydrophobicContact CD1-CG2 3.95Å; Y211-V228 HydrophobicContact CG-CG2 4.1Å; Y211-L261 HydrophobicContact CD1-CB 4.26Å; Y211-L261 HydrophobicContact CE1-CB 3.9Å; Y211-L261 HydrophobicContact CE2-CD1 4.24Å; Y211-L261 PolarHBondContact N-O 2.79Å; Y211-L261 PolarHBondContact O-N 2.89Å; Y211-F263 HydrophobicContact CD1-CB 4.11Å; Y211-F263 HydrophobicContact CE1-CB 4.2Å; Y211-D269 HydrophobicContact CE1-CB 4.31Å; Y211-D269 WeakPolarHBondContact CE1-OD2 3.44Å; Y211-D269 PolarHBondContact OH-OD2 2.76Å |
| 212 | I | 98.2 | Very high | 86 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.7 | -176.8 | -58.9 | -175.4 | 0 | 0 | 0 | 110.6 | L175 I192 K225 T226 F237 F258 M259 V260 | L175-I212 HydrophobicContact CD1-CD1 3.39Å; L175-I212 HydrophobicContact CD2-CD1 4.24Å; L175-I212 HydrophobicContact CG-CD1 4.47Å; I192-I212 HydrophobicContact CD1-CB 4.44Å; I192-I212 HydrophobicContact CD1-CG2 4.09Å; I192-I212 HydrophobicContact CG2-CD1 4Å; I212-K225 CarbonylContact O-C 3.05Å; I212-K225 VanDerWaalsContact O-CA 3.27Å; I212-K225 WeakPolarHBondContact O-CA 3.49Å; I212-T226 HydrophobicContact CB-CG2 4.04Å; I212-T226 PolarHBondContact N-OG1 2.96Å; I212-T226 PolarHBondContact O-N 2.88Å; I212-F237 HydrophobicContact CD1-CD2 4.06Å; I212-F237 HydrophobicContact CD1-CE2 3.49Å; I212-F237 VanDerWaalsContact CD1-CE2 3.49Å; I212-F237 HydrophobicContact CD1-CZ 3.97Å; I212-F237 HydrophobicContact CG1-CE1 4.49Å; I212-F237 HydrophobicContact CG1-CE2 3.89Å; I212-F237 HydrophobicContact CG1-CZ 3.81Å; I212-F258 HydrophobicContact CG2-CB 4.1Å; I212-F258 HydrophobicContact CG2-CD1 4.04Å; I212-M259 WeakPolarHBondContact CA-O 3.2Å; I212-V260 HydrophobicContact CD1-CG2 4.24Å; I212-V260 HydrophobicContact CG1-CG1 4.4Å; I212-V260 HydrophobicContact CG1-CG2 4.18Å |
| 213 | K | 96.6 | Very high | 86.3 | Confident | 40 Ų | 40 | 69.3 Ų | 69.3 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 116 | 163.4 | -62.4 | 172.2 | -177.7 | 143.9 | 0 | 107.6 | Y211 K225 M259 L261 D269 | Y211-K213 HydrophobicContact CD2-CG 4.47Å; Y211-K213 HydrophobicContact CE2-CD 4.34Å; Y211-K213 HydrophobicContact CE2-CG 3.73Å; Y211-K213 WeakPolarHBondContact OH-CE 3.45Å; Y211-K213 PolarHBondContact OH-NZ 3.19Å; K213-K225 HydrophobicContact CG-CD 4.38Å; K213-K225 HydrophobicContact CG-CG 4.11Å; K213-M259 HydrophobicContact CB-CB 4.3Å; K213-M259 HydrophobicContact CD-SD 4.34Å; K213-M259 PolarHBondContact N-O 3.07Å; K213-M259 PolarHBondContact O-N 3.22Å; K213-L261 HydrophobicContact CB-CD1 4.34Å; K213-L261 HydrophobicContact CD-CD1 3.56Å; K213-L261 HydrophobicContact CG-CD1 3.71Å; K213-D269 IonicContact NZ-OD2 3.45Å |
| 214 | L | 96.4 | Very high | 87 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.4 | 173.9 | 170.7 | 62.5 | 0 | 0 | 0 | 109.6 | V190 I192 R223 V224 F241 F243 L256 H257 F258 | V190-L214 HydrophobicContact CB-CD2 3.94Å; V190-L214 HydrophobicContact CG1-CD2 3.74Å; V190-L214 HydrophobicContact CG2-CD2 4.26Å; I192-L214 HydrophobicContact CD1-CB 4.38Å; I192-L214 HydrophobicContact CD1-CD2 4.43Å; L214-R223 WeakPolarHBondContact O-CA 3.23Å; L214-V224 HydrophobicContact CB-CG2 3.82Å; L214-V224 HydrophobicContact CD2-CG2 3.99Å; L214-V224 HydrophobicContact CG-CG2 4.12Å; L214-V224 PolarHBondContact N-O 2.84Å; L214-V224 PolarHBondContact O-N 2.9Å; L214-F241 HydrophobicContact CD2-CD2 4.17Å; L214-F243 HydrophobicContact CD2-CE2 4.07Å; L214-F243 HydrophobicContact CD2-CZ 3.97Å; L214-F243 HydrophobicContact CG-CZ 4.41Å; L214-L256 HydrophobicContact CD1-CB 4.1Å; L214-L256 HydrophobicContact CD1-CD2 3.64Å; L214-L256 HydrophobicContact CD1-CG 4.4Å; L214-L256 HydrophobicContact CD2-CD2 4.48Å; L214-L256 HydrophobicContact CG-CD2 4.44Å; L214-H257 WeakPolarHBondContact CA-O 3.44Å; L214-F258 HydrophobicContact CB-CD1 4.38Å; L214-F258 HydrophobicContact CD1-CD1 3.66Å; L214-F258 HydrophobicContact CD1-CE1 3.53Å; L214-F258 HydrophobicContact CD1-CE2 4.41Å; L214-F258 HydrophobicContact CD1-CG 4.19Å; L214-F258 HydrophobicContact CD1-CZ 3.94Å; L214-F258 HydrophobicContact CD2-CE1 4.24Å; L214-F258 HydrophobicContact CG-CD1 4.47Å; L214-F258 HydrophobicContact CG-CE1 4.31Å |
| 215 | T | 92.9 | Very high | 87.7 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | 175.5 | -49.6 | 0 | 0 | 0 | 0 | 109.9 | L217 H222 H257 | T215-L217 HydrophobicContact CG2-CD2 4.12Å; T215-H222 WeakPolarHBondContact CA-O 3.43Å; T215-H257 PolarHBondContact N-O 2.84Å; T215-H257 PolarHBondContact O-N 3.34Å |
| 216 | L | 90.3 | Very high | 88.4 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.4 | 171.2 | -168.4 | 62.7 | 0 | 0 | 0 | 109.1 | F188 E219 H222 F243 I246 L254 L256 L279 | F188-L216 HydrophobicContact CE1-CD1 4.18Å; L216-E219 CarbonylContact O-C 3.44Å; L216-E219 VanDerWaalsContact O-C 3.31Å; L216-E219 VanDerWaalsContact O-O 3.09Å; L216-H222 HydrophobicContact CB-CB 3.97Å; L216-H222 HydrophobicContact CD2-CB 4.48Å; L216-H222 PolarHBondContact N-O 3.18Å; L216-F243 HydrophobicContact CD2-CB 4.48Å; L216-F243 HydrophobicContact CD2-CD1 4.24Å; L216-F243 HydrophobicContact CD2-CG 4.24Å; L216-I246 HydrophobicContact CD2-CD1 3.42Å; L216-I246 VanDerWaalsContact CD2-CD1 3.42Å; L216-L254 HydrophobicContact CD1-CB 4.03Å; L216-L254 HydrophobicContact CD1-CD1 4.11Å; L216-L254 HydrophobicContact CD2-CD1 4.02Å; L216-L254 HydrophobicContact CG-CD1 4.16Å; L216-L256 HydrophobicContact CD1-CD2 3.68Å; L216-L256 HydrophobicContact CD1-CG 4.39Å; L216-L279 HydrophobicContact CD1-CD1 4.47Å |
| 217 | L | 86.1 | Confident | 88.8 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 147.8 | -176.7 | -61.9 | 179.9 | 0 | 0 | 0 | 110.4 | T215 K220 L254 A255 H257 L276 | T215-L217 HydrophobicContact CG2-CD2 4.12Å; L217-K220 HydrophobicContact CD2-CG 4.06Å; L217-L254 VanDerWaalsContact O-CA 3.29Å; L217-L254 WeakPolarHBondContact O-CA 3.4Å; L217-L254 WeakPolarHBondContact O-CB 3.36Å; L217-L254 VanDerWaalsContact O-CD2 3.24Å; L217-L254 WeakPolarHBondContact O-CD2 3.17Å; L217-A255 HydrophobicContact CB-CB 4.34Å; L217-A255 PolarHBondContact N-O 2.98Å; L217-A255 PolarHBondContact O-N 2.92Å; L217-A255 VanDerWaalsContact O-N 3.09Å; L217-H257 HydrophobicContact CD1-CB 3.9Å; L217-H257 HydrophobicContact CG-CB 4.25Å; L217-L276 HydrophobicContact CD1-CD1 3.87Å |
| 218 | P | 72.1 | Confident | 89 | Confident | 99 Ų | 99 | 58.4 Ų | 58.4 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | S | Bend | cis | -81.9 | -13.5 | 6.7 | 33 | -35.6 | 0 | 0 | 0 | 114.4 | K220 | P218-K220 PolarHBondContact O-N 2.89Š|
| 219 | E | 68.9 | Low | 89.2 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 41% | 0.407 | 28% | 0.276 | S | S | . | . | trans | -75.3 | 78.7 | -174.9 | -65.5 | -165.7 | -146.7 | 0 | 0 | 113.4 | L216 K221 H222 | L216-E219 CarbonylContact O-C 3.44Å; L216-E219 VanDerWaalsContact O-C 3.31Å; L216-E219 VanDerWaalsContact O-O 3.09Å; E219-K221 PolarHBondContact O-N 2.91Å; E219-H222 PolarHBondContact O-N 2.91Å; E219-H222 VanDerWaalsContact O-N 3.07Å | ||
| 220 | K | 63.7 | Low | 89.1 | Confident | 166 Ų | 166 | 67.1 Ų | 67.1 | 72% | 0.722 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 0.1 | 178.5 | -65.4 | -179.4 | -179.5 | 176.2 | 0 | 116.7 | L217 P218 | L217-K220 HydrophobicContact CD2-CG 4.06Å; P218-K220 PolarHBondContact O-N 2.89Å |
| 221 | K | 67.7 | Low | 89 | Confident | 183 Ų | 183 | 73.9 Ų | 73.9 | 80% | 0.796 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -36.1 | 170.3 | -63 | 178.8 | 179.8 | 175.3 | 0 | 111.7 | E219 R223 | E219-K221 PolarHBondContact O-N 2.91Å; K221-R223 PolarHBondContact O-N 2.85Å; K221-R223 VanDerWaalsContact O-N 3.11Å |
| 222 | H | 77.3 | Confident | 88.9 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 33% | 0.329 | 34% | 0.341 | S | S | . | . | trans | -85.9 | 84.4 | -177.7 | -66.5 | -64.9 | 0 | 0 | 0 | 110.6 | T215 L216 E219 F243 | T215-H222 WeakPolarHBondContact CA-O 3.43Å; L216-H222 HydrophobicContact CB-CB 3.97Å; L216-H222 HydrophobicContact CD2-CB 4.48Å; L216-H222 PolarHBondContact N-O 3.18Å; E219-H222 PolarHBondContact O-N 2.91Å; E219-H222 VanDerWaalsContact O-N 3.07Å; H222-F243 HydrophobicContact CB-CD1 4.11Å; H222-F243 HydrophobicContact CB-CE1 4.07Å | ||
| 223 | R | 88.4 | Confident | 88.8 | Confident | 167 Ų | 167 | 77.3 Ų | 77.3 | 63% | 0.63 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 125.6 | 177.8 | -175.4 | 178.8 | 66.3 | -178 | -0.6 | 111.3 | L214 K221 | L214-R223 WeakPolarHBondContact O-CA 3.23Å; K221-R223 PolarHBondContact O-N 2.85Å; K221-R223 VanDerWaalsContact O-N 3.11Å |
| 224 | V | 94.1 | Very high | 88.9 | Confident | 18 Ų | 18 | 79.5 Ų | 79.5 | 11% | 0.109 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 168.6 | 177.2 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | L58 L214 F241 F243 | L58-V224 HydrophobicContact CD1-CG1 4.11Å; L214-V224 HydrophobicContact CB-CG2 3.82Å; L214-V224 HydrophobicContact CD2-CG2 3.99Å; L214-V224 HydrophobicContact CG-CG2 4.12Å; L214-V224 PolarHBondContact N-O 2.84Å; L214-V224 PolarHBondContact O-N 2.9Å; V224-F241 HydrophobicContact CB-CD1 3.65Å; V224-F241 HydrophobicContact CB-CE1 3.87Å; V224-F241 HydrophobicContact CB-CG 4.31Å; V224-F241 HydrophobicContact CG1-CD1 4.1Å; V224-F241 HydrophobicContact CG2-CB 4.09Å; V224-F241 HydrophobicContact CG2-CD1 3.43Å; V224-F241 VanDerWaalsContact CG2-CD1 3.43Å; V224-F241 HydrophobicContact CG2-CD2 4.09Å; V224-F241 HydrophobicContact CG2-CE1 3.84Å; V224-F241 HydrophobicContact CG2-CE2 4.45Å; V224-F241 HydrophobicContact CG2-CG 3.57Å; V224-F241 HydrophobicContact CG2-CZ 4.34Å; V224-F243 HydrophobicContact CG1-CE1 4.44Å; V224-F243 HydrophobicContact CG2-CZ 4.08Å |
| 225 | K | 96.1 | Very high | 88.9 | Confident | 108 Ų | 108 | 79.5 Ų | 79.5 | 47% | 0.47 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.9 | 178.4 | -60 | -173.2 | 176.6 | -174.2 | 0 | 110 | Y211 I212 K213 F241 | Y211-K225 HydrophobicContact CE2-CD 3.94Å; I212-K225 CarbonylContact O-C 3.05Å; I212-K225 VanDerWaalsContact O-CA 3.27Å; I212-K225 WeakPolarHBondContact O-CA 3.49Å; K213-K225 HydrophobicContact CG-CD 4.38Å; K213-K225 HydrophobicContact CG-CG 4.11Å; K225-F241 WeakPolarHBondContact O-CZ 3.45Å |
| 226 | T | 98.3 | Very high | 89.2 | Confident | 10 Ų | 10 | 80.8 Ų | 80.8 | 6% | 0.061 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -74 | 169 | 163 | 67.2 | 0 | 0 | 0 | 0 | 111.2 | I192 I212 F237 E239 F241 | I192-T226 HydrophobicContact CD1-CG2 3.94Å; I192-T226 HydrophobicContact CG2-CG2 4.35Å; I212-T226 HydrophobicContact CB-CG2 4.04Å; I212-T226 PolarHBondContact N-OG1 2.96Å; I212-T226 PolarHBondContact O-N 2.88Å; T226-F237 HydrophobicContact CG2-CB 4.31Å; T226-F237 HydrophobicContact CG2-CD1 4.01Å; T226-F237 HydrophobicContact CG2-CG 4.15Å; T226-E239 VanDerWaalsContact CA-OE2 3.28Å; T226-E239 WeakPolarHBondContact CA-OE2 3.24Å; T226-E239 WeakPolarHBondContact CB-OE1 3.49Å; T226-F241 HydrophobicContact CG2-CE2 4.13Å; T226-F241 HydrophobicContact CG2-CZ 4.14Å |
| 227 | R | 97.3 | Very high | 89.5 | Confident | 136 Ų | 136 | 80.6 Ų | 80.6 | 51% | 0.513 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.6 | 160.1 | 74 | -149.8 | 168.9 | 129.4 | -0.2 | 111.2 | Y211 L229 A236 F237 E239 | Y211-R227 WeakPolarHBondContact CB-O 3.43Å; R227-L229 HydrophobicContact CG-CD2 4.04Å; R227-L229 HydrophobicContact CG-CG 4.33Å; R227-A236 PolarHBondContact NH2-O 2.85Å; R227-F237 PolarHBondContact NE-O 3.34Å; R227-F237 PolarHBondContact NH2-O 2.9Å; R227-E239 WeakPolarHBondContact CB-OE1 3.46Å; R227-E239 VanDerWaalsContact CD-OE1 3.23Å; R227-E239 WeakPolarHBondContact CD-OE1 3.45Å; R227-E239 WeakPolarHBondContact CG-OE1 3.37Å; R227-E239 PolarHBondContact N-OE1 3.28Å; R227-E239 PolarHBondContact N-OE2 3.08Å; R227-E239 IonicContact NE-OE1 2.71Å |
| 228 | V | 98 | Very high | 90.1 | Very high | 54 Ų | 54 | 83.8 Ų | 83.8 | 33% | 0.327 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 125.3 | 168 | 179.1 | 0 | 0 | 0 | 0 | 108.5 | D209 Y211 F263 | D209-V228 HydrophobicContact CB-CG1 3.97Å; Y211-V228 HydrophobicContact CD1-CG2 3.95Å; Y211-V228 HydrophobicContact CG-CG2 4.1Å; V228-F263 HydrophobicContact CB-CB 4.47Å; V228-F263 HydrophobicContact CG1-CB 3.66Å; V228-F263 HydrophobicContact CG1-CD1 4.13Å; V228-F263 HydrophobicContact CG1-CG 4.08Å; V228-F263 HydrophobicContact CG2-CB 3.9Å; V228-F263 HydrophobicContact CG2-CD2 4.38Å; V228-F263 HydrophobicContact CG2-CG 4.06Å |
| 229 | L | 97.5 | Very high | 91.3 | Very high | 31 Ų | 31 | 80.2 Ų | 80.2 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 141 | 168.2 | -63.7 | 177.4 | 0 | 0 | 0 | 108.2 | D209 P210 R227 T232 P235 A236 F237 | D209-L229 CarbonylContact C-O 3.52Å; D209-L229 WeakPolarHBondContact CA-O 3.35Å; P210-L229 WeakPolarHBondContact CD-O 3.47Å; P210-L229 VanDerWaalsContact N-O 3.12Å; P210-L229 PolarHBondContact O-N 2.82Å; R227-L229 HydrophobicContact CG-CD2 4.04Å; R227-L229 HydrophobicContact CG-CG 4.33Å; L229-T232 HydrophobicContact CB-CG2 4.02Å; L229-P235 HydrophobicContact CB-CB 4.32Å; L229-P235 HydrophobicContact CD1-CB 3.69Å; L229-A236 VanDerWaalsContact CD1-O 3.25Å; L229-A236 WeakPolarHBondContact CD1-O 3.35Å; L229-F237 HydrophobicContact CD1-CD1 3.86Å; L229-F237 HydrophobicContact CD1-CE1 4.1Å; L229-F237 HydrophobicContact CD1-CG 4.44Å; L229-F237 HydrophobicContact CG-CD1 4.37Å; L229-F237 HydrophobicContact CG-CE1 4.44Å |
| 230 | R | 96 | Very high | 92.7 | Very high | 169 Ų | 169 | 77.9 Ų | 77.9 | 64% | 0.638 | 36% | 0.361 | S | S | * | . | trans | -104.5 | 141.1 | -168.6 | -55.6 | -155.3 | 72.8 | -179.6 | 2.9 | 112.3 | D209 T232 | D209-R230 WeakPolarHBondContact OD1-CA 3.49Å; D209-R230 WeakPolarHBondContact OD1-CB 3.5Å; D209-R230 IonicContact OD1-NE 2.74Å; D209-R230 IonicContact OD2-CZ 3.15Å; D209-R230 IonicContact OD2-NE 3.27Å; D209-R230 PolarHBondContact OD2-NE 2.82Å; D209-R230 IonicContact OD2-NH2 3.44Å; D209-R230 PolarHBondContact OD2-NH2 3.31Å; R230-T232 PolarHBondContact O-N 2.95Å | ||
| 231 | K | 94.8 | Very high | 94.2 | Very high | 142 Ų | 142 | 70.2 Ų | 70.2 | 62% | 0.617 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 48.2 | 52.8 | 173.8 | -58 | -169 | 172.9 | -160.8 | 0 | 113.4 | T207 S208 D209 | T207-K231 HydrophobicContact CG2-CB 4.35Å; T207-K231 WeakPolarHBondContact OG1-CA 3.21Å; S208-K231 CarbonylContact O-C 3.55Å; S208-K231 VanDerWaalsContact O-CA 3.23Å; S208-K231 WeakPolarHBondContact O-CA 3.48Å; S208-K231 PolarHBondContact O-N 3.15Å; D209-K231 PolarHBondContact OD1-N 2.81Å |
| 232 | T | 96.7 | Very high | 95.5 | Very high | 36 Ų | 36 | 62.1 Ų | 62.1 | 22% | 0.221 | 29% | 0.294 | C | S | . | . | trans | -142.5 | 142.6 | 179.1 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | S208 P210 L229 R230 D234 P235 | S208-T232 PolarHBondContact O-N 2.95Å; P210-T232 VanDerWaalsContact CD-O 3.27Å; P210-T232 WeakPolarHBondContact CD-O 3.46Å; P210-T232 HydrophobicContact CG-CG2 3.79Å; P210-T232 WeakPolarHBondContact CG-O 3.35Å; L229-T232 HydrophobicContact CB-CG2 4.02Å; R230-T232 PolarHBondContact O-N 2.95Å; T232-D234 VanDerWaalsContact OG1-C 3.3Å; T232-D234 PolarHBondContact OG1-N 2.92Å; T232-D234 PolarHBondContact OG1-O 3.12Å; T232-P235 HydrophobicContact CG2-CB 3.95Å | ||
| 233 | L | 96.7 | Very high | 96.3 | Very high | 44 Ų | 44 | 59.2 Ų | 59.2 | 23% | 0.23 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -102.2 | -5.5 | 169.2 | -55.2 | -178 | 0 | 0 | 0 | 111.8 | G197 L198 P200 P235 | G197-L233 PolarHBondContact N-O 2.85Å; L198-L233 HydrophobicContact CB-CB 4.36Å; L198-L233 HydrophobicContact CB-CD2 4.45Å; L198-L233 WeakPolarHBondContact CB-O 3.4Å; L198-L233 WeakPolarHBondContact CG-O 3.44Å; L198-L233 PolarHBondContact N-O 3.17Å; L198-L233 WeakPolarHBondContact O-CD2 3.18Å; P200-L233 HydrophobicContact CB-CD1 4.35Å; P200-L233 HydrophobicContact CB-CD2 4.13Å; L233-P235 WeakPolarHBondContact O-CD 3.28Å |
| 234 | D | 97.3 | Very high | 96.4 | Very high | 85 Ų | 85 | 55.3 Ų | 55.3 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -126.1 | 67.4 | 178.2 | -63.1 | -81 | 0 | 0 | 0 | 110.2 | A195 H196 G197 T232 A236 | A195-D234 CarbonylContact O-C 3.56Å; A195-D234 VanDerWaalsContact O-CA 3.24Å; A195-D234 WeakPolarHBondContact O-CA 3.38Å; H196-D234 WeakPolarHBondContact CA-OD1 3.44Å; H196-D234 IonicContact CG-OD1 3.78Å; H196-D234 IonicContact ND1-OD1 3.53Å; H196-D234 PolarHBondContact ND1-OD1 2.74Å; G197-D234 PolarHBondContact N-OD1 2.77Å; T232-D234 VanDerWaalsContact OG1-C 3.3Å; T232-D234 PolarHBondContact OG1-N 2.92Å; T232-D234 PolarHBondContact OG1-O 3.12Å; D234-A236 PolarHBondContact O-N 2.71Å |
| 235 | P | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | trans | -74.1 | 119.1 | -177.1 | 27.5 | -35.4 | 0 | 0 | 0 | 113.6 | E194 A195 L198 P210 L229 T232 L233 F237 | E194-P235 CarbonylContact C-O 3.56Å; E194-P235 WeakPolarHBondContact CA-O 3.27Å; E194-P235 WeakPolarHBondContact CB-O 3.46Å; A195-P235 HydrophobicContact CB-CG 4.03Å; A195-P235 PolarHBondContact N-O 2.79Å; A195-P235 VanDerWaalsContact O-CD 3.28Å; A195-P235 WeakPolarHBondContact O-CD 3.33Å; L198-P235 HydrophobicContact CD1-CG 3.68Å; P210-P235 HydrophobicContact CB-CB 4.41Å; P210-P235 HydrophobicContact CB-CG 4.04Å; P210-P235 HydrophobicContact CG-CB 3.66Å; P210-P235 HydrophobicContact CG-CG 3.65Å; L229-P235 HydrophobicContact CB-CB 4.32Å; L229-P235 HydrophobicContact CD1-CB 3.69Å; T232-P235 HydrophobicContact CG2-CB 3.95Å; L233-P235 WeakPolarHBondContact O-CD 3.28Å; P235-F237 HydrophobicContact CB-CD2 4.4Å; P235-F237 HydrophobicContact CB-CE1 3.93Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CZ 3.52Å; P235-F237 HydrophobicContact CG-CE1 4.4Å; P235-F237 HydrophobicContact CG-CE2 3.59Å; P235-F237 HydrophobicContact CG-CZ 3.51Å; P235-F237 PolarHBondContact O-N 3.1Å | ||
| 236 | A | 98.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 94.9 | 165 | 0 | 0 | 0 | 0 | 0 | 111.1 | K193 E194 R227 L229 D234 | K193-A236 CarbonylContact O-C 3.2Å; E194-A236 HydrophobicContact CB-CB 4.48Å; R227-A236 PolarHBondContact NH2-O 2.85Å; L229-A236 VanDerWaalsContact CD1-O 3.25Å; L229-A236 WeakPolarHBondContact CD1-O 3.35Å; D234-A236 PolarHBondContact O-N 2.71Å |
| 237 | F | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -54.8 | 179.9 | -61 | -70.9 | 0 | 0 | 0 | 112 | I192 K193 A195 P210 I212 T226 R227 L229 P235 | I192-F237 HydrophobicContact CG2-CB 4.11Å; I192-F237 HydrophobicContact CG2-CD2 3.79Å; I192-F237 HydrophobicContact CG2-CG 4.17Å; K193-F237 WeakPolarHBondContact O-CA 3.36Å; K193-F237 PolarHBondContact O-N 3.11Å; A195-F237 HydrophobicContact CB-CE2 4.37Å; P210-F237 HydrophobicContact CB-CZ 4.45Å; I212-F237 HydrophobicContact CD1-CD2 4.06Å; I212-F237 HydrophobicContact CD1-CE2 3.49Å; I212-F237 VanDerWaalsContact CD1-CE2 3.49Å; I212-F237 HydrophobicContact CD1-CZ 3.97Å; I212-F237 HydrophobicContact CG1-CE1 4.49Å; I212-F237 HydrophobicContact CG1-CE2 3.89Å; I212-F237 HydrophobicContact CG1-CZ 3.81Å; T226-F237 HydrophobicContact CG2-CB 4.31Å; T226-F237 HydrophobicContact CG2-CD1 4.01Å; T226-F237 HydrophobicContact CG2-CG 4.15Å; R227-F237 PolarHBondContact NE-O 3.34Å; R227-F237 PolarHBondContact NH2-O 2.9Å; L229-F237 HydrophobicContact CD1-CD1 3.86Å; L229-F237 HydrophobicContact CD1-CE1 4.1Å; L229-F237 HydrophobicContact CD1-CG 4.44Å; L229-F237 HydrophobicContact CG-CD1 4.37Å; L229-F237 HydrophobicContact CG-CE1 4.44Å; P235-F237 HydrophobicContact CB-CD2 4.4Å; P235-F237 HydrophobicContact CB-CE1 3.93Å; P235-F237 HydrophobicContact CB-CE2 3.78Å; P235-F237 HydrophobicContact CB-CZ 3.52Å; P235-F237 HydrophobicContact CG-CE1 4.4Å; P235-F237 HydrophobicContact CG-CE2 3.59Å; P235-F237 HydrophobicContact CG-CZ 3.51Å; P235-F237 PolarHBondContact O-N 3.1Å |
| 238 | D | 97.5 | Very high | 95.1 | Very high | 108 Ų | 108 | 51.6 Ų | 51.6 | 58% | 0.578 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 51.6 | -172.4 | -78.5 | -32.6 | 0 | 0 | 0 | 114 | H191 I192 K193 | H191-D238 IonicContact CE1-OD1 3.91Å; H191-D238 IonicContact NE2-OD1 2.76Å; I192-D238 WeakPolarHBondContact O-CA 3.39Å; I192-D238 PolarHBondContact O-N 3.08Å; K193-D238 PolarHBondContact O-N 3.5Å |
| 239 | E | 97.8 | Very high | 94.6 | Very high | 23 Ų | 23 | 52.6 Ų | 52.6 | 11% | 0.107 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.4 | -176.4 | -74.7 | -177 | -122.8 | 0 | 0 | 113.1 | H191 I192 T226 R227 F241 | H191-E239 CarbonylContact C-O 3.56Å; H191-E239 WeakPolarHBondContact CA-O 3.39Å; H191-E239 PolarHBondContact CD2-O 2.96Å; I192-E239 PolarHBondContact N-O 2.96Å; I192-E239 PolarHBondContact O-N 3.18Å; T226-E239 VanDerWaalsContact CA-OE2 3.28Å; T226-E239 WeakPolarHBondContact CA-OE2 3.24Å; T226-E239 WeakPolarHBondContact CB-OE1 3.49Å; R227-E239 WeakPolarHBondContact CB-OE1 3.46Å; R227-E239 VanDerWaalsContact CD-OE1 3.23Å; R227-E239 WeakPolarHBondContact CD-OE1 3.45Å; R227-E239 WeakPolarHBondContact CG-OE1 3.37Å; R227-E239 PolarHBondContact N-OE1 3.28Å; R227-E239 PolarHBondContact N-OE2 3.08Å; R227-E239 IonicContact NE-OE1 2.71Å; E239-F241 HydrophobicContact CB-CE2 3.96Å; E239-F241 HydrophobicContact CB-CZ 3.98Å |
| 240 | T | 97.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 24% | 0.239 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 122.5 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | I189 H191 | I189-T240 HydrophobicContact CG2-CG2 3.49Å; I189-T240 VanDerWaalsContact CG2-CG2 3.49Å; H191-T240 PolarHBondContact CD2-OG1 3.39Å |
| 241 | F | 96.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.1 | 174.3 | -56.1 | -75.7 | 0 | 0 | 0 | 110.3 | I189 V190 I192 L214 V224 K225 T226 E239 F243 | I189-F241 WeakPolarHBondContact CA-O 3.17Å; V190-F241 PolarHBondContact N-O 2.81Å; V190-F241 PolarHBondContact O-N 2.85Å; I192-F241 HydrophobicContact CD1-CD2 4.21Å; I192-F241 HydrophobicContact CD1-CE2 3.8Å; I192-F241 HydrophobicContact CG1-CD2 4.3Å; I192-F241 HydrophobicContact CG1-CE2 4.11Å; L214-F241 HydrophobicContact CD2-CD2 4.17Å; V224-F241 HydrophobicContact CB-CD1 3.65Å; V224-F241 HydrophobicContact CB-CE1 3.87Å; V224-F241 HydrophobicContact CB-CG 4.31Å; V224-F241 HydrophobicContact CG1-CD1 4.1Å; V224-F241 HydrophobicContact CG2-CB 4.09Å; V224-F241 HydrophobicContact CG2-CD1 3.43Å; V224-F241 VanDerWaalsContact CG2-CD1 3.43Å; V224-F241 HydrophobicContact CG2-CD2 4.09Å; V224-F241 HydrophobicContact CG2-CE1 3.84Å; V224-F241 HydrophobicContact CG2-CE2 4.45Å; V224-F241 HydrophobicContact CG2-CG 3.57Å; V224-F241 HydrophobicContact CG2-CZ 4.34Å; K225-F241 WeakPolarHBondContact O-CZ 3.45Å; T226-F241 HydrophobicContact CG2-CE2 4.13Å; T226-F241 HydrophobicContact CG2-CZ 4.14Å; E239-F241 HydrophobicContact CB-CE2 3.96Å; E239-F241 HydrophobicContact CB-CZ 3.98Å; F241-F243 HydrophobicContact CB-CE2 4.13Å; F241-F243 HydrophobicContact CB-CZ 4.34Å |
| 242 | S | 95 | Very high | 93.6 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.2 | 180 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 243 | F | 93 | Very high | 93.2 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 99.6 | 178.4 | -57.9 | -83.7 | 0 | 0 | 0 | 109.6 | A187 F188 V190 L214 L216 H222 V224 F241 I246 | A187-F243 WeakPolarHBondContact CA-O 3.25Å; F188-F243 HydrophobicContact CB-CB 4.45Å; F188-F243 HydrophobicContact CD1-CD2 4.17Å; F188-F243 PolarHBondContact N-O 2.83Å; F188-F243 PolarHBondContact O-N 2.98Å; V190-F243 HydrophobicContact CB-CE2 4.35Å; V190-F243 HydrophobicContact CG2-CD2 4.21Å; V190-F243 HydrophobicContact CG2-CE2 3.79Å; L214-F243 HydrophobicContact CD2-CE2 4.07Å; L214-F243 HydrophobicContact CD2-CZ 3.97Å; L214-F243 HydrophobicContact CG-CZ 4.41Å; L216-F243 HydrophobicContact CD2-CB 4.48Å; L216-F243 HydrophobicContact CD2-CD1 4.24Å; L216-F243 HydrophobicContact CD2-CG 4.24Å; H222-F243 HydrophobicContact CB-CD1 4.11Å; H222-F243 HydrophobicContact CB-CE1 4.07Å; V224-F243 HydrophobicContact CG1-CE1 4.44Å; V224-F243 HydrophobicContact CG2-CZ 4.08Å; F241-F243 HydrophobicContact CB-CE2 4.13Å; F241-F243 HydrophobicContact CB-CZ 4.34Å; F243-I246 HydrophobicContact CB-CD1 3.73Å |
| 244 | Y | 91.4 | Very high | 92.9 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 150.9 | -178.1 | -63.1 | -86.5 | 0 | 0 | 0 | 112.5 | R185 A187 | R185-Y244 HydrophobicContact CB-CE1 4.46Å; A187-Y244 HydrophobicContact CB-CD1 3.69Å; A187-Y244 HydrophobicContact CB-CE1 3.8Å; A187-Y244 HydrophobicContact CB-CG 4.42Å |
| 245 | G | 87.8 | Confident | 92.7 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 54% | 0.536 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 7.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K186 P247 | K186-G245 PolarHBondContact O-N 2.72Å; G245-P247 WeakPolarHBondContact O-CD 3.46Å |
| 246 | I | 88.4 | Confident | 92.6 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | trans | -95.9 | 113.9 | 176.2 | -54.9 | -179.6 | 0 | 0 | 0 | 108 | Y181 K186 L216 F243 V251 L254 | Y181-I246 VanDerWaalsContact CE2-O 3.24Å; Y181-I246 WeakPolarHBondContact CE2-O 3.47Å; Y181-I246 PolarHBondContact OH-O 2.98Å; K186-I246 PolarHBondContact O-N 2.66Å; L216-I246 HydrophobicContact CD2-CD1 3.42Å; L216-I246 VanDerWaalsContact CD2-CD1 3.42Å; F243-I246 HydrophobicContact CB-CD1 3.73Å; I246-V251 HydrophobicContact CG2-CG2 3.8Å; I246-L254 HydrophobicContact CD1-CD1 4.19Å; I246-L254 HydrophobicContact CG2-CD1 3.93Å | ||
| 247 | P | 90.5 | Very high | 92.4 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | trans | -67.5 | 144.4 | 171.8 | -16.1 | 30.8 | 0 | 0 | 0 | 111.2 | Y181 G245 A249 R250 V251 | Y181-P247 WeakPolarHBondContact OH-CA 3.48Å; G245-P247 WeakPolarHBondContact O-CD 3.46Å; P247-A249 VanDerWaalsContact C-N 3.27Å; P247-A249 PolarHBondContact O-N 2.91Å; P247-R250 PolarHBondContact O-N 3Å; P247-V251 PolarHBondContact O-N 2.84Å | ||
| 248 | L | 90.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 44.4 Ų | 44.4 | 38% | 0.382 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -49.5 | -45.2 | -179 | -179.2 | 58.9 | 0 | 0 | 0 | 112.9 | Y181 R250 V251 L284 | Y181-L248 HydrophobicContact CD1-CB 4.03Å; Y181-L248 HydrophobicContact CD1-CD1 3.8Å; Y181-L248 HydrophobicContact CD1-CD2 4.48Å; Y181-L248 HydrophobicContact CD1-CG 4.31Å; Y181-L248 HydrophobicContact CD2-CD1 4.24Å; Y181-L248 HydrophobicContact CE1-CB 3.63Å; Y181-L248 HydrophobicContact CE1-CD1 4.3Å; Y181-L248 HydrophobicContact CE1-CG 4.41Å; Y181-L248 HydrophobicContact CE2-CB 4.47Å; Y181-L248 HydrophobicContact CG-CD1 3.77Å; Y181-L248 PolarHBondContact OH-N 3.49Å; Y181-L248 VanDerWaalsContact OH-N 3.08Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.81Å; L248-V251 VanDerWaalsContact O-CB 3.29Å; L248-V251 WeakPolarHBondContact O-CB 3.37Å; L248-V251 WeakPolarHBondContact O-CG2 3.32Å; L248-V251 PolarHBondContact O-N 3.09Å; L248-L284 HydrophobicContact CD1-CB 4.31Å |
| 249 | A | 89.4 | Confident | 92.3 | Very high | 75 Ų | 75 | 40.4 Ų | 40.4 | 62% | 0.62 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -54.2 | -43.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P247 V251 S252 | P247-A249 VanDerWaalsContact C-N 3.27Å; P247-A249 PolarHBondContact O-N 2.91Å; A249-V251 VanDerWaalsContact C-N 3.27Å; A249-V251 PolarHBondContact O-N 2.86Å; A249-S252 PolarHBondContact O-N 2.82Å; A249-S252 PolarHBondContact O-OG 3.34Å |
| 250 | R | 88.6 | Confident | 92.2 | Very high | 108 Ų | 108 | 39.3 Ų | 39.3 | 41% | 0.408 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.4 | -17.3 | 178.2 | -70 | -158.1 | -68.8 | 156.6 | 0.9 | 113.3 | P247 L248 S252 E253 L254 | P247-R250 PolarHBondContact O-N 3Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.81Å; R250-S252 PolarHBondContact O-N 3.45Å; R250-E253 WeakPolarHBondContact O-CB 3.47Å; R250-E253 PolarHBondContact O-N 2.96Å; R250-E253 VanDerWaalsContact O-N 3.15Å; R250-L254 WeakPolarHBondContact O-CG 3.36Å |
| 251 | V | 89.9 | Confident | 92.2 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.3 | -36.5 | 178.5 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | Y181 F188 I246 P247 L248 A249 E253 L254 L279 L284 | Y181-V251 HydrophobicContact CD2-CG2 3.95Å; Y181-V251 HydrophobicContact CE2-CG2 3.94Å; F188-V251 HydrophobicContact CD2-CG1 4.16Å; F188-V251 HydrophobicContact CE2-CG1 4.15Å; F188-V251 HydrophobicContact CG-CG1 4.42Å; F188-V251 HydrophobicContact CZ-CG1 4.38Å; I246-V251 HydrophobicContact CG2-CG2 3.8Å; P247-V251 PolarHBondContact O-N 2.84Å; L248-V251 VanDerWaalsContact O-CB 3.29Å; L248-V251 WeakPolarHBondContact O-CB 3.37Å; L248-V251 WeakPolarHBondContact O-CG2 3.32Å; L248-V251 PolarHBondContact O-N 3.09Å; A249-V251 VanDerWaalsContact C-N 3.27Å; A249-V251 PolarHBondContact O-N 2.86Å; V251-E253 PolarHBondContact O-N 2.86Å; V251-L254 PolarHBondContact O-N 2.62Å; V251-L254 VanDerWaalsContact O-N 3.13Å; V251-L279 HydrophobicContact CG1-CB 4.29Å; V251-L279 HydrophobicContact CG1-CD1 3.68Å; V251-L279 VanDerWaalsContact O-CB 3.24Å; V251-L279 WeakPolarHBondContact O-CB 3.2Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å |
| 252 | S | 88.5 | Confident | 92.1 | Very high | 66 Ų | 66 | 37.8 Ų | 37.8 | 46% | 0.462 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -20.5 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | A249 R250 S280 | A249-S252 PolarHBondContact O-N 2.82Å; A249-S252 PolarHBondContact O-OG 3.34Å; R250-S252 PolarHBondContact O-N 3.45Å; S252-S280 WeakPolarHBondContact O-CA 3.37Å; S252-S280 WeakPolarHBondContact O-CB 3.19Å; S252-S280 PolarHBondContact O-N 3.17Å |
| 253 | E | 88.6 | Confident | 92 | Very high | 138 Ų | 138 | 41 Ų | 41 | 65% | 0.645 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -8.8 | 179.4 | -58.7 | 168.2 | -164.9 | 0 | 0 | 112.8 | R250 V251 | R250-E253 WeakPolarHBondContact O-CB 3.47Å; R250-E253 PolarHBondContact O-N 2.96Å; R250-E253 VanDerWaalsContact O-N 3.15Å; V251-E253 PolarHBondContact O-N 2.86Å |
| 254 | L | 90.2 | Very high | 91.6 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | trans | -100.8 | 165.1 | -171 | -57.6 | 173.7 | 0 | 0 | 0 | 112.2 | L216 L217 I246 R250 V251 L279 | L216-L254 HydrophobicContact CD1-CB 4.03Å; L216-L254 HydrophobicContact CD1-CD1 4.11Å; L216-L254 HydrophobicContact CD2-CD1 4.02Å; L216-L254 HydrophobicContact CG-CD1 4.16Å; L217-L254 VanDerWaalsContact O-CA 3.29Å; L217-L254 WeakPolarHBondContact O-CA 3.4Å; L217-L254 WeakPolarHBondContact O-CB 3.36Å; L217-L254 VanDerWaalsContact O-CD2 3.24Å; L217-L254 WeakPolarHBondContact O-CD2 3.17Å; I246-L254 HydrophobicContact CD1-CD1 4.19Å; I246-L254 HydrophobicContact CG2-CD1 3.93Å; R250-L254 WeakPolarHBondContact O-CG 3.36Å; V251-L254 PolarHBondContact O-N 2.62Å; V251-L254 VanDerWaalsContact O-N 3.13Å; L254-L279 HydrophobicContact CB-CD1 4.12Å; L254-L279 WeakPolarHBondContact O-CB 3.41Å; L254-L279 PolarHBondContact O-N 3.07Å | ||
| 255 | A | 92.4 | Very high | 91.3 | Very high | 16 Ų | 16 | 48.5 Ų | 48.5 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | L217 L276 V277 | L217-A255 HydrophobicContact CB-CB 4.34Å; L217-A255 PolarHBondContact N-O 2.98Å; L217-A255 PolarHBondContact O-N 2.92Å; L217-A255 VanDerWaalsContact O-N 3.09Å; A255-L276 HydrophobicContact CB-CD1 4.16Å; A255-V277 CarbonylContact C-O 3.56Å; A255-V277 VanDerWaalsContact CA-O 3.32Å; A255-V277 WeakPolarHBondContact CA-O 3.26Å |
| 256 | L | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 129.2 | 169.2 | -67.6 | 170.3 | 0 | 0 | 0 | 109.8 | L179 F188 V190 L214 L216 F258 V277 L279 | L179-L256 HydrophobicContact CD1-CD1 4.16Å; L179-L256 HydrophobicContact CD2-CD1 3.47Å; L179-L256 VanDerWaalsContact CD2-CD1 3.47Å; L179-L256 HydrophobicContact CG-CD1 4.48Å; F188-L256 HydrophobicContact CE1-CD1 4.26Å; F188-L256 HydrophobicContact CE1-CD2 4.04Å; F188-L256 HydrophobicContact CE1-CG 4.32Å; F188-L256 HydrophobicContact CZ-CD1 4.03Å; V190-L256 HydrophobicContact CG1-CD1 4.21Å; V190-L256 HydrophobicContact CG2-CD1 3.82Å; V190-L256 HydrophobicContact CG2-CD2 3.88Å; L214-L256 HydrophobicContact CD1-CB 4.1Å; L214-L256 HydrophobicContact CD1-CD2 3.64Å; L214-L256 HydrophobicContact CD1-CG 4.4Å; L214-L256 HydrophobicContact CD2-CD2 4.48Å; L214-L256 HydrophobicContact CG-CD2 4.44Å; L216-L256 HydrophobicContact CD1-CD2 3.68Å; L216-L256 HydrophobicContact CD1-CG 4.39Å; L256-F258 HydrophobicContact CB-CD2 4.34Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 4.14Å; L256-F258 HydrophobicContact CD1-CE2 4.17Å; L256-F258 HydrophobicContact CD1-CZ 3.95Å; L256-V277 HydrophobicContact CB-CB 4.36Å; L256-V277 PolarHBondContact N-O 3.13Å; L256-V277 PolarHBondContact O-N 2.71Å; L256-L279 HydrophobicContact CD1-CD2 4.01Å; L256-L279 HydrophobicContact CG-CD1 4.33Å; L256-L279 HydrophobicContact CG-CD2 4.15Å |
| 257 | H | 94.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 57.4 Ų | 57.4 | 13% | 0.125 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107.9 | 171.2 | -177.7 | -147.6 | 0 | 0 | 0 | 109 | L214 T215 L217 E274 L276 | L214-H257 WeakPolarHBondContact CA-O 3.44Å; T215-H257 PolarHBondContact N-O 2.84Å; T215-H257 PolarHBondContact O-N 3.34Å; L217-H257 HydrophobicContact CD1-CB 3.9Å; L217-H257 HydrophobicContact CG-CB 4.25Å; H257-E274 IonicContact CD2-OE2 2.79Å; H257-E274 IonicContact CE1-OE2 3.23Å; H257-E274 PolarHBondContact CE1-OE2 2.76Å; H257-E274 IonicContact NE2-OE2 3.64Å; H257-E274 PolarHBondContact NE2-OE2 3.28Å; H257-L276 HydrophobicContact CB-CD1 4.14Å |
| 258 | F | 96.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 128.1 | 170.6 | -56.1 | -89.3 | 0 | 0 | 0 | 108.3 | L175 F177 V190 I192 I212 L214 L256 E274 T275 V277 | L175-F258 HydrophobicContact CD2-CB 3.69Å; L175-F258 HydrophobicContact CD2-CD1 3.85Å; L175-F258 HydrophobicContact CD2-CD2 4.06Å; L175-F258 HydrophobicContact CD2-CE1 4.46Å; L175-F258 HydrophobicContact CD2-CG 3.61Å; F177-F258 HydrophobicContact CD1-CZ 4.43Å; F177-F258 HydrophobicContact CD2-CE2 4.17Å; F177-F258 AromaticContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CD2-CZ 3.65Å; F177-F258 HydrophobicContact CE1-CE2 4.22Å; F177-F258 HydrophobicContact CE1-CZ 4.49Å; F177-F258 AromaticContact CE2-CE2 3.75Å; F177-F258 HydrophobicContact CE2-CE2 3.75Å; F177-F258 AromaticContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CE2-CZ 3.69Å; F177-F258 HydrophobicContact CG-CZ 4.05Å; F177-F258 AromaticContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CE2 3.81Å; F177-F258 HydrophobicContact CZ-CZ 4.15Å; V190-F258 HydrophobicContact CG1-CE1 4.03Å; V190-F258 HydrophobicContact CG1-CZ 3.96Å; I192-F258 HydrophobicContact CD1-CD1 4Å; I192-F258 HydrophobicContact CD1-CE1 3.86Å; I192-F258 HydrophobicContact CG1-CE1 4.03Å; I212-F258 HydrophobicContact CG2-CB 4.1Å; I212-F258 HydrophobicContact CG2-CD1 4.04Å; L214-F258 HydrophobicContact CB-CD1 4.38Å; L214-F258 HydrophobicContact CD1-CD1 3.66Å; L214-F258 HydrophobicContact CD1-CE1 3.53Å; L214-F258 HydrophobicContact CD1-CE2 4.41Å; L214-F258 HydrophobicContact CD1-CG 4.19Å; L214-F258 HydrophobicContact CD1-CZ 3.94Å; L214-F258 HydrophobicContact CD2-CE1 4.24Å; L214-F258 HydrophobicContact CG-CD1 4.47Å; L214-F258 HydrophobicContact CG-CE1 4.31Å; L256-F258 HydrophobicContact CB-CD2 4.34Å; L256-F258 HydrophobicContact CB-CE2 3.71Å; L256-F258 HydrophobicContact CB-CZ 4.14Å; L256-F258 HydrophobicContact CD1-CE2 4.17Å; L256-F258 HydrophobicContact CD1-CZ 3.95Å; F258-E274 CarbonylContact O-C 3.52Å; F258-E274 VanDerWaalsContact O-CA 3.26Å; F258-E274 WeakPolarHBondContact O-CA 3.1Å; F258-E274 WeakPolarHBondContact O-CB 3.38Å; F258-T275 PolarHBondContact N-O 3.44Å; F258-T275 PolarHBondContact O-N 3.42Å; F258-V277 HydrophobicContact CD2-CG2 4.21Å; F258-V277 HydrophobicContact CE2-CG2 3.99Å |
| 259 | M | 95.6 | Very high | 89 | Confident | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 118.1 | 173.4 | -176.5 | -173.3 | -55.6 | 0 | 0 | 107.8 | I212 K213 L261 V271 R298 | I212-M259 WeakPolarHBondContact CA-O 3.2Å; K213-M259 HydrophobicContact CB-CB 4.3Å; K213-M259 HydrophobicContact CD-SD 4.34Å; K213-M259 PolarHBondContact N-O 3.07Å; K213-M259 PolarHBondContact O-N 3.22Å; M259-L261 HydrophobicContact CB-CD1 4.37Å; M259-L261 HydrophobicContact CG-CD1 3.87Å; M259-L261 HydrophobicContact CG-CG 4.31Å; M259-L261 WeakPolarHBondContact O-CD1 3.38Å; M259-L261 HydrophobicContact SD-CD1 4.18Å; M259-V271 HydrophobicContact CG-CG1 4.43Å; M259-R298 VanDerWaalsContact CE-CZ 3.42Å; M259-R298 PolarHBondContact SD-NH1 2.73Å; M259-R298 VanDerWaalsContact SD-NH1 3.45Å |
| 260 | V | 97.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 123.6 | -176.7 | -169.6 | 0 | 0 | 0 | 0 | 107.9 | L198 I212 I272 G273 I295 | L198-V260 HydrophobicContact CD1-CG1 4.24Å; L198-V260 HydrophobicContact CD2-CG1 4.14Å; I212-V260 HydrophobicContact CD1-CG2 4.24Å; I212-V260 HydrophobicContact CG1-CG1 4.4Å; I212-V260 HydrophobicContact CG1-CG2 4.18Å; V260-I272 HydrophobicContact CB-CB 4.48Å; V260-I272 HydrophobicContact CG1-CB 4.32Å; V260-I272 HydrophobicContact CG1-CD1 4.29Å; V260-I272 PolarHBondContact O-N 3.27Å; V260-G273 PolarHBondContact N-O 3.18Å; V260-G273 PolarHBondContact O-N 2.66Å; V260-I295 HydrophobicContact CG2-CD1 4Å; V260-I295 HydrophobicContact CG2-CG1 4.27Å; V260-I295 HydrophobicContact CG2-CG2 4.33Å |
| 261 | L | 95.8 | Very high | 89 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.5 | -179.3 | -56.2 | 99.7 | 0 | 0 | 0 | 111.2 | P210 Y211 K213 M259 D269 E270 V271 | P210-L261 CarbonylContact C-O 3.52Å; P210-L261 VanDerWaalsContact CA-O 3.25Å; P210-L261 WeakPolarHBondContact CA-O 3.49Å; Y211-L261 HydrophobicContact CD1-CB 4.26Å; Y211-L261 HydrophobicContact CE1-CB 3.9Å; Y211-L261 HydrophobicContact CE2-CD1 4.24Å; Y211-L261 PolarHBondContact N-O 2.79Å; Y211-L261 PolarHBondContact O-N 2.89Å; K213-L261 HydrophobicContact CB-CD1 4.34Å; K213-L261 HydrophobicContact CD-CD1 3.56Å; K213-L261 HydrophobicContact CG-CD1 3.71Å; M259-L261 HydrophobicContact CB-CD1 4.37Å; M259-L261 HydrophobicContact CG-CD1 3.87Å; M259-L261 HydrophobicContact CG-CG 4.31Å; M259-L261 WeakPolarHBondContact O-CD1 3.38Å; M259-L261 HydrophobicContact SD-CD1 4.18Å; L261-D269 HydrophobicContact CB-CB 4.34Å; L261-D269 HydrophobicContact CD2-CB 3.93Å; L261-E270 CarbonylContact C-O 3.53Å; L261-E270 WeakPolarHBondContact CA-O 3.33Å; L261-E270 VanDerWaalsContact CB-O 3.28Å; L261-E270 WeakPolarHBondContact CB-O 3.39Å; L261-V271 HydrophobicContact CD2-CG2 3.76Å; L261-V271 HydrophobicContact CG-CG2 4.24Å |
| 262 | S | 94.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.049 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 132.1 | 163.8 | -165.2 | 0 | 0 | 0 | 0 | 109.1 | T201 S208 D209 D269 E270 | T201-S262 WeakPolarHBondContact OG1-CB 3.26Å; T201-S262 PolarHBondContact OG1-OG 2.87Å; S208-S262 WeakPolarHBondContact CA-OG 3.19Å; S208-S262 WeakPolarHBondContact CB-OG 3.43Å; D209-S262 PolarHBondContact N-OG 2.81Å; S262-D269 CarbonylContact O-C 3.54Å; S262-D269 WeakPolarHBondContact O-CA 3.42Å; S262-D269 WeakPolarHBondContact O-CB 3.48Å; S262-E270 PolarHBondContact N-O 2.95Å; S262-E270 PolarHBondContact O-N 2.99Å |
| 263 | F | 93 | Very high | 89.4 | Confident | 80 Ų | 80 | 57.4 Ų | 57.4 | 35% | 0.351 | 27% | 0.27 | S | S | . | . | trans | -81.1 | 133 | 178.3 | 169.7 | -101 | 0 | 0 | 0 | 111.6 | D209 Y211 V228 R265 D269 | D209-F263 HydrophobicContact CB-CB 4.11Å; D209-F263 WeakPolarHBondContact O-CB 3.37Å; D209-F263 PolarHBondContact O-N 3.09Å; Y211-F263 HydrophobicContact CD1-CB 4.11Å; Y211-F263 HydrophobicContact CE1-CB 4.2Å; V228-F263 HydrophobicContact CB-CB 4.47Å; V228-F263 HydrophobicContact CG1-CB 3.66Å; V228-F263 HydrophobicContact CG1-CD1 4.13Å; V228-F263 HydrophobicContact CG1-CG 4.08Å; V228-F263 HydrophobicContact CG2-CB 3.9Å; V228-F263 HydrophobicContact CG2-CD2 4.38Å; V228-F263 HydrophobicContact CG2-CG 4.06Å; F263-R265 HydrophobicContact CE1-CB 4.4Å; F263-D269 WeakPolarHBondContact CA-OD1 3.36Å; F263-D269 WeakPolarHBondContact CD2-OD1 3.24Å | ||
| 264 | D | 85.1 | Confident | 89.7 | Confident | 60 Ų | 60 | 52 Ų | 52 | 32% | 0.321 | 25% | 0.245 | S | C | . | . | trans | -117.4 | 140.9 | 170.2 | -165.9 | -37.4 | 0 | 0 | 0 | 110.3 | F266 S267 D269 | D264-F266 PolarHBondContact OD1-N 3.03Å; D264-S267 VanDerWaalsContact CG-N 3.34Å; D264-S267 PolarHBondContact OD1-N 2.91Å; D264-S267 VanDerWaalsContact OD2-CB 3.27Å; D264-S267 WeakPolarHBondContact OD2-CB 3.47Å; D264-S267 PolarHBondContact OD2-OG 3.19Å; D264-D269 PolarHBondContact N-OD1 2.8Å | ||
| 265 | R | 84.8 | Confident | 89.9 | Confident | 193 Ų | 193 | 51.3 Ų | 51.3 | 73% | 0.728 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -82.9 | -29.6 | 178.1 | 179.3 | 175.1 | -179.8 | 179.4 | 1.8 | 113.4 | F263 | F263-R265 HydrophobicContact CE1-CB 4.4Š|
| 266 | F | 76.8 | Confident | 89.9 | Confident | 184 Ų | 184 | 55.2 Ų | 55.2 | 81% | 0.807 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -119.3 | -18.9 | -170 | -55.5 | -65.6 | 0 | 0 | 0 | 112.9 | D264 | D264-F266 PolarHBondContact OD1-N 3.03Š|
| 267 | S | 75.8 | Confident | 89.9 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 50% | 0.497 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -117 | -155.9 | 173.7 | 96.2 | 0 | 0 | 0 | 0 | 112 | D264 | D264-S267 VanDerWaalsContact CG-N 3.34Å; D264-S267 PolarHBondContact OD1-N 2.91Å; D264-S267 VanDerWaalsContact OD2-CB 3.27Å; D264-S267 WeakPolarHBondContact OD2-CB 3.47Å; D264-S267 PolarHBondContact OD2-OG 3.19Å |
| 268 | R | 72.5 | Confident | 89.8 | Confident | 156 Ų | 156 | 57.5 Ų | 57.5 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -99.4 | 141.1 | 177 | -77.6 | 179.6 | -77.8 | 167.6 | -3.9 | 109.6 | E270 E336 | R268-E270 PolarHBondContact O-N 3.06Å; R268-E270 VanDerWaalsContact O-N 3.17Å; R268-E336 WeakPolarHBondContact CD-OE2 3.24Å; R268-E336 IonicContact CZ-OE2 3.6Å; R268-E336 IonicContact NE-OE2 2.93Å; R268-E336 IonicContact NH1-OE2 3.97Å; R268-E336 PolarHBondContact NH1-OE2 2.92Å |
| 269 | D | 84.8 | Confident | 89.5 | Confident | 48 Ų | 48 | 57.6 Ų | 57.6 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 120.1 | 174.6 | -57 | -25.2 | 0 | 0 | 0 | 111.8 | Y211 K213 L261 S262 F263 D264 | Y211-D269 HydrophobicContact CE1-CB 4.31Å; Y211-D269 WeakPolarHBondContact CE1-OD2 3.44Å; Y211-D269 PolarHBondContact OH-OD2 2.76Å; K213-D269 IonicContact NZ-OD2 3.45Å; L261-D269 HydrophobicContact CB-CB 4.34Å; L261-D269 HydrophobicContact CD2-CB 3.93Å; S262-D269 CarbonylContact O-C 3.54Å; S262-D269 WeakPolarHBondContact O-CA 3.42Å; S262-D269 WeakPolarHBondContact O-CB 3.48Å; F263-D269 WeakPolarHBondContact CA-OD1 3.36Å; F263-D269 WeakPolarHBondContact CD2-OD1 3.24Å; D264-D269 PolarHBondContact N-OD1 2.8Å |
| 270 | E | 85.8 | Confident | 89.2 | Confident | 100 Ų | 100 | 60 Ų | 60 | 47% | 0.467 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 139 | 179.4 | -62.4 | -153.3 | 150.3 | 0 | 0 | 111.2 | T201 L261 S262 R268 I272 | T201-E270 VanDerWaalsContact CB-OE2 3.29Å; T201-E270 WeakPolarHBondContact CB-OE2 3.34Å; T201-E270 HydrophobicContact CG2-CB 4.06Å; T201-E270 WeakPolarHBondContact CG2-OE2 3.28Å; L261-E270 CarbonylContact C-O 3.53Å; L261-E270 WeakPolarHBondContact CA-O 3.33Å; L261-E270 VanDerWaalsContact CB-O 3.28Å; L261-E270 WeakPolarHBondContact CB-O 3.39Å; S262-E270 PolarHBondContact N-O 2.95Å; S262-E270 PolarHBondContact O-N 2.99Å; R268-E270 PolarHBondContact O-N 3.06Å; R268-E270 VanDerWaalsContact O-N 3.17Å; E270-I272 PolarHBondContact O-N 2.9Å |
| 271 | V | 92.1 | Very high | 88.6 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.3 | 176 | 178.6 | 0 | 0 | 0 | 0 | 109.1 | M259 L261 R298 | M259-V271 HydrophobicContact CG-CG1 4.43Å; L261-V271 HydrophobicContact CD2-CG2 3.76Å; L261-V271 HydrophobicContact CG-CG2 4.24Å; V271-R298 HydrophobicContact CG1-CB 4.03Å |
| 272 | I | 93.3 | Very high | 88.3 | Confident | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -50.2 | 172.2 | -59.3 | 174.2 | 0 | 0 | 0 | 108.7 | L172 L198 T201 V260 E270 | L172-I272 WeakPolarHBondContact CD1-O 3.42Å; L198-I272 HydrophobicContact CB-CD1 4.48Å; L198-I272 HydrophobicContact CD1-CD1 4.19Å; L198-I272 HydrophobicContact CD2-CG2 4.43Å; T201-I272 HydrophobicContact CG2-CD1 4.38Å; T201-I272 HydrophobicContact CG2-CG1 3.85Å; V260-I272 HydrophobicContact CB-CB 4.48Å; V260-I272 HydrophobicContact CG1-CB 4.32Å; V260-I272 HydrophobicContact CG1-CD1 4.29Å; V260-I272 PolarHBondContact O-N 3.27Å; E270-I272 PolarHBondContact O-N 2.9Å |
| 273 | G | 93.4 | Very high | 88 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | -167.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V260 I296 | V260-G273 PolarHBondContact N-O 3.18Å; V260-G273 PolarHBondContact O-N 2.66Å; G273-I296 WeakPolarHBondContact CA-O 3.24Å |
| 274 | E | 94.4 | Very high | 87.9 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 12% | 0.117 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.3 | 175.3 | 78.1 | -167.1 | 155 | 0 | 0 | 112.3 | H257 F258 I296 R298 N299 | H257-E274 IonicContact CD2-OE2 2.79Å; H257-E274 IonicContact CE1-OE2 3.23Å; H257-E274 PolarHBondContact CE1-OE2 2.76Å; H257-E274 IonicContact NE2-OE2 3.64Å; H257-E274 PolarHBondContact NE2-OE2 3.28Å; F258-E274 CarbonylContact O-C 3.52Å; F258-E274 VanDerWaalsContact O-CA 3.26Å; F258-E274 WeakPolarHBondContact O-CA 3.1Å; F258-E274 WeakPolarHBondContact O-CB 3.38Å; E274-I296 HydrophobicContact CG-CG1 4.27Å; E274-I296 PolarHBondContact N-O 3.41Å; E274-I296 WeakPolarHBondContact O-CG1 3.24Å; E274-I296 PolarHBondContact O-N 3.01Å; E274-R298 HydrophobicContact CB-CB 4.5Å; E274-R298 HydrophobicContact CG-CB 4.27Å; E274-R298 HydrophobicContact CG-CG 4.31Å; E274-R298 WeakPolarHBondContact OE1-CA 3.43Å; E274-R298 WeakPolarHBondContact OE1-CG 3.41Å; E274-R298 IonicContact OE2-NE 3.72Å; E274-R298 PolarHBondContact OE2-NE 2.61Å; E274-N299 PolarHBondContact OE1-N 3.07Å; E274-N299 VanDerWaalsContact OE1-N 3.07Å |
| 275 | T | 94.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.037 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 123.4 | 171.7 | -55.1 | 0 | 0 | 0 | 0 | 107.7 | F258 V277 R293 E294 | F258-T275 PolarHBondContact N-O 3.44Å; F258-T275 PolarHBondContact O-N 3.42Å; T275-V277 HydrophobicContact CG2-CG2 3.84Å; T275-R293 HydrophobicContact CG2-CB 3.47Å; T275-R293 VanDerWaalsContact CG2-CB 3.47Å; T275-R293 HydrophobicContact CG2-CG 4.07Å; T275-E294 PolarHBondContact OG1-O 2.81Å; T275-E294 VanDerWaalsContact OG1-O 3.13Å |
| 276 | L | 93.7 | Very high | 87.5 | Confident | 97 Ų | 97 | 67 Ų | 67 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130.2 | 174.5 | -176.3 | 69.4 | 0 | 0 | 0 | 109.3 | L217 A255 H257 | L217-L276 HydrophobicContact CD1-CD1 3.87Å; A255-L276 HydrophobicContact CB-CD1 4.16Å; H257-L276 HydrophobicContact CB-CD1 4.14Å |
| 277 | V | 93.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 95.9 | -174.4 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | F177 A255 L256 F258 T275 I282 M291 R293 | F177-V277 HydrophobicContact CZ-CG1 4.37Å; F177-V277 HydrophobicContact CZ-CG2 3.92Å; A255-V277 CarbonylContact C-O 3.56Å; A255-V277 VanDerWaalsContact CA-O 3.32Å; A255-V277 WeakPolarHBondContact CA-O 3.26Å; L256-V277 HydrophobicContact CB-CB 4.36Å; L256-V277 PolarHBondContact N-O 3.13Å; L256-V277 PolarHBondContact O-N 2.71Å; F258-V277 HydrophobicContact CD2-CG2 4.21Å; F258-V277 HydrophobicContact CE2-CG2 3.99Å; T275-V277 HydrophobicContact CG2-CG2 3.84Å; V277-I282 HydrophobicContact CG1-CD1 4.29Å; V277-M291 HydrophobicContact CG1-CE 3.76Å; V277-M291 HydrophobicContact CG1-SD 4.41Å; V277-R293 HydrophobicContact CG2-CG 4.26Å |
| 278 | P | 92.4 | Very high | 88.7 | Confident | 73 Ų | 73 | 63.4 Ų | 63.4 | 47% | 0.474 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 136.6 | 166.1 | -20.9 | 33.3 | 0 | 0 | 0 | 109.9 | ||
| 279 | L | 91.4 | Very high | 89.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | trans | -93 | -4.1 | 177 | -57.2 | -176.4 | 0 | 0 | 0 | 112.5 | L179 F188 L216 V251 L254 L256 G281 I282 | L179-L279 HydrophobicContact CD1-CD2 3.59Å; F188-L279 HydrophobicContact CD1-CD1 4.49Å; F188-L279 HydrophobicContact CE1-CD1 3.52Å; F188-L279 HydrophobicContact CE2-CD1 4.35Å; F188-L279 HydrophobicContact CZ-CD1 3.43Å; F188-L279 VanDerWaalsContact CZ-CD1 3.43Å; F188-L279 HydrophobicContact CZ-CD2 4.21Å; F188-L279 HydrophobicContact CZ-CG 4.5Å; L216-L279 HydrophobicContact CD1-CD1 4.47Å; V251-L279 HydrophobicContact CG1-CB 4.29Å; V251-L279 HydrophobicContact CG1-CD1 3.68Å; V251-L279 VanDerWaalsContact O-CB 3.24Å; V251-L279 WeakPolarHBondContact O-CB 3.2Å; L254-L279 HydrophobicContact CB-CD1 4.12Å; L254-L279 WeakPolarHBondContact O-CB 3.41Å; L254-L279 PolarHBondContact O-N 3.07Å; L256-L279 HydrophobicContact CD1-CD2 4.01Å; L256-L279 HydrophobicContact CG-CD1 4.33Å; L256-L279 HydrophobicContact CG-CD2 4.15Å; L279-G281 PolarHBondContact O-N 3.07Å; L279-I282 HydrophobicContact CD2-CD1 3.92Å; L279-I282 PolarHBondContact O-N 2.83Å | ||
| 280 | S | 89.7 | Confident | 90.4 | Very high | 75 Ų | 75 | 61.1 Ų | 61.1 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 123.7 | 169.6 | 56 | 0 | 0 | 0 | 0 | 110.9 | S252 I282 | S252-S280 WeakPolarHBondContact O-CA 3.37Å; S252-S280 WeakPolarHBondContact O-CB 3.19Å; S252-S280 PolarHBondContact O-N 3.17Å; S280-I282 VanDerWaalsContact C-N 3.32Å |
| 281 | G | 84.8 | Confident | 90.8 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 90% | 0.897 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 4.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L279 | L279-G281 PolarHBondContact O-N 3.07Š|
| 282 | I | 89.5 | Confident | 91 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 20% | 0.2 | 34% | 0.338 | C | S | . | . | trans | -89.9 | 113.1 | 168.2 | -54.1 | -173.6 | 0 | 0 | 0 | 108.2 | L179 V277 L279 S280 L284 V289 M291 | L179-I282 HydrophobicContact CD1-CD1 4.08Å; V277-I282 HydrophobicContact CG1-CD1 4.29Å; L279-I282 HydrophobicContact CD2-CD1 3.92Å; L279-I282 PolarHBondContact O-N 2.83Å; S280-I282 VanDerWaalsContact C-N 3.32Å; I282-L284 HydrophobicContact CG2-CD2 3.86Å; I282-L284 HydrophobicContact CG2-CG 4.13Å; I282-V289 HydrophobicContact CG2-CG1 4.42Å; I282-V289 HydrophobicContact CG2-CG2 4.3Å; I282-M291 HydrophobicContact CD1-CE 3.59Å; I282-M291 HydrophobicContact CD1-SD 4Å | ||
| 283 | D | 88.5 | Confident | 91.2 | Very high | 94 Ų | 94 | 62.7 Ų | 62.7 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | trans | -75.6 | 127.4 | 171 | -162.3 | -14.5 | 0 | 0 | 0 | 110.2 | S285 V289 | D283-S285 VanDerWaalsContact OD1-CB 3.24Å; D283-S285 WeakPolarHBondContact OD1-CB 3.11Å; D283-S285 PolarHBondContact OD1-N 3Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; D283-S285 PolarHBondContact OD2-OG 3.03Å; D283-V289 WeakPolarHBondContact O-CG2 3.43Å | ||
| 284 | L | 90.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 3% | 0.026 | 39% | 0.389 | C | S | . | . | trans | -123.4 | 10.6 | 177.4 | -60.2 | 173.2 | 0 | 0 | 0 | 111.5 | L179 F188 L248 V251 I282 V289 | L179-L284 HydrophobicContact CB-CD2 3.72Å; F188-L284 HydrophobicContact CD2-CD1 3.98Å; F188-L284 HydrophobicContact CE2-CD1 3.6Å; L248-L284 HydrophobicContact CD1-CB 4.31Å; V251-L284 HydrophobicContact CG1-CD1 3.79Å; I282-L284 HydrophobicContact CG2-CD2 3.86Å; I282-L284 HydrophobicContact CG2-CG 4.13Å; L284-V289 HydrophobicContact CD2-CB 4.33Å; L284-V289 HydrophobicContact CD2-CG2 3.93Å | ||
| 285 | S | 83.5 | Confident | 91.4 | Very high | 80 Ų | 80 | 68.9 Ų | 68.9 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -77.5 | -36 | 178 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | D283 G287 | D283-S285 VanDerWaalsContact OD1-CB 3.24Å; D283-S285 WeakPolarHBondContact OD1-CB 3.11Å; D283-S285 PolarHBondContact OD1-N 3Å; D283-S285 PolarHBondContact OD1-OG 3.13Å; D283-S285 PolarHBondContact OD2-OG 3.03Å; S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.85Å |
| 286 | E | 77.6 | Confident | 91.2 | Very high | 186 Ų | 186 | 72.9 Ų | 72.9 | 87% | 0.869 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -84.2 | -2.5 | -178.9 | -56.2 | -167.2 | 153.1 | 0 | 0 | 114 | ||
| 287 | G | 85.6 | Confident | 90.9 | Very high | 28 Ų | 28 | 76.7 Ų | 76.7 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 126.5 | -130.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | S285 | S285-G287 VanDerWaalsContact C-N 3.33Å; S285-G287 PolarHBondContact O-N 2.85Å |
| 288 | R | 93.1 | Very high | 90.2 | Very high | 151 Ų | 151 | 80.9 Ų | 80.9 | 57% | 0.57 | 43% | 0.433 | S | S | * | . | trans | -92.9 | 115.4 | -171.6 | -177.8 | -179.4 | -65.4 | -171.5 | 0.5 | 112.2 | L179 E180 | L179-R288 CarbonylContact O-C 3.49Å; L179-R288 WeakPolarHBondContact O-CA 3.2Å; E180-R288 HydrophobicContact CB-CB 4.37Å; E180-R288 HydrophobicContact CB-CG 4.48Å; E180-R288 HydrophobicContact CG-CB 4.38Å; E180-R288 IonicContact OE2-CZ 3.73Å; E180-R288 IonicContact OE2-NE 3.9Å; E180-R288 PolarHBondContact OE2-NE 3.09Å; E180-R288 IonicContact OE2-NH2 3.56Å; E180-R288 PolarHBondContact OE2-NH2 2.79Å | ||
| 289 | V | 95.7 | Very high | 88.4 | Confident | 43 Ų | 43 | 83.1 Ų | 83.1 | 26% | 0.261 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 129.2 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 110.2 | S178 L179 I282 D283 L284 M291 | S178-V289 CarbonylContact C-O 3.54Å; S178-V289 WeakPolarHBondContact CA-O 3.49Å; S178-V289 VanDerWaalsContact CB-O 3.22Å; S178-V289 WeakPolarHBondContact CB-O 3.29Å; L179-V289 PolarHBondContact N-O 2.87Å; L179-V289 PolarHBondContact O-N 2.86Å; I282-V289 HydrophobicContact CG2-CG1 4.42Å; I282-V289 HydrophobicContact CG2-CG2 4.3Å; D283-V289 WeakPolarHBondContact O-CG2 3.43Å; L284-V289 HydrophobicContact CD2-CB 4.33Å; L284-V289 HydrophobicContact CD2-CG2 3.93Å; V289-M291 HydrophobicContact CG1-CG 4.11Å |
| 290 | L | 96.2 | Very high | 86.5 | Confident | 113 Ų | 113 | 87.2 Ų | 87.2 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 135.6 | 171.1 | -75.8 | 160.3 | 0 | 0 | 0 | 109.9 | K193 | K193-L290 HydrophobicContact CD-CD2 4.45Å; K193-L290 VanDerWaalsContact NZ-CD2 3.29Å |
| 291 | M | 95.3 | Very high | 84.3 | Confident | 25 Ų | 25 | 92.6 Ų | 92.6 | 12% | 0.123 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 144.4 | 175.3 | -72.6 | -159 | -74.2 | 0 | 0 | 112.4 | F177 L179 V277 I282 V289 | F177-M291 HydrophobicContact CE1-CB 4.01Å; F177-M291 HydrophobicContact CE2-CB 4.17Å; F177-M291 HydrophobicContact CE2-CE 3.54Å; F177-M291 HydrophobicContact CZ-CB 3.8Å; F177-M291 HydrophobicContact CZ-CE 3.7Å; F177-M291 PolarHBondContact N-O 2.9Å; F177-M291 PolarHBondContact O-N 2.85Å; F177-M291 VanDerWaalsContact O-O 3.1Å; L179-M291 HydrophobicContact CD1-CE 3.36Å; L179-M291 HydrophobicContact CG-CE 3.87Å; V277-M291 HydrophobicContact CG1-CE 3.76Å; V277-M291 HydrophobicContact CG1-SD 4.41Å; I282-M291 HydrophobicContact CD1-CE 3.59Å; I282-M291 HydrophobicContact CD1-SD 4Å; V289-M291 HydrophobicContact CG1-CG 4.11Å |
| 292 | S | 96.5 | Very high | 82.1 | Confident | 64 Ų | 64 | 95.2 Ų | 95.2 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 134.8 | 166.9 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | T174 L175 H176 | T174-S292 WeakPolarHBondContact CG2-OG 3.4Å; L175-S292 WeakPolarHBondContact O-CA 3.24Å; H176-S292 PolarHBondContact CE1-OG 2.88Å |
| 293 | R | 96.1 | Very high | 79.9 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 46% | 0.457 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135.5 | -179.9 | -66.5 | -65.7 | 175.7 | 180 | -3.8 | 110 | L175 F177 T275 V277 | L175-R293 PolarHBondContact N-O 2.9Å; L175-R293 PolarHBondContact O-N 3.34Å; F177-R293 HydrophobicContact CE1-CB 4.27Å; F177-R293 HydrophobicContact CE1-CG 3.85Å; F177-R293 HydrophobicContact CZ-CG 4.11Å; T275-R293 HydrophobicContact CG2-CB 3.47Å; T275-R293 VanDerWaalsContact CG2-CB 3.47Å; T275-R293 HydrophobicContact CG2-CG 4.07Å; V277-R293 HydrophobicContact CG2-CG 4.26Å |
| 294 | E | 95.9 | Very high | 77.9 | Confident | 149 Ų | 149 | 99.2 Ų | 99.2 | 70% | 0.696 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.5 | 172.3 | -63.7 | -179 | 166.1 | 0 | 0 | 110.7 | T275 | T275-E294 PolarHBondContact OG1-O 2.81Å; T275-E294 VanDerWaalsContact OG1-O 3.13Å |
| 295 | I | 95.7 | Very high | 76.3 | Confident | 6 Ų | 6 | 99.6 Ų | 99.6 | 3% | 0.031 | 50% | 0.499 | C | S | . | . | trans | -87.2 | 112 | 171 | -62.4 | 166.4 | 0 | 0 | 0 | 106.1 | L172 G173 L175 A195 L198 V260 | L172-I295 HydrophobicContact CB-CB 4.35Å; L172-I295 HydrophobicContact CB-CG2 4.05Å; G173-I295 WeakPolarHBondContact O-CB 3.45Å; G173-I295 PolarHBondContact O-N 2.78Å; L175-I295 HydrophobicContact CB-CD1 4.38Å; L175-I295 HydrophobicContact CB-CG1 4.14Å; A195-I295 HydrophobicContact CB-CD1 4.38Å; L198-I295 HydrophobicContact CD2-CD1 3.3Å; V260-I295 HydrophobicContact CG2-CD1 4Å; V260-I295 HydrophobicContact CG2-CG1 4.27Å; V260-I295 HydrophobicContact CG2-CG2 4.33Å | ||
| 296 | I | 91.6 | Very high | 75.7 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 46% | 0.456 | 48% | 0.483 | S | S | . | . | B | Isolated β-bridge | trans | -89.3 | 150.7 | 179.9 | 59.3 | 164.4 | 0 | 0 | 0 | 110.2 | G273 E274 R298 | G273-I296 WeakPolarHBondContact CA-O 3.24Å; E274-I296 HydrophobicContact CG-CG1 4.27Å; E274-I296 PolarHBondContact N-O 3.41Å; E274-I296 WeakPolarHBondContact O-CG1 3.24Å; E274-I296 PolarHBondContact O-N 3.01Å; I296-R298 PolarHBondContact O-N 2.89Å |
| 297 | K | 86 | Confident | 75.8 | Confident | 177 Ų | 177 | 89.9 Ų | 89.9 | 77% | 0.77 | 44% | 0.442 | S | S | * | . | trans | -58 | 119.9 | 171.8 | -166.5 | 166.9 | -171.3 | 164.1 | 0 | 107.5 | L172 N299 | L172-K297 HydrophobicContact CD1-CB 3.72Å; L172-K297 HydrophobicContact CD1-CG 4.19Å; K297-N299 PolarHBondContact O-N 3.01Å | ||
| 298 | R | 79.3 | Confident | 76 | Confident | 91 Ų | 91 | 90.4 Ų | 90.4 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | trans | -51 | 113.9 | -176.7 | 177 | 163.9 | -166.2 | -160 | -3.7 | 108.6 | M259 V271 E274 I296 V300 | M259-R298 VanDerWaalsContact CE-CZ 3.42Å; M259-R298 PolarHBondContact SD-NH1 2.73Å; M259-R298 VanDerWaalsContact SD-NH1 3.45Å; V271-R298 HydrophobicContact CG1-CB 4.03Å; E274-R298 HydrophobicContact CB-CB 4.5Å; E274-R298 HydrophobicContact CG-CB 4.27Å; E274-R298 HydrophobicContact CG-CG 4.31Å; E274-R298 WeakPolarHBondContact OE1-CA 3.43Å; E274-R298 WeakPolarHBondContact OE1-CG 3.41Å; E274-R298 IonicContact OE2-NE 3.72Å; E274-R298 PolarHBondContact OE2-NE 2.61Å; I296-R298 PolarHBondContact O-N 2.89Å; R298-V300 HydrophobicContact CB-CG2 4.42Å; R298-V300 HydrophobicContact CG-CG2 3.67Å; R298-V300 PolarHBondContact O-N 2.92Å | ||
| 299 | N | 53.7 | Low | 75.9 | Confident | 121 Ų | 121 | 83.2 Ų | 83.2 | 65% | 0.647 | 41% | 0.41 | S | S | * | . | trans | -81.4 | 67 | 178.5 | -158.5 | -48.6 | 0 | 0 | 0 | 107.6 | E274 K297 K301 | E274-N299 PolarHBondContact OE1-N 3.07Å; E274-N299 VanDerWaalsContact OE1-N 3.07Å; K297-N299 PolarHBondContact O-N 3.01Å; N299-K301 PolarHBondContact O-N 2.96Å; N299-K301 PolarHBondContact OD1-N 3.29Å; N299-K301 VanDerWaalsContact OD1-N 3.12Å | ||
| 300 | V | 52.7 | Low | 75.9 | Confident | 87 Ų | 87 | 82.4 Ų | 82.4 | 53% | 0.527 | 40% | 0.404 | S | S | . | . | trans | -61.3 | 89.3 | 145.8 | -142.6 | 0 | 0 | 0 | 0 | 104.6 | R298 K302 | R298-V300 HydrophobicContact CB-CG2 4.42Å; R298-V300 HydrophobicContact CG-CG2 3.67Å; R298-V300 PolarHBondContact O-N 2.92Å; V300-K302 HydrophobicContact CG1-CG 4.48Å; V300-K302 PolarHBondContact O-N 3.45Å | ||
| 301 | K | 42.3 | Very low | 75.9 | Confident | 188 Ų | 188 | 77 Ų | 77 | 82% | 0.817 | 38% | 0.376 | S | S | * | . | -48.2 | 88.1 | 125.5 | -80.3 | -171.2 | 178.1 | -178.6 | 0 | 104.5 | N299 S303 | N299-K301 PolarHBondContact O-N 2.96Å; N299-K301 PolarHBondContact OD1-N 3.29Å; N299-K301 VanDerWaalsContact OD1-N 3.12Å; K301-S303 PolarHBondContact O-N 3.34Å | |||
| 302 | K | 39.3 | Very low | 76 | Confident | 142 Ų | 142 | 76.2 Ų | 76.2 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | trans | -43.6 | 137.2 | 167.3 | -74.3 | 177.5 | 176 | -179.7 | 0 | 104.4 | V300 L304 | V300-K302 HydrophobicContact CG1-CG 4.48Å; V300-K302 PolarHBondContact O-N 3.45Å; K302-L304 HydrophobicContact CB-CB 4.07Å; K302-L304 HydrophobicContact CB-CD1 4.01Å; K302-L304 HydrophobicContact CB-CG 3.64Å; K302-L304 HydrophobicContact CD-CD1 4.15Å; K302-L304 HydrophobicContact CD-CD2 4.31Å; K302-L304 HydrophobicContact CD-CG 3.81Å; K302-L304 HydrophobicContact CG-CG 4.36Å; K302-L304 PolarHBondContact O-N 2.98Å | ||
| 303 | S | 42.3 | Very low | 76.1 | Confident | 75 Ų | 75 | 73.2 Ų | 73.2 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | trans | -59.7 | 76.4 | 140.8 | 49.8 | 0 | 0 | 0 | 0 | 106.3 | K301 G305 | K301-S303 PolarHBondContact O-N 3.34Å; S303-G305 CarbonylContact C-O 3.51Å; S303-G305 VanDerWaalsContact O-O 3.09Å | ||
| 304 | L | 47.2 | Very low | 76 | Confident | 143 Ų | 143 | 68 Ų | 68 | 75% | 0.749 | 33% | 0.334 | S | S | * | . | trans | -70.1 | -30.8 | 171.8 | -106.4 | 154.6 | 0 | 0 | 0 | 108.3 | K302 | K302-L304 HydrophobicContact CB-CB 4.07Å; K302-L304 HydrophobicContact CB-CD1 4.01Å; K302-L304 HydrophobicContact CB-CG 3.64Å; K302-L304 HydrophobicContact CD-CD1 4.15Å; K302-L304 HydrophobicContact CD-CD2 4.31Å; K302-L304 HydrophobicContact CD-CG 3.81Å; K302-L304 HydrophobicContact CG-CG 4.36Å; K302-L304 PolarHBondContact O-N 2.98Å | ||
| 305 | G | 56.3 | Low | 76 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 12% | 0.124 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -66.6 | 136.2 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S303 G307 T443 M444 | S303-G305 CarbonylContact C-O 3.51Å; S303-G305 VanDerWaalsContact O-O 3.09Å; G305-G307 PolarHBondContact O-N 3.34Å; G305-T443 VanDerWaalsContact CA-CG2 3.44Å; G305-M444 WeakPolarHBondContact CA-O 3.29Å |
| 306 | R | 70.3 | Confident | 75.8 | Confident | 62 Ų | 62 | 65.3 Ų | 65.3 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -73 | 49 | 172.4 | -83.5 | 157.8 | 155.8 | -116.1 | 14.7 | 111.6 | P333 V409 I410 M444 S445 E446 | R306-P333 HydrophobicContact CB-CG 4.39Å; R306-P333 HydrophobicContact CG-CG 4.49Å; R306-V409 PolarHBondContact NH1-O 2.99Å; R306-I410 WeakPolarHBondContact CB-O 3.15Å; R306-I410 WeakPolarHBondContact CD-O 3.1Å; R306-I410 WeakPolarHBondContact CG-O 3.23Å; R306-I410 PolarHBondContact NH1-O 3.29Å; R306-M444 HydrophobicContact CB-CB 4.07Å; R306-M444 PolarHBondContact N-O 2.83Å; R306-S445 WeakPolarHBondContact CD-O 3.32Å; R306-E446 VanDerWaalsContact CD-CA 3.49Å; R306-E446 IonicContact CZ-OE1 3.71Å; R306-E446 IonicContact NE-OE1 2.76Å; R306-E446 PolarHBondContact NE-OE1 2.88Å; R306-E446 IonicContact NH2-OE1 2.76Å; R306-E446 PolarHBondContact NH2-OE1 3.26Å |
| 307 | G | 80.7 | Confident | 75.6 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | trans | 92.2 | 171.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G305 R330 H331 M444 | G305-G307 PolarHBondContact O-N 3.34Å; G307-R330 WeakPolarHBondContact CA-O 3.47Å; G307-H331 WeakPolarHBondContact CA-O 3.1Å; G307-M444 WeakPolarHBondContact O-CG 3.4Å; G307-M444 PolarHBondContact O-N 3.4Å | ||
| 308 | E | 88.9 | Confident | 75.7 | Confident | 38 Ų | 38 | 59.8 Ų | 59.8 | 18% | 0.178 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.6 | 165 | -65.4 | 172 | 106.2 | 0 | 0 | 109.6 | A329 R330 H331 W441 H442 | E308-A329 CarbonylContact O-C 3.49Å; E308-A329 WeakPolarHBondContact O-CA 3.48Å; E308-A329 WeakPolarHBondContact O-CB 3.39Å; E308-R330 HydrophobicContact CB-CG 4.14Å; E308-R330 VanDerWaalsContact CD-NH2 3.34Å; E308-R330 PolarHBondContact N-O 3.33Å; E308-R330 PolarHBondContact O-N 3.33Å; E308-R330 IonicContact OE1-CZ 3.97Å; E308-R330 IonicContact OE1-NH2 3.01Å; E308-R330 PolarHBondContact OE1-NH2 2.9Å; E308-R330 IonicContact OE2-CZ 3.25Å; E308-R330 VanDerWaalsContact OE2-CZ 3.25Å; E308-R330 IonicContact OE2-NE 2.7Å; E308-R330 PolarHBondContact OE2-NE 2.87Å; E308-R330 IonicContact OE2-NH2 2.97Å; E308-R330 PolarHBondContact OE2-NH2 2.99Å; E308-H331 IonicContact OE2-CE1 3.19Å; E308-H331 PolarHBondContact OE2-CE1 3.44Å; E308-H331 IonicContact OE2-CG 2.66Å; E308-H331 IonicContact OE2-ND1 3.36Å; E308-H331 PolarHBondContact OE2-ND1 2.98Å; E308-W441 HydrophobicContact CB-CE3 3.92Å; E308-W441 HydrophobicContact CB-CZ3 4.29Å; E308-H442 CarbonylContact C-O 3.49Å; E308-H442 WeakPolarHBondContact CA-O 3.35Å |
| 309 | L | 92.6 | Very high | 76.2 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.3 | -178.9 | -171.2 | 64.5 | 0 | 0 | 0 | 110.1 | L311 V326 A329 V345 L393 H442 M444 | L309-L311 HydrophobicContact CD2-CD1 4.26Å; L309-L311 HydrophobicContact CD2-CD2 3.72Å; L309-L311 HydrophobicContact CD2-CG 4.1Å; L309-L311 HydrophobicContact CG-CD2 3.77Å; L309-L311 HydrophobicContact CG-CG 4.01Å; L309-V326 HydrophobicContact CD1-CG1 4.04Å; L309-A329 HydrophobicContact CD1-CB 3.8Å; L309-V345 HydrophobicContact CD1-CG2 4.17Å; L309-V345 HydrophobicContact CD2-CG1 4.35Å; L309-V345 HydrophobicContact CD2-CG2 4.38Å; L309-L393 HydrophobicContact CD2-CB 4.27Å; L309-L393 HydrophobicContact CD2-CD2 3.9Å; L309-H442 PolarHBondContact N-O 3.48Å; L309-H442 PolarHBondContact O-N 3.49Å; L309-M444 HydrophobicContact CB-SD 3.66Å; L309-M444 HydrophobicContact CD2-CE 4.43Å; L309-M444 HydrophobicContact CD2-SD 4.1Å |
| 310 | L | 95 | Very high | 77.9 | Confident | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.4 | 171.7 | -179 | 59.4 | 0 | 0 | 0 | 108.5 | L327 K328 A439 K440 W441 | L310-L327 HydrophobicContact CB-CB 4.35Å; L310-L327 HydrophobicContact CD2-CB 4.16Å; L310-L327 HydrophobicContact CD2-CD1 4.04Å; L310-L327 HydrophobicContact CG-CB 4.07Å; L310-L327 HydrophobicContact CG-CD1 3.89Å; L310-L327 WeakPolarHBondContact O-CB 3.13Å; L310-L327 PolarHBondContact O-N 3.09Å; L310-L327 VanDerWaalsContact O-N 3.1Å; L310-K328 HydrophobicContact CB-CG 4.05Å; L310-K328 WeakPolarHBondContact CB-O 3.48Å; L310-K328 HydrophobicContact CD2-CD 4.44Å; L310-K328 HydrophobicContact CD2-CG 4.02Å; L310-K328 PolarHBondContact N-O 2.86Å; L310-A439 HydrophobicContact CD1-CB 4.49Å; L310-K440 WeakPolarHBondContact CD1-O 3.35Å; L310-W441 HydrophobicContact CB-CD2 3.82Å; L310-W441 HydrophobicContact CB-CE3 3.68Å; L310-W441 HydrophobicContact CB-CH2 3.82Å; L310-W441 HydrophobicContact CB-CZ2 3.95Å; L310-W441 HydrophobicContact CB-CZ3 3.67Å; L310-W441 HydrophobicContact CD1-CD2 4.14Å; L310-W441 HydrophobicContact CD1-CG 4.12Å; L310-W441 HydrophobicContact CD2-CZ2 4.1Å; L310-W441 HydrophobicContact CG-CD2 4.46Å; L310-W441 HydrophobicContact CG-CZ2 4.49Å |
| 311 | L | 96.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.9 | 178.1 | -63.2 | 179.6 | 0 | 0 | 0 | 110.2 | L309 V325 V326 L393 L413 L415 H426 A439 K440 | L309-L311 HydrophobicContact CD2-CD1 4.26Å; L309-L311 HydrophobicContact CD2-CD2 3.72Å; L309-L311 HydrophobicContact CD2-CG 4.1Å; L309-L311 HydrophobicContact CG-CD2 3.77Å; L309-L311 HydrophobicContact CG-CG 4.01Å; L311-V325 WeakPolarHBondContact CA-O 3.41Å; L311-V326 HydrophobicContact CD2-CB 4.28Å; L311-V326 HydrophobicContact CD2-CG1 4.21Å; L311-V326 HydrophobicContact CD2-CG2 4.03Å; L311-L393 HydrophobicContact CD1-CD1 3.72Å; L311-L393 HydrophobicContact CD1-CD2 3.64Å; L311-L393 HydrophobicContact CD1-CG 4.31Å; L311-L393 HydrophobicContact CD2-CD2 3.6Å; L311-L393 HydrophobicContact CG-CD2 4.26Å; L311-L413 HydrophobicContact CD1-CD2 3.62Å; L311-L415 HydrophobicContact CD1-CD1 3.83Å; L311-H426 PolarHBondContact O-CE1 3Å; L311-A439 CarbonylContact O-C 3.53Å; L311-A439 VanDerWaalsContact O-CA 3.26Å; L311-A439 WeakPolarHBondContact O-CA 3.46Å; L311-K440 PolarHBondContact N-O 3.37Å; L311-K440 PolarHBondContact O-N 3.39Å |
| 312 | S | 97.4 | Very high | 82.2 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.063 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.3 | 164.9 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | V325 Q437 I438 | S312-V325 PolarHBondContact N-O 2.89Å; S312-V325 PolarHBondContact O-N 2.89Å; S312-Q437 WeakPolarHBondContact OG-CG 3.2Å; S312-Q437 PolarHBondContact OG-NE2 2.9Å; S312-I438 CarbonylContact C-O 3.58Å; S312-I438 WeakPolarHBondContact CA-O 3.17Å; S312-I438 VanDerWaalsContact OG-C 3.29Å; S312-I438 PolarHBondContact OG-O 3.41Å |
| 313 | L | 96.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.3 | -177.7 | -56.9 | 174.9 | 0 | 0 | 0 | 109.3 | T323 V324 L415 H426 W427 I430 Q437 I438 | L313-T323 WeakPolarHBondContact CA-O 3.26Å; L313-V324 HydrophobicContact CD2-CB 4.2Å; L313-V324 HydrophobicContact CD2-CG1 3.94Å; L313-V324 HydrophobicContact CD2-CG2 3.86Å; L313-L415 HydrophobicContact CD1-CD1 4Å; L313-L415 HydrophobicContact CD1-CD2 4.37Å; L313-L415 HydrophobicContact CD2-CD1 4.22Å; L313-H426 VanDerWaalsContact CG-CE1 3.46Å; L313-H426 WeakPolarHBondContact CG-CE1 3.46Å; L313-H426 PolarHBondContact N-NE2 3.45Å; L313-W427 HydrophobicContact CD1-CE3 4.35Å; L313-I430 HydrophobicContact CB-CD1 3.88Å; L313-I430 HydrophobicContact CB-CG2 3.7Å; L313-I430 HydrophobicContact CD1-CD1 3.97Å; L313-Q437 PolarHBondContact O-NE2 3.31Å; L313-I438 PolarHBondContact N-O 2.85Å; L313-I438 PolarHBondContact O-N 3.39Å |
| 314 | C | 95.9 | Very high | 87.5 | Confident | 13 Ų | 13 | 33.6 Ų | 33.6 | 9% | 0.088 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 125.2 | 167.2 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | T323 R435 Q437 | C314-T323 PolarHBondContact N-O 2.84Å; C314-T323 PolarHBondContact O-N 2.81Å; C314-R435 VanDerWaalsContact SG-C 3.6Å; C314-Q437 HydrophobicContact CB-CB 4.43Å |
| 315 | Y | 94.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 27.8 Ų | 27.8 | 11% | 0.106 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.4 | 171.9 | 172.3 | -130.4 | 0 | 0 | 0 | 110 | N320 L380 L386 P434 R435 | Y315-N320 PolarHBondContact OH-OD1 2.89Å; Y315-N320 VanDerWaalsContact OH-OD1 3.1Å; Y315-L380 HydrophobicContact CD2-CD1 3.9Å; Y315-L380 HydrophobicContact CE2-CD1 3.42Å; Y315-L380 VanDerWaalsContact CE2-CD1 3.42Å; Y315-L386 HydrophobicContact CD1-CD1 3.59Å; Y315-L386 HydrophobicContact CD1-CG 4.08Å; Y315-L386 HydrophobicContact CD2-CD1 3.98Å; Y315-L386 HydrophobicContact CD2-CD2 4.18Å; Y315-L386 HydrophobicContact CD2-CG 3.97Å; Y315-L386 HydrophobicContact CE1-CD1 4.17Å; Y315-L386 HydrophobicContact CE1-CG 4.19Å; Y315-L386 HydrophobicContact CE2-CD2 4.48Å; Y315-L386 HydrophobicContact CE2-CG 4.13Å; Y315-L386 HydrophobicContact CG-CD1 3.48Å; Y315-L386 VanDerWaalsContact CG-CD1 3.48Å; Y315-L386 HydrophobicContact CG-CG 3.97Å; Y315-P434 CarbonylContact O-C 3.31Å; Y315-P434 WeakPolarHBondContact O-CA 3.13Å; Y315-R435 PolarHBondContact O-N 3.49Å |
| 316 | Q | 92.3 | Very high | 91.8 | Very high | 71 Ų | 71 | 27.2 Ų | 27.2 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 100.3 | 174.8 | -175.8 | 173.4 | 1 | 0 | 0 | 109.3 | T318 T319 N320 T321 R435 | Q316-T318 VanDerWaalsContact C-N 3.31Å; Q316-T318 WeakPolarHBondContact CG-OG1 3.38Å; Q316-T318 PolarHBondContact NE2-OG1 3.19Å; Q316-T318 PolarHBondContact O-N 3.16Å; Q316-T319 VanDerWaalsContact CD-OG1 3.22Å; Q316-T319 WeakPolarHBondContact CG-OG1 3.21Å; Q316-T319 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-OG1 3.02Å; Q316-N320 WeakPolarHBondContact O-CA 3.33Å; Q316-N320 PolarHBondContact O-N 2.91Å; Q316-T321 PolarHBondContact N-O 3.22Å; Q316-T321 PolarHBondContact O-N 2.94Å; Q316-T321 VanDerWaalsContact O-N 3.16Å; Q316-R435 HydrophobicContact CB-CG 4.5Å; Q316-R435 HydrophobicContact CG-CG 4.05Å |
| 317 | S | 87.6 | Confident | 92.9 | Very high | 53 Ų | 53 | 26.2 Ų | 26.2 | 37% | 0.371 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -62.3 | -34.2 | -178.9 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | T319 N320 | S317-T319 PolarHBondContact O-N 3.15Å; S317-N320 PolarHBondContact O-N 3.04Å; S317-N320 PolarHBondContact O-OD1 3.21Å |
| 318 | T | 88.3 | Confident | 93.4 | Very high | 96 Ų | 96 | 30.5 Ų | 30.5 | 59% | 0.589 | 17% | 0.167 | S | C | * | . | G | 310 helix | trans | -63.4 | -25.6 | -179.3 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | Q316 | Q316-T318 VanDerWaalsContact C-N 3.31Å; Q316-T318 WeakPolarHBondContact CG-OG1 3.38Å; Q316-T318 PolarHBondContact NE2-OG1 3.19Å; Q316-T318 PolarHBondContact O-N 3.16Å |
| 319 | T | 88.9 | Confident | 93.5 | Very high | 76 Ų | 76 | 28.8 Ų | 28.8 | 47% | 0.466 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -115.5 | -1.2 | -179.9 | 45.3 | 0 | 0 | 0 | 0 | 111.9 | Q316 S317 T321 | Q316-T319 VanDerWaalsContact CD-OG1 3.22Å; Q316-T319 WeakPolarHBondContact CG-OG1 3.21Å; Q316-T319 PolarHBondContact O-N 3.41Å; Q316-T319 PolarHBondContact O-OG1 3.02Å; S317-T319 PolarHBondContact O-N 3.15Å; T319-T321 PolarHBondContact O-N 2.78Å; T319-T321 PolarHBondContact OG1-OG1 3.29Å |
| 320 | N | 89.3 | Confident | 93.2 | Very high | 36 Ų | 36 | 32.4 Ų | 32.4 | 19% | 0.193 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 42.8 | -169.1 | -84.6 | -34.1 | 0 | 0 | 0 | 113.3 | Y315 Q316 S317 L380 | Y315-N320 PolarHBondContact OH-OD1 2.89Å; Y315-N320 VanDerWaalsContact OH-OD1 3.1Å; Q316-N320 WeakPolarHBondContact O-CA 3.33Å; Q316-N320 PolarHBondContact O-N 2.91Å; S317-N320 PolarHBondContact O-N 3.04Å; S317-N320 PolarHBondContact O-OD1 3.21Å; N320-L380 HydrophobicContact CB-CB 4.23Å; N320-L380 VanDerWaalsContact O-CB 3.27Å; N320-L380 WeakPolarHBondContact O-CB 3.41Å; N320-L380 WeakPolarHBondContact O-CD1 3.33Å; N320-L380 WeakPolarHBondContact O-CG 3.02Å; N320-L380 PolarHBondContact O-N 2.81Å |
| 321 | T | 91.7 | Very high | 92.4 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 12% | 0.117 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 134 | 178 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | Q316 T319 V377 F378 D379 | Q316-T321 PolarHBondContact N-O 3.22Å; Q316-T321 PolarHBondContact O-N 2.94Å; Q316-T321 VanDerWaalsContact O-N 3.16Å; T319-T321 PolarHBondContact O-N 2.78Å; T319-T321 PolarHBondContact OG1-OG1 3.29Å; T321-V377 HydrophobicContact CG2-CG1 4.2Å; T321-F378 CarbonylContact C-O 3.53Å; T321-F378 WeakPolarHBondContact CA-O 3.09Å; T321-D379 WeakPolarHBondContact CG2-OD1 3.42Å |
| 322 | L | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 119.8 | 168.9 | 179.2 | 65 | 0 | 0 | 0 | 109.3 | V324 F378 L386 V391 W427 I430 | L322-V324 HydrophobicContact CD2-CG2 4.26Å; L322-V324 HydrophobicContact CG-CG2 4.11Å; L322-F378 PolarHBondContact N-O 3.11Å; L322-F378 PolarHBondContact O-N 2.71Å; L322-L386 HydrophobicContact CB-CD2 4.49Å; L322-L386 HydrophobicContact CD1-CD2 4.41Å; L322-L386 HydrophobicContact CD2-CD2 4.2Å; L322-V391 HydrophobicContact CD2-CG2 3.72Å; L322-W427 HydrophobicContact CD2-CH2 3.55Å; L322-W427 HydrophobicContact CD2-CZ3 3.87Å; L322-I430 HydrophobicContact CD1-CD1 3.86Å |
| 323 | T | 95.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.7 | 174 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | L313 C314 V325 L375 | L313-T323 WeakPolarHBondContact CA-O 3.26Å; C314-T323 PolarHBondContact N-O 2.84Å; C314-T323 PolarHBondContact O-N 2.81Å; T323-V325 HydrophobicContact CG2-CG2 4.16Å; T323-L375 HydrophobicContact CG2-CD1 3.79Å; T323-L375 HydrophobicContact CG2-CD2 4.32Å; T323-L375 HydrophobicContact CG2-CG 3.85Å |
| 324 | V | 97.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 114.3 | 176.9 | -176 | 0 | 0 | 0 | 0 | 108.8 | L313 L322 V347 F376 F378 V391 | L313-V324 HydrophobicContact CD2-CB 4.2Å; L313-V324 HydrophobicContact CD2-CG1 3.94Å; L313-V324 HydrophobicContact CD2-CG2 3.86Å; L322-V324 HydrophobicContact CD2-CG2 4.26Å; L322-V324 HydrophobicContact CG-CG2 4.11Å; V324-V347 HydrophobicContact CG1-CG1 4.49Å; V324-F376 PolarHBondContact N-O 2.94Å; V324-F376 PolarHBondContact O-N 3.26Å; V324-F378 HydrophobicContact CB-CE2 4.09Å; V324-F378 HydrophobicContact CG2-CD2 4.01Å; V324-F378 HydrophobicContact CG2-CE2 3.82Å; V324-V391 HydrophobicContact CG2-CG1 4.47Å; V324-V391 HydrophobicContact CG2-CG2 4.49Å |
| 325 | V | 97.4 | Very high | 86.3 | Confident | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 116.2 | 175.3 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | L311 S312 T323 L327 E374 L375 | L311-V325 WeakPolarHBondContact CA-O 3.41Å; S312-V325 PolarHBondContact N-O 2.89Å; S312-V325 PolarHBondContact O-N 2.89Å; T323-V325 HydrophobicContact CG2-CG2 4.16Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 4.06Å; V325-L327 PolarHBondContact O-N 2.85Å; V325-E374 CarbonylContact C-O 3.58Å; V325-E374 WeakPolarHBondContact CA-O 3.44Å; V325-L375 HydrophobicContact CG2-CB 4.25Å; V325-L375 HydrophobicContact CG2-CD1 3.93Å; V325-L375 HydrophobicContact CG2-CG 4.09Å |
| 326 | V | 97.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105 | 171.6 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | L309 L311 V345 V347 T361 F372 N373 E374 F376 L393 | L309-V326 HydrophobicContact CD1-CG1 4.04Å; L311-V326 HydrophobicContact CD2-CB 4.28Å; L311-V326 HydrophobicContact CD2-CG1 4.21Å; L311-V326 HydrophobicContact CD2-CG2 4.03Å; V326-V345 HydrophobicContact CG1-CB 4.25Å; V326-V345 HydrophobicContact CG1-CG2 4.05Å; V326-V347 HydrophobicContact CG2-CG2 3.92Å; V326-T361 HydrophobicContact CB-CG2 4.08Å; V326-T361 HydrophobicContact CG1-CG2 4.09Å; V326-T361 HydrophobicContact CG2-CG2 4.3Å; V326-F372 HydrophobicContact CB-CB 4.45Å; V326-F372 HydrophobicContact CG1-CB 4.1Å; V326-F372 HydrophobicContact CG1-CD2 3.73Å; V326-F372 HydrophobicContact CG1-CE2 4.49Å; V326-F372 HydrophobicContact CG1-CG 4.09Å; V326-F372 WeakPolarHBondContact O-CB 3.46Å; V326-N373 WeakPolarHBondContact O-CA 3.4Å; V326-N373 PolarHBondContact O-N 2.93Å; V326-E374 PolarHBondContact N-O 3.42Å; V326-E374 PolarHBondContact O-N 3.09Å; V326-F376 HydrophobicContact CB-CE2 4.48Å; V326-F376 HydrophobicContact CG2-CD2 4.09Å; V326-F376 HydrophobicContact CG2-CE2 3.78Å; V326-L393 HydrophobicContact CG2-CD2 4.12Å |
| 327 | L | 93.7 | Very high | 81.9 | Confident | 41 Ų | 41 | 57.5 Ų | 57.5 | 22% | 0.215 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -68.4 | -172.9 | -68.5 | 167.1 | 0 | 0 | 0 | 111 | L310 V325 F372 N373 A439 | L310-L327 HydrophobicContact CB-CB 4.35Å; L310-L327 HydrophobicContact CD2-CB 4.16Å; L310-L327 HydrophobicContact CD2-CD1 4.04Å; L310-L327 HydrophobicContact CG-CB 4.07Å; L310-L327 HydrophobicContact CG-CD1 3.89Å; L310-L327 WeakPolarHBondContact O-CB 3.13Å; L310-L327 PolarHBondContact O-N 3.09Å; L310-L327 VanDerWaalsContact O-N 3.1Å; V325-L327 HydrophobicContact CG1-CD2 3.7Å; V325-L327 HydrophobicContact CG1-CG 4.06Å; V325-L327 PolarHBondContact O-N 2.85Å; L327-F372 PolarHBondContact O-N 2.77Å; L327-N373 PolarHBondContact O-N 2.49Å; L327-N373 PolarHBondContact O-OD1 3.44Å; L327-A439 HydrophobicContact CD1-CB 4.42Å |
| 328 | K | 91.8 | Very high | 80.1 | Confident | 91 Ų | 91 | 58.4 Ų | 58.4 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 157.1 | -177.7 | 58.5 | -177.9 | 176.4 | -175.4 | 0 | 112.1 | L310 P370 V371 W441 | L310-K328 HydrophobicContact CB-CG 4.05Å; L310-K328 WeakPolarHBondContact CB-O 3.48Å; L310-K328 HydrophobicContact CD2-CD 4.44Å; L310-K328 HydrophobicContact CD2-CG 4.02Å; L310-K328 PolarHBondContact N-O 2.86Å; K328-P370 CarbonylContact C-O 3.59Å; K328-P370 WeakPolarHBondContact CA-O 3.27Å; K328-P370 WeakPolarHBondContact CB-O 3.06Å; K328-V371 HydrophobicContact CB-CB 4.42Å; K328-V371 HydrophobicContact CB-CG2 4.06Å; K328-W441 HydrophobicContact CD-CH2 4.33Å; K328-W441 HydrophobicContact CG-CH2 3.94Å; K328-W441 HydrophobicContact CG-CZ2 4.46Å |
| 329 | A | 90.6 | Very high | 78.5 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 157.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E308 L309 L332 N369 P370 F372 | E308-A329 CarbonylContact O-C 3.49Å; E308-A329 WeakPolarHBondContact O-CA 3.48Å; E308-A329 WeakPolarHBondContact O-CB 3.39Å; L309-A329 HydrophobicContact CD1-CB 3.8Å; A329-L332 HydrophobicContact CB-CD2 3.82Å; A329-L332 HydrophobicContact CB-CG 4.47Å; A329-N369 CarbonylContact O-C 3.48Å; A329-N369 VanDerWaalsContact O-CA 3.26Å; A329-N369 WeakPolarHBondContact O-CA 3.03Å; A329-P370 HydrophobicContact CB-CG 3.92Å; A329-P370 PolarHBondContact N-O 2.92Å; A329-F372 HydrophobicContact CB-CE2 4.34Å |
| 330 | R | 85.7 | Confident | 77 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 168.5 | 175 | 70.5 | -179.9 | -175.6 | -165.7 | -2.1 | 110.9 | G307 E308 L332 N369 W441 | G307-R330 WeakPolarHBondContact CA-O 3.47Å; E308-R330 HydrophobicContact CB-CG 4.14Å; E308-R330 VanDerWaalsContact CD-NH2 3.34Å; E308-R330 PolarHBondContact N-O 3.33Å; E308-R330 PolarHBondContact O-N 3.33Å; E308-R330 IonicContact OE1-CZ 3.97Å; E308-R330 IonicContact OE1-NH2 3.01Å; E308-R330 PolarHBondContact OE1-NH2 2.9Å; E308-R330 IonicContact OE2-CZ 3.25Å; E308-R330 VanDerWaalsContact OE2-CZ 3.25Å; E308-R330 IonicContact OE2-NE 2.7Å; E308-R330 PolarHBondContact OE2-NE 2.87Å; E308-R330 IonicContact OE2-NH2 2.97Å; E308-R330 PolarHBondContact OE2-NH2 2.99Å; R330-L332 PolarHBondContact O-N 3.04Å; R330-N369 WeakPolarHBondContact CA-OD1 3.4Å; R330-N369 WeakPolarHBondContact CB-OD1 3.37Å; R330-W441 HydrophobicContact CB-CH2 4.18Å; R330-W441 HydrophobicContact CB-CZ3 4.31Å; R330-W441 HydrophobicContact CG-CE3 4.33Å; R330-W441 HydrophobicContact CG-CH2 3.7Å; R330-W441 HydrophobicContact CG-CZ3 3.59Å |
| 331 | H | 77.8 | Confident | 76 | Confident | 105 Ų | 105 | 56.9 Ų | 56.9 | 49% | 0.486 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 56 | 30.8 | 177.8 | -52.5 | 141.9 | 0 | 0 | 0 | 113.7 | G307 E308 | G307-H331 WeakPolarHBondContact CA-O 3.1Å; E308-H331 IonicContact OE2-CE1 3.19Å; E308-H331 PolarHBondContact OE2-CE1 3.44Å; E308-H331 IonicContact OE2-CG 2.66Å; E308-H331 IonicContact OE2-ND1 3.36Å; E308-H331 PolarHBondContact OE2-ND1 2.98Å |
| 332 | L | 77.4 | Confident | 75.5 | Confident | 13 Ų | 13 | 57.2 Ų | 57.2 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | trans | -62.1 | 142.2 | -180 | -58 | -165.6 | 0 | 0 | 0 | 110.6 | A329 R330 K334 P343 P370 L395 | A329-L332 HydrophobicContact CB-CD2 3.82Å; A329-L332 HydrophobicContact CB-CG 4.47Å; R330-L332 PolarHBondContact O-N 3.04Å; L332-K334 PolarHBondContact O-N 2.69Å; L332-P343 HydrophobicContact CD1-CB 3.97Å; L332-P343 HydrophobicContact CD1-CG 4.05Å; L332-P370 HydrophobicContact CD1-CG 3.92Å; L332-L395 HydrophobicContact CD1-CD2 4.09Å; L332-L395 HydrophobicContact CD2-CD2 3.34Å; L332-L395 HydrophobicContact CG-CD2 4.31Å | ||
| 333 | P | 70.1 | Confident | 75.2 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | trans | -53.6 | 123 | 173.2 | -24.9 | 34.3 | 0 | 0 | 0 | 110.2 | R306 T335 I410 | R306-P333 HydrophobicContact CB-CG 4.39Å; R306-P333 HydrophobicContact CG-CG 4.49Å; P333-T335 PolarHBondContact O-N 3.02Å; P333-I410 HydrophobicContact CG-CG2 3.92Å | ||
| 334 | K | 58.8 | Low | 75 | Confident | 164 Ų | 164 | 56.6 Ų | 56.6 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | trans | -81.9 | 101.3 | 166.3 | -67.1 | -173.8 | 177.9 | -171.7 | 0 | 107 | L332 E336 | L332-K334 PolarHBondContact O-N 2.69Å; K334-E336 WeakPolarHBondContact O-CG 3.41Å; K334-E336 PolarHBondContact O-N 2.91Å | ||
| 335 | T | 54.1 | Low | 74.9 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | trans | -64.3 | 100.1 | 168.6 | -55.6 | 0 | 0 | 0 | 0 | 107.5 | P333 N337 N338 | P333-T335 PolarHBondContact O-N 3.02Å; T335-N337 PolarHBondContact O-N 2.83Å; T335-N338 HydrophobicContact CG2-CB 3.89Å; T335-N338 PolarHBondContact O-N 3Å | ||
| 336 | E | 47.3 | Very low | 74.8 | Confident | 137 Ų | 137 | 57.2 Ų | 57.2 | 64% | 0.64 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.9 | -168.9 | -59.2 | -165.7 | 158.7 | 0 | 0 | 114.6 | R268 K334 | R268-E336 WeakPolarHBondContact CD-OE2 3.24Å; R268-E336 IonicContact CZ-OE2 3.6Å; R268-E336 IonicContact NE-OE2 2.93Å; R268-E336 IonicContact NH1-OE2 3.97Å; R268-E336 PolarHBondContact NH1-OE2 2.92Å; K334-E336 WeakPolarHBondContact O-CG 3.41Å; K334-E336 PolarHBondContact O-N 2.91Å |
| 337 | N | 45.2 | Very low | 74.7 | Confident | 138 Ų | 138 | 57.2 Ų | 57.2 | 74% | 0.738 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -7.6 | 176 | -71.8 | 19.2 | 0 | 0 | 0 | 114.8 | T335 | T335-N337 PolarHBondContact O-N 2.83Š|
| 338 | N | 50.8 | Low | 74.8 | Confident | 72 Ų | 72 | 55.5 Ų | 55.5 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -95.6 | 155 | 172 | -93.5 | 31.5 | 0 | 0 | 0 | 109.8 | T335 | T335-N338 HydrophobicContact CG2-CB 3.89Å; T335-N338 PolarHBondContact O-N 3Å |
| 339 | G | 54.4 | Low | 74.8 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 61% | 0.608 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -69.3 | -152.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T341 | G339-T341 PolarHBondContact O-N 2.82Å; G339-T341 VanDerWaalsContact O-N 3.09Å |
| 340 | P | 57.5 | Low | 74.8 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58 | 119.5 | 174.1 | -17.1 | 29.4 | 0 | 0 | 0 | 110.2 | C366 | P340-C366 HydrophobicContact CB-CB 3.54Å; P340-C366 WeakPolarHBondContact CB-SG 3.17Å; P340-C366 HydrophobicContact CG-CB 4.48Å |
| 341 | T | 68.1 | Low | 75 | Confident | 21 Ų | 21 | 52 Ų | 52 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | trans | -68.5 | 137.3 | 175 | 56 | 0 | 0 | 0 | 0 | 109.6 | G339 P343 C366 S367 D397 | G339-T341 PolarHBondContact O-N 2.82Å; G339-T341 VanDerWaalsContact O-N 3.09Å; T341-P343 WeakPolarHBondContact O-CD 3.46Å; T341-C366 CarbonylContact O-C 3.43Å; T341-C366 VanDerWaalsContact O-CA 3.3Å; T341-C366 WeakPolarHBondContact O-CA 2.96Å; T341-C366 PolarHBondContact O-N 3.42Å; T341-C366 VanDerWaalsContact O-N 3.09Å; T341-S367 PolarHBondContact O-N 2.92Å; T341-S367 VanDerWaalsContact O-N 3.13Å; T341-D397 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 342 | D | 81.9 | Confident | 75.3 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | trans | -112.3 | 69.1 | 179.2 | -83.9 | 15.1 | 0 | 0 | 0 | 108.9 | V363 K365 C366 D397 S398 | D342-V363 HydrophobicContact CB-CG1 3.72Å; D342-V363 WeakPolarHBondContact O-CG1 3.23Å; D342-K365 WeakPolarHBondContact OD1-CA 3.44Å; D342-K365 WeakPolarHBondContact OD2-CG 3.42Å; D342-C366 PolarHBondContact OD1-N 2.94Å; D342-D397 PolarHBondContact N-OD1 3.25Å; D342-S398 VanDerWaalsContact O-CB 3.23Å; D342-S398 WeakPolarHBondContact O-CB 3.44Å; D342-S398 PolarHBondContact O-N 3.17Å | ||
| 343 | P | 87.7 | Confident | 75.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 145.2 | -172.9 | 26 | -37.4 | 0 | 0 | 0 | 114.1 | L332 T341 K364 S367 P370 L395 M396 I410 | L332-P343 HydrophobicContact CD1-CB 3.97Å; L332-P343 HydrophobicContact CD1-CG 4.05Å; T341-P343 WeakPolarHBondContact O-CD 3.46Å; P343-K364 VanDerWaalsContact CD-O 3.24Å; P343-K364 WeakPolarHBondContact CD-O 3.48Å; P343-K364 PolarHBondContact O-N 3.48Å; P343-S367 WeakPolarHBondContact CG-O 3.44Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P343-P370 HydrophobicContact CG-CB 3.83Å; P343-P370 HydrophobicContact CG-CG 3.66Å; P343-L395 HydrophobicContact CB-CD1 4.14Å; P343-M396 WeakPolarHBondContact CA-O 3.29Å; P343-I410 HydrophobicContact CB-CD1 4.46Å |
| 344 | Y | 91.6 | Very high | 76.5 | Confident | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 158.5 | 167.7 | 73 | -74.6 | 0 | 0 | 0 | 111 | K346 K360 V363 M396 N407 | Y344-K346 HydrophobicContact CD2-CG 4.34Å; Y344-K346 HydrophobicContact CE2-CD 4.24Å; Y344-K346 HydrophobicContact CE2-CG 3.79Å; Y344-K346 WeakPolarHBondContact OH-CE 3.45Å; Y344-K346 PolarHBondContact OH-NZ 3Å; Y344-K360 HydrophobicContact CD2-CB 4.38Å; Y344-K360 HydrophobicContact CD2-CD 4.5Å; Y344-K360 HydrophobicContact CE2-CD 4.34Å; Y344-V363 HydrophobicContact CD1-CG2 4.16Å; Y344-V363 HydrophobicContact CG-CG2 4.12Å; Y344-M396 HydrophobicContact CD1-CB 4.22Å; Y344-M396 WeakPolarHBondContact CD1-O 3.48Å; Y344-M396 HydrophobicContact CE1-CB 3.75Å; Y344-M396 PolarHBondContact N-O 3.29Å; Y344-M396 PolarHBondContact O-N 3.46Å; Y344-N407 PolarHBondContact OH-OD1 2.85Å |
| 345 | V | 93.8 | Very high | 78 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.5 | -180 | -178 | 0 | 0 | 0 | 0 | 109.7 | L309 V326 V347 K360 T361 F372 L393 L394 L395 | L309-V345 HydrophobicContact CD1-CG2 4.17Å; L309-V345 HydrophobicContact CD2-CG1 4.35Å; L309-V345 HydrophobicContact CD2-CG2 4.38Å; V326-V345 HydrophobicContact CG1-CB 4.25Å; V326-V345 HydrophobicContact CG1-CG2 4.05Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V345-K360 CarbonylContact O-C 3.43Å; V345-K360 VanDerWaalsContact O-CA 3.26Å; V345-K360 WeakPolarHBondContact O-CA 3.49Å; V345-T361 HydrophobicContact CB-CG2 3.95Å; V345-T361 PolarHBondContact N-OG1 3.18Å; V345-T361 PolarHBondContact O-N 3.32Å; V345-F372 HydrophobicContact CG2-CD2 4.4Å; V345-F372 HydrophobicContact CG2-CE2 3.84Å; V345-F372 HydrophobicContact CG2-CZ 3.98Å; V345-L393 HydrophobicContact CG1-CB 4.04Å; V345-L393 HydrophobicContact CG1-CD2 4.02Å; V345-L394 CarbonylContact C-O 3.44Å; V345-L394 WeakPolarHBondContact CA-O 3.49Å; V345-L395 HydrophobicContact CG2-CD1 3.7Å |
| 346 | K | 94.7 | Very high | 79.7 | Confident | 33 Ų | 33 | 61 Ų | 61 | 14% | 0.143 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131.2 | 163.7 | -62.3 | 179.8 | -173.2 | 156.7 | 0 | 108.4 | Y344 K359 K360 L393 L394 M396 | Y344-K346 HydrophobicContact CD2-CG 4.34Å; Y344-K346 HydrophobicContact CE2-CD 4.24Å; Y344-K346 HydrophobicContact CE2-CG 3.79Å; Y344-K346 WeakPolarHBondContact OH-CE 3.45Å; Y344-K346 PolarHBondContact OH-NZ 3Å; K346-K359 WeakPolarHBondContact CA-O 3.12Å; K346-K360 HydrophobicContact CG-CB 4.21Å; K346-L393 WeakPolarHBondContact O-CA 3.24Å; K346-L394 HydrophobicContact CB-CB 4.33Å; K346-L394 PolarHBondContact N-O 3.42Å; K346-L394 PolarHBondContact O-N 2.93Å; K346-M396 HydrophobicContact CD-SD 3.47Å; K346-M396 WeakPolarHBondContact CD-SD 3.44Å; K346-M396 WeakPolarHBondContact CE-SD 3.45Å; K346-M396 HydrophobicContact CG-SD 4.11Å; K346-M396 PolarHBondContact NZ-SD 3.46Å |
| 347 | V | 96.1 | Very high | 81.8 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.8 | 176.8 | -173.1 | 0 | 0 | 0 | 0 | 107.5 | V324 V326 V345 K358 K359 F376 F378 V391 L393 | V324-V347 HydrophobicContact CG1-CG1 4.49Å; V326-V347 HydrophobicContact CG2-CG2 3.92Å; V345-V347 HydrophobicContact CG1-CG2 4.16Å; V347-K358 WeakPolarHBondContact O-CA 3.34Å; V347-K359 PolarHBondContact N-O 3.35Å; V347-K359 PolarHBondContact O-N 3.04Å; V347-F376 HydrophobicContact CB-CD2 4.41Å; V347-F376 HydrophobicContact CG2-CD2 3.84Å; V347-F376 HydrophobicContact CG2-CE2 3.77Å; V347-F378 HydrophobicContact CB-CZ 4.4Å; V347-F378 HydrophobicContact CG1-CE2 4.06Å; V347-F378 HydrophobicContact CG1-CZ 3.75Å; V347-V391 HydrophobicContact CG1-CG1 3.68Å; V347-L393 HydrophobicContact CG1-CG 4.46Å; V347-L393 HydrophobicContact CG2-CD2 4.03Å; V347-L393 HydrophobicContact CG2-CG 4.4Å |
| 348 | N | 94.6 | Very high | 84.1 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.3 | 176.7 | -62.2 | -41.2 | 0 | 0 | 0 | 108.6 | Y350 R355 C357 K358 V391 E392 | N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE2 3.55Å; N348-R355 HydrophobicContact CB-CG 4.4Å; N348-C357 WeakPolarHBondContact CA-O 3.43Å; N348-K358 WeakPolarHBondContact OD1-CD 3.47Å; N348-K358 VanDerWaalsContact OD1-CG 3.24Å; N348-K358 WeakPolarHBondContact OD1-CG 3.22Å; N348-V391 WeakPolarHBondContact O-CA 3.42Å; N348-E392 HydrophobicContact CB-CB 4.26Å; N348-E392 PolarHBondContact N-O 3.04Å; N348-E392 PolarHBondContact ND2-OE2 3.03Å; N348-E392 PolarHBondContact O-N 3.21Å |
| 349 | M | 92.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.8 | 174.4 | -172.2 | -168.8 | -172.6 | 0 | 0 | 109.5 | R355 I356 C357 F378 L380 T389 V391 | M349-R355 CarbonylContact O-C 3.58Å; M349-R355 WeakPolarHBondContact O-CA 3.3Å; M349-R355 WeakPolarHBondContact O-CG 3.16Å; M349-I356 HydrophobicContact CB-CG1 4.24Å; M349-I356 HydrophobicContact CE-CD1 3.98Å; M349-I356 HydrophobicContact CG-CD1 4.07Å; M349-I356 HydrophobicContact CG-CG1 4.02Å; M349-I356 WeakPolarHBondContact O-CG1 3.49Å; M349-I356 PolarHBondContact O-N 2.75Å; M349-I356 HydrophobicContact SD-CD1 3.66Å; M349-I356 HydrophobicContact SD-CG1 4.05Å; M349-C357 HydrophobicContact CB-CB 4.01Å; M349-C357 PolarHBondContact N-O 2.95Å; M349-C357 PolarHBondContact O-N 3.3Å; M349-F378 HydrophobicContact CB-CD1 4.15Å; M349-F378 HydrophobicContact CB-CE1 4.2Å; M349-F378 HydrophobicContact CE-CB 3.92Å; M349-F378 HydrophobicContact SD-CB 3.44Å; M349-F378 WeakPolarHBondContact SD-CB 3.28Å; M349-F378 HydrophobicContact SD-CD1 3.69Å; M349-F378 HydrophobicContact SD-CG 3.69Å; M349-L380 HydrophobicContact CE-CD2 3.32Å; M349-L380 HydrophobicContact CE-CG 4.21Å; M349-T389 HydrophobicContact CE-CG2 3.69Å; M349-T389 HydrophobicContact CG-CG2 4.47Å; M349-V391 HydrophobicContact CG-CG2 4.49Å |
| 350 | Y | 91.2 | Very high | 88.1 | Confident | 48 Ų | 48 | 59.3 Ų | 59.3 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 143.7 | -178.5 | -71.2 | -102.7 | 0 | 0 | 0 | 110.3 | N348 K354 R355 T389 S390 E392 | N348-Y350 HydrophobicContact CB-CD2 4.22Å; N348-Y350 HydrophobicContact CB-CE2 3.55Å; Y350-K354 WeakPolarHBondContact CA-O 3.24Å; Y350-R355 HydrophobicContact CD1-CB 3.86Å; Y350-R355 HydrophobicContact CD1-CG 4.47Å; Y350-R355 HydrophobicContact CD2-CG 4.4Å; Y350-R355 HydrophobicContact CE1-CB 3.57Å; Y350-R355 HydrophobicContact CE1-CG 4.17Å; Y350-R355 HydrophobicContact CE2-CB 4.38Å; Y350-R355 HydrophobicContact CE2-CG 4.07Å; Y350-R355 HydrophobicContact CG-CB 4.39Å; Y350-T389 WeakPolarHBondContact O-CA 3.24Å; Y350-S390 WeakPolarHBondContact CB-OG 3.35Å; Y350-S390 PolarHBondContact N-O 3.09Å; Y350-S390 PolarHBondContact O-N 3.42Å; Y350-E392 HydrophobicContact CD2-CB 4.35Å; Y350-E392 HydrophobicContact CE2-CB 4.04Å |
| 351 | Q | 88.2 | Confident | 89.8 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 22% | 0.22 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.3 | 166.2 | -167.1 | 177.7 | 32.3 | 0 | 0 | 106.6 | K353 K354 I356 S382 D388 | Q351-K353 PolarHBondContact O-N 3.05Å; Q351-K354 PolarHBondContact N-O 3.26Å; Q351-K354 PolarHBondContact O-N 2.94Å; Q351-I356 HydrophobicContact CB-CD1 4.15Å; Q351-I356 HydrophobicContact CB-CG2 4.06Å; Q351-S382 VanDerWaalsContact NE2-CB 3.34Å; Q351-S382 PolarHBondContact NE2-OG 2.58Å; Q351-D388 CarbonylContact C-O 3.55Å; Q351-D388 WeakPolarHBondContact CA-O 3.02Å |
| 352 | G | 85.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 60.2 Ų | 60.2 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | -120.7 | -164.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | D388 | G352-D388 VanDerWaalsContact CA-CG 3.47Å; G352-D388 WeakPolarHBondContact CA-OD1 3.2Å; G352-D388 WeakPolarHBondContact CA-OD2 3.28Å; G352-D388 VanDerWaalsContact N-CG 3.31Å; G352-D388 PolarHBondContact N-O 3.49Å; G352-D388 PolarHBondContact N-OD1 2.88Å; G352-D388 PolarHBondContact N-OD2 3.27Å |
| 353 | K | 84 | Confident | 91.2 | Very high | 215 Ų | 215 | 61.5 Ų | 61.5 | 94% | 0.935 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -2.4 | 178.4 | -63 | -179.2 | 179.8 | 177.1 | 0 | 114.1 | Q351 | Q351-K353 PolarHBondContact O-N 3.05Š|
| 354 | K | 88.4 | Confident | 91.1 | Very high | 155 Ų | 155 | 64.3 Ų | 64.3 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.1 | -174.8 | -174.3 | 179.8 | 179 | -175.5 | 0 | 110.9 | Y350 Q351 I356 | Y350-K354 WeakPolarHBondContact CA-O 3.24Å; Q351-K354 PolarHBondContact N-O 3.26Å; Q351-K354 PolarHBondContact O-N 2.94Å; K354-I356 PolarHBondContact O-N 3.14Å |
| 355 | R | 91 | Very high | 90.4 | Very high | 125 Ų | 125 | 71.3 Ų | 71.3 | 47% | 0.472 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 119 | 169.2 | -168 | 174.6 | 60.4 | -144.6 | -6.7 | 109.4 | N348 M349 Y350 | N348-R355 HydrophobicContact CB-CG 4.4Å; M349-R355 CarbonylContact O-C 3.58Å; M349-R355 WeakPolarHBondContact O-CA 3.3Å; M349-R355 WeakPolarHBondContact O-CG 3.16Å; Y350-R355 HydrophobicContact CD1-CB 3.86Å; Y350-R355 HydrophobicContact CD1-CG 4.47Å; Y350-R355 HydrophobicContact CD2-CG 4.4Å; Y350-R355 HydrophobicContact CE1-CB 3.57Å; Y350-R355 HydrophobicContact CE1-CG 4.17Å; Y350-R355 HydrophobicContact CE2-CB 4.38Å; Y350-R355 HydrophobicContact CE2-CG 4.07Å; Y350-R355 HydrophobicContact CG-CB 4.39Å |
| 356 | I | 89.3 | Confident | 89.1 | Confident | 63 Ų | 63 | 75 Ų | 75 | 32% | 0.323 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | -31.3 | -178.5 | 56.1 | 167 | 0 | 0 | 0 | 112.9 | M349 Q351 K354 P381 | M349-I356 HydrophobicContact CB-CG1 4.24Å; M349-I356 HydrophobicContact CE-CD1 3.98Å; M349-I356 HydrophobicContact CG-CD1 4.07Å; M349-I356 HydrophobicContact CG-CG1 4.02Å; M349-I356 WeakPolarHBondContact O-CG1 3.49Å; M349-I356 PolarHBondContact O-N 2.75Å; M349-I356 HydrophobicContact SD-CD1 3.66Å; M349-I356 HydrophobicContact SD-CG1 4.05Å; Q351-I356 HydrophobicContact CB-CD1 4.15Å; Q351-I356 HydrophobicContact CB-CG2 4.06Å; K354-I356 PolarHBondContact O-N 3.14Å; I356-P381 HydrophobicContact CD1-CG 3.86Å |
| 357 | C | 90.4 | Very high | 87.8 | Confident | 38 Ų | 38 | 74.8 Ų | 74.8 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 154.8 | 177.8 | -159.7 | 0 | 0 | 0 | 0 | 111.9 | N348 M349 F378 | N348-C357 WeakPolarHBondContact CA-O 3.43Å; M349-C357 HydrophobicContact CB-CB 4.01Å; M349-C357 PolarHBondContact N-O 2.95Å; M349-C357 PolarHBondContact O-N 3.3Å; C357-F378 HydrophobicContact CB-CD1 3.84Å; C357-F378 HydrophobicContact CB-CE1 3.87Å |
| 358 | K | 93.9 | Very high | 86.4 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 51% | 0.509 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 116.1 | 173.9 | 173 | 169.3 | -178.9 | -175.9 | 0 | 109.5 | V347 N348 | V347-K358 WeakPolarHBondContact O-CA 3.34Å; N348-K358 WeakPolarHBondContact OD1-CD 3.47Å; N348-K358 VanDerWaalsContact OD1-CG 3.24Å; N348-K358 WeakPolarHBondContact OD1-CG 3.22Å |
| 359 | K | 94.3 | Very high | 85.7 | Confident | 77 Ų | 77 | 81.7 Ų | 81.7 | 34% | 0.335 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 167.4 | 174.1 | -60.2 | -174.2 | -177.3 | -179.3 | 0 | 109.1 | K346 V347 F376 V377 F378 | K346-K359 WeakPolarHBondContact CA-O 3.12Å; V347-K359 PolarHBondContact N-O 3.35Å; V347-K359 PolarHBondContact O-N 3.04Å; K359-F376 HydrophobicContact CB-CD1 3.68Å; K359-F376 HydrophobicContact CB-CE1 3.83Å; K359-F376 HydrophobicContact CB-CG 4.3Å; K359-F376 HydrophobicContact CD-CB 4.13Å; K359-F376 HydrophobicContact CD-CD1 3.65Å; K359-F376 HydrophobicContact CD-CG 4.23Å; K359-F376 HydrophobicContact CG-CD1 4.25Å; K359-V377 PolarHBondContact NZ-O 3.39Å; K359-F378 HydrophobicContact CD-CE1 3.83Å; K359-F378 HydrophobicContact CD-CZ 4.06Å; K359-F378 HydrophobicContact CG-CE1 4.07Å; K359-F378 HydrophobicContact CG-CZ 4.37Å |
| 360 | K | 94.3 | Very high | 85.4 | Confident | 137 Ų | 137 | 81.6 Ų | 81.6 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 151 | 174.5 | 65.8 | 171.2 | -175.3 | 171 | 0 | 110.3 | Y344 V345 K346 | Y344-K360 HydrophobicContact CD2-CB 4.38Å; Y344-K360 HydrophobicContact CD2-CD 4.5Å; Y344-K360 HydrophobicContact CE2-CD 4.34Å; V345-K360 CarbonylContact O-C 3.43Å; V345-K360 VanDerWaalsContact O-CA 3.26Å; V345-K360 WeakPolarHBondContact O-CA 3.49Å; K346-K360 HydrophobicContact CG-CB 4.21Å |
| 361 | T | 94.6 | Very high | 85.3 | Confident | 3 Ų | 3 | 82.7 Ų | 82.7 | 2% | 0.018 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -74 | 168.8 | 169.2 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | V326 V345 F372 E374 F376 | V326-T361 HydrophobicContact CB-CG2 4.08Å; V326-T361 HydrophobicContact CG1-CG2 4.09Å; V326-T361 HydrophobicContact CG2-CG2 4.3Å; V345-T361 HydrophobicContact CB-CG2 3.95Å; V345-T361 PolarHBondContact N-OG1 3.18Å; V345-T361 PolarHBondContact O-N 3.32Å; T361-F372 HydrophobicContact CG2-CB 4.2Å; T361-F372 HydrophobicContact CG2-CD1 4.01Å; T361-F372 HydrophobicContact CG2-CG 4.12Å; T361-F372 WeakPolarHBondContact OG1-CD1 3.38Å; T361-F372 WeakPolarHBondContact OG1-CE1 3.47Å; T361-E374 WeakPolarHBondContact CA-OE2 3.12Å; T361-E374 WeakPolarHBondContact CB-OE1 3.2Å; T361-E374 HydrophobicContact CG2-CB 4.28Å; T361-F376 HydrophobicContact CG2-CE2 3.96Å; T361-F376 HydrophobicContact CG2-CZ 3.96Å |
| 362 | H | 91 | Very high | 85.6 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 62% | 0.62 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 153.1 | 161.4 | -65.4 | 71.6 | 0 | 0 | 0 | 110.4 | E374 | H362-E374 WeakPolarHBondContact CB-OE1 3.47Å; H362-E374 IonicContact CE1-OE2 2.71Å; H362-E374 IonicContact CG-OE1 3.83Å; H362-E374 IonicContact CG-OE2 3.94Å; H362-E374 VanDerWaalsContact N-CD 3.32Å; H362-E374 PolarHBondContact N-OE1 3Å; H362-E374 PolarHBondContact N-OE2 2.83Å; H362-E374 VanDerWaalsContact ND1-CD 3.33Å; H362-E374 IonicContact ND1-OE1 2.69Å; H362-E374 IonicContact ND1-OE2 2.81Å; H362-E374 PolarHBondContact ND1-OE2 3.38Å |
| 363 | V | 88.3 | Confident | 86 | Confident | 52 Ų | 52 | 84.5 Ų | 84.5 | 32% | 0.315 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 129 | 175.1 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | D342 Y344 | D342-V363 HydrophobicContact CB-CG1 3.72Å; D342-V363 WeakPolarHBondContact O-CG1 3.23Å; Y344-V363 HydrophobicContact CD1-CG2 4.16Å; Y344-V363 HydrophobicContact CG-CG2 4.12Å |
| 364 | K | 85.1 | Confident | 86.5 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | trans | -106 | 101 | -179.9 | -59 | -67 | 167.1 | 145.2 | 0 | 108.8 | P343 P370 V371 F372 | P343-K364 VanDerWaalsContact CD-O 3.24Å; P343-K364 WeakPolarHBondContact CD-O 3.48Å; P343-K364 PolarHBondContact O-N 3.48Å; K364-P370 HydrophobicContact CB-CB 3.78Å; K364-P370 HydrophobicContact CG-CB 4.05Å; K364-V371 WeakPolarHBondContact CD-O 3.4Å; K364-V371 WeakPolarHBondContact CE-O 3.42Å; K364-V371 PolarHBondContact NZ-O 3.31Å; K364-F372 HydrophobicContact CB-CE1 4.36Å; K364-F372 HydrophobicContact CD-CD1 4.46Å; K364-F372 HydrophobicContact CG-CD1 3.67Å; K364-F372 HydrophobicContact CG-CE1 3.55Å; K364-F372 HydrophobicContact CG-CZ 4.46Å; K364-F372 PolarHBondContact NZ-O 2.79Å | ||
| 365 | K | 76.9 | Confident | 86.9 | Confident | 159 Ų | 159 | 73.1 Ų | 73.1 | 69% | 0.691 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 142.9 | -171.5 | -59.8 | -163.3 | 173.2 | -175.1 | 0 | 113.4 | D342 S367 | D342-K365 WeakPolarHBondContact OD1-CA 3.44Å; D342-K365 WeakPolarHBondContact OD2-CG 3.42Å; K365-S367 WeakPolarHBondContact O-CB 3.15Å; K365-S367 PolarHBondContact O-N 2.96Å |
| 366 | C | 66.6 | Low | 87.1 | Confident | 78 Ų | 78 | 68 Ų | 68 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 25.8 | 167.7 | -50.2 | 0 | 0 | 0 | 0 | 115.5 | P340 T341 D342 | P340-C366 HydrophobicContact CB-CB 3.54Å; P340-C366 WeakPolarHBondContact CB-SG 3.17Å; P340-C366 HydrophobicContact CG-CB 4.48Å; T341-C366 CarbonylContact O-C 3.43Å; T341-C366 VanDerWaalsContact O-CA 3.3Å; T341-C366 WeakPolarHBondContact O-CA 2.96Å; T341-C366 PolarHBondContact O-N 3.42Å; T341-C366 VanDerWaalsContact O-N 3.09Å; D342-C366 PolarHBondContact OD1-N 2.94Å |
| 367 | S | 66.9 | Low | 87.4 | Confident | 28 Ų | 28 | 67.8 Ų | 67.8 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | trans | -118.1 | 106.9 | -160.7 | 172.2 | 0 | 0 | 0 | 0 | 113.6 | T341 P343 K365 N369 P370 | T341-S367 PolarHBondContact O-N 2.92Å; T341-S367 VanDerWaalsContact O-N 3.13Å; P343-S367 WeakPolarHBondContact CG-O 3.44Å; K365-S367 WeakPolarHBondContact O-CB 3.15Å; K365-S367 PolarHBondContact O-N 2.96Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.18Å; S367-P370 WeakPolarHBondContact O-CD 3.19Å; S367-P370 WeakPolarHBondContact OG-CA 3.36Å | ||
| 368 | P | 67 | Low | 87.5 | Confident | 58 Ų | 58 | 66.2 Ų | 66.2 | 38% | 0.377 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -75.4 | -11.2 | 178.1 | 31.1 | -36.2 | 0 | 0 | 0 | 114.4 | ||
| 369 | N | 80.8 | Confident | 87.3 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -134.7 | 67.5 | 174.5 | -59.1 | -75.8 | 0 | 0 | 0 | 109.5 | A329 R330 S367 | A329-N369 CarbonylContact O-C 3.48Å; A329-N369 VanDerWaalsContact O-CA 3.26Å; A329-N369 WeakPolarHBondContact O-CA 3.03Å; R330-N369 WeakPolarHBondContact CA-OD1 3.4Å; R330-N369 WeakPolarHBondContact CB-OD1 3.37Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.18Å |
| 370 | P | 86.3 | Confident | 87 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | trans | -67.5 | 136.3 | -170.5 | 30.7 | -36.8 | 0 | 0 | 0 | 112.1 | K328 A329 L332 P343 K364 S367 F372 | K328-P370 CarbonylContact C-O 3.59Å; K328-P370 WeakPolarHBondContact CA-O 3.27Å; K328-P370 WeakPolarHBondContact CB-O 3.06Å; A329-P370 HydrophobicContact CB-CG 3.92Å; A329-P370 PolarHBondContact N-O 2.92Å; L332-P370 HydrophobicContact CD1-CG 3.92Å; P343-P370 HydrophobicContact CB-CG 4.14Å; P343-P370 HydrophobicContact CG-CB 3.83Å; P343-P370 HydrophobicContact CG-CG 3.66Å; K364-P370 HydrophobicContact CB-CB 3.78Å; K364-P370 HydrophobicContact CG-CB 4.05Å; S367-P370 WeakPolarHBondContact O-CD 3.19Å; S367-P370 WeakPolarHBondContact OG-CA 3.36Å; P370-F372 HydrophobicContact CB-CE1 4.16Å; P370-F372 HydrophobicContact CB-CE2 3.93Å; P370-F372 HydrophobicContact CB-CZ 3.65Å; P370-F372 HydrophobicContact CG-CE2 3.66Å; P370-F372 HydrophobicContact CG-CZ 3.59Å | ||
| 371 | V | 89.6 | Confident | 86.1 | Confident | 71 Ų | 71 | 61 Ų | 61 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.6 | 170.1 | -178.4 | 0 | 0 | 0 | 0 | 108.1 | K328 K364 N373 | K328-V371 HydrophobicContact CB-CB 4.42Å; K328-V371 HydrophobicContact CB-CG2 4.06Å; K364-V371 WeakPolarHBondContact CD-O 3.4Å; K364-V371 WeakPolarHBondContact CE-O 3.42Å; K364-V371 PolarHBondContact NZ-O 3.31Å; V371-N373 WeakPolarHBondContact CG1-ND2 2.91Å |
| 372 | F | 93.4 | Very high | 84.8 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | -60.4 | 178.9 | -58.8 | -73.3 | 0 | 0 | 0 | 109.7 | V326 L327 A329 V345 T361 K364 P370 E374 L395 | V326-F372 HydrophobicContact CB-CB 4.45Å; V326-F372 HydrophobicContact CG1-CB 4.1Å; V326-F372 HydrophobicContact CG1-CD2 3.73Å; V326-F372 HydrophobicContact CG1-CE2 4.49Å; V326-F372 HydrophobicContact CG1-CG 4.09Å; V326-F372 WeakPolarHBondContact O-CB 3.46Å; L327-F372 PolarHBondContact O-N 2.77Å; A329-F372 HydrophobicContact CB-CE2 4.34Å; V345-F372 HydrophobicContact CG2-CD2 4.4Å; V345-F372 HydrophobicContact CG2-CE2 3.84Å; V345-F372 HydrophobicContact CG2-CZ 3.98Å; T361-F372 HydrophobicContact CG2-CB 4.2Å; T361-F372 HydrophobicContact CG2-CD1 4.01Å; T361-F372 HydrophobicContact CG2-CG 4.12Å; T361-F372 WeakPolarHBondContact OG1-CD1 3.38Å; T361-F372 WeakPolarHBondContact OG1-CE1 3.47Å; K364-F372 HydrophobicContact CB-CE1 4.36Å; K364-F372 HydrophobicContact CD-CD1 4.46Å; K364-F372 HydrophobicContact CG-CD1 3.67Å; K364-F372 HydrophobicContact CG-CE1 3.55Å; K364-F372 HydrophobicContact CG-CZ 4.46Å; K364-F372 PolarHBondContact NZ-O 2.79Å; P370-F372 HydrophobicContact CB-CE1 4.16Å; P370-F372 HydrophobicContact CB-CE2 3.93Å; P370-F372 HydrophobicContact CB-CZ 3.65Å; P370-F372 HydrophobicContact CG-CE2 3.66Å; P370-F372 HydrophobicContact CG-CZ 3.59Å; F372-E374 VanDerWaalsContact C-N 3.3Å; F372-L395 HydrophobicContact CZ-CD1 4.43Å |
| 373 | N | 93.4 | Very high | 83.5 | Confident | 106 Ų | 106 | 64.6 Ų | 64.6 | 57% | 0.567 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 44.1 | -171 | -65.6 | -14.8 | 0 | 0 | 0 | 112.7 | V326 L327 V371 | V326-N373 WeakPolarHBondContact O-CA 3.4Å; V326-N373 PolarHBondContact O-N 2.93Å; L327-N373 PolarHBondContact O-N 2.49Å; L327-N373 PolarHBondContact O-OD1 3.44Å; V371-N373 WeakPolarHBondContact CG1-ND2 2.91Å |
| 374 | E | 96.1 | Very high | 82.4 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 12% | 0.121 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.1 | -174.8 | -71.1 | 176.5 | -116.4 | 0 | 0 | 111 | V325 V326 T361 H362 F372 F376 | V325-E374 CarbonylContact C-O 3.58Å; V325-E374 WeakPolarHBondContact CA-O 3.44Å; V326-E374 PolarHBondContact N-O 3.42Å; V326-E374 PolarHBondContact O-N 3.09Å; T361-E374 WeakPolarHBondContact CA-OE2 3.12Å; T361-E374 WeakPolarHBondContact CB-OE1 3.2Å; T361-E374 HydrophobicContact CG2-CB 4.28Å; H362-E374 WeakPolarHBondContact CB-OE1 3.47Å; H362-E374 IonicContact CE1-OE2 2.71Å; H362-E374 IonicContact CG-OE1 3.83Å; H362-E374 IonicContact CG-OE2 3.94Å; H362-E374 VanDerWaalsContact N-CD 3.32Å; H362-E374 PolarHBondContact N-OE1 3Å; H362-E374 PolarHBondContact N-OE2 2.83Å; H362-E374 VanDerWaalsContact ND1-CD 3.33Å; H362-E374 IonicContact ND1-OE1 2.69Å; H362-E374 IonicContact ND1-OE2 2.81Å; H362-E374 PolarHBondContact ND1-OE2 3.38Å; F372-E374 VanDerWaalsContact C-N 3.3Å; E374-F376 HydrophobicContact CB-CE2 4.34Å; E374-F376 HydrophobicContact CB-CZ 4.17Å |
| 375 | L | 96 | Very high | 81.8 | Confident | 105 Ų | 105 | 65.9 Ų | 65.9 | 55% | 0.55 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 131.8 | -174 | 177.9 | 150.4 | 0 | 0 | 0 | 110.6 | T323 V325 V377 | T323-L375 HydrophobicContact CG2-CD1 3.79Å; T323-L375 HydrophobicContact CG2-CD2 4.32Å; T323-L375 HydrophobicContact CG2-CG 3.85Å; V325-L375 HydrophobicContact CG2-CB 4.25Å; V325-L375 HydrophobicContact CG2-CD1 3.93Å; V325-L375 HydrophobicContact CG2-CG 4.09Å; L375-V377 HydrophobicContact CD2-CG2 3.6Å |
| 376 | F | 96.1 | Very high | 82 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 109.8 | 177.1 | -56.4 | -65.8 | 0 | 0 | 0 | 109.5 | V324 V326 V347 K359 T361 E374 F378 | V324-F376 PolarHBondContact N-O 2.94Å; V324-F376 PolarHBondContact O-N 3.26Å; V326-F376 HydrophobicContact CB-CE2 4.48Å; V326-F376 HydrophobicContact CG2-CD2 4.09Å; V326-F376 HydrophobicContact CG2-CE2 3.78Å; V347-F376 HydrophobicContact CB-CD2 4.41Å; V347-F376 HydrophobicContact CG2-CD2 3.84Å; V347-F376 HydrophobicContact CG2-CE2 3.77Å; K359-F376 HydrophobicContact CB-CD1 3.68Å; K359-F376 HydrophobicContact CB-CE1 3.83Å; K359-F376 HydrophobicContact CB-CG 4.3Å; K359-F376 HydrophobicContact CD-CB 4.13Å; K359-F376 HydrophobicContact CD-CD1 3.65Å; K359-F376 HydrophobicContact CD-CG 4.23Å; K359-F376 HydrophobicContact CG-CD1 4.25Å; T361-F376 HydrophobicContact CG2-CE2 3.96Å; T361-F376 HydrophobicContact CG2-CZ 3.96Å; E374-F376 HydrophobicContact CB-CE2 4.34Å; E374-F376 HydrophobicContact CB-CZ 4.17Å; F376-F378 HydrophobicContact CB-CD2 4.37Å; F376-F378 HydrophobicContact CB-CE2 3.54Å; F376-F378 HydrophobicContact CB-CZ 3.78Å |
| 377 | V | 94.6 | Very high | 82.6 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.8 | 167 | -169.8 | 0 | 0 | 0 | 0 | 109 | T321 K359 L375 | T321-V377 HydrophobicContact CG2-CG1 4.2Å; K359-V377 PolarHBondContact NZ-O 3.39Å; L375-V377 HydrophobicContact CD2-CG2 3.6Å |
| 378 | F | 92.1 | Very high | 83.5 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.022 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.2 | 173 | -58.7 | -86.4 | 0 | 0 | 0 | 110.5 | T321 L322 V324 V347 M349 C357 K359 F376 | T321-F378 CarbonylContact C-O 3.53Å; T321-F378 WeakPolarHBondContact CA-O 3.09Å; L322-F378 PolarHBondContact N-O 3.11Å; L322-F378 PolarHBondContact O-N 2.71Å; V324-F378 HydrophobicContact CB-CE2 4.09Å; V324-F378 HydrophobicContact CG2-CD2 4.01Å; V324-F378 HydrophobicContact CG2-CE2 3.82Å; V347-F378 HydrophobicContact CB-CZ 4.4Å; V347-F378 HydrophobicContact CG1-CE2 4.06Å; V347-F378 HydrophobicContact CG1-CZ 3.75Å; M349-F378 HydrophobicContact CB-CD1 4.15Å; M349-F378 HydrophobicContact CB-CE1 4.2Å; M349-F378 HydrophobicContact CE-CB 3.92Å; M349-F378 HydrophobicContact SD-CB 3.44Å; M349-F378 WeakPolarHBondContact SD-CB 3.28Å; M349-F378 HydrophobicContact SD-CD1 3.69Å; M349-F378 HydrophobicContact SD-CG 3.69Å; C357-F378 HydrophobicContact CB-CD1 3.84Å; C357-F378 HydrophobicContact CB-CE1 3.87Å; K359-F378 HydrophobicContact CD-CE1 3.83Å; K359-F378 HydrophobicContact CD-CZ 4.06Å; K359-F378 HydrophobicContact CG-CE1 4.07Å; K359-F378 HydrophobicContact CG-CZ 4.37Å; F376-F378 HydrophobicContact CB-CD2 4.37Å; F376-F378 HydrophobicContact CB-CE2 3.54Å; F376-F378 HydrophobicContact CB-CZ 3.78Å |
| 379 | D | 90.3 | Very high | 84.6 | Confident | 122 Ų | 122 | 64.2 Ų | 64.2 | 65% | 0.652 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 130.8 | 175.9 | -44 | -56.5 | 0 | 0 | 0 | 109 | T321 | T321-D379 WeakPolarHBondContact CG2-OD1 3.42Å |
| 380 | L | 87.3 | Confident | 85.2 | Confident | 16 Ų | 16 | 61.2 Ų | 61.2 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | trans | -88.7 | 125 | -176.2 | -65.3 | 158.9 | 0 | 0 | 0 | 110.2 | Y315 N320 M349 S382 L386 T389 | Y315-L380 HydrophobicContact CD2-CD1 3.9Å; Y315-L380 HydrophobicContact CE2-CD1 3.42Å; Y315-L380 VanDerWaalsContact CE2-CD1 3.42Å; N320-L380 HydrophobicContact CB-CB 4.23Å; N320-L380 VanDerWaalsContact O-CB 3.27Å; N320-L380 WeakPolarHBondContact O-CB 3.41Å; N320-L380 WeakPolarHBondContact O-CD1 3.33Å; N320-L380 WeakPolarHBondContact O-CG 3.02Å; N320-L380 PolarHBondContact O-N 2.81Å; M349-L380 HydrophobicContact CE-CD2 3.32Å; M349-L380 HydrophobicContact CE-CG 4.21Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.02Å; L380-L386 HydrophobicContact CD1-CD2 3.71Å; L380-L386 HydrophobicContact CD1-CG 4.37Å; L380-L386 HydrophobicContact CD2-CD2 3.88Å; L380-L386 HydrophobicContact CG-CD2 4.47Å; L380-T389 HydrophobicContact CD2-CG2 3.73Å; L380-T389 WeakPolarHBondContact CD2-OG1 3.25Å | ||
| 381 | P | 75.1 | Confident | 85.6 | Confident | 84 Ų | 84 | 61.2 Ų | 61.2 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | trans | -76.1 | -4.7 | -173.3 | -19 | 32.7 | 0 | 0 | 0 | 116.7 | I356 | I356-P381 HydrophobicContact CD1-CG 3.86Š| ||
| 382 | S | 67.1 | Low | 85.8 | Confident | 30 Ų | 30 | 58.8 Ų | 58.8 | 21% | 0.21 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -129.2 | 139.8 | -167.9 | 52.5 | 0 | 0 | 0 | 0 | 113.5 | Q351 L380 E384 G385 | Q351-S382 VanDerWaalsContact NE2-CB 3.34Å; Q351-S382 PolarHBondContact NE2-OG 2.58Å; L380-S382 VanDerWaalsContact C-N 3.3Å; L380-S382 PolarHBondContact O-N 3.02Å; S382-E384 PolarHBondContact O-N 3.05Å; S382-E384 VanDerWaalsContact O-N 3.13Å; S382-G385 PolarHBondContact O-N 3.29Å |
| 383 | E | 64.6 | Low | 85.9 | Confident | 182 Ų | 182 | 58.4 Ų | 58.4 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.7 | 169.8 | -66.6 | -62 | 138.5 | 0 | 0 | 113.2 | G385 | E383-G385 PolarHBondContact O-N 2.97Š|
| 384 | E | 64.7 | Low | 85.8 | Confident | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 3 | 173.9 | -62.6 | -157.7 | -166.2 | 0 | 0 | 114.7 | S382 L386 R387 | S382-E384 PolarHBondContact O-N 3.05Å; S382-E384 VanDerWaalsContact O-N 3.13Å; E384-L386 PolarHBondContact O-N 2.55Å; E384-R387 PolarHBondContact O-N 2.78Å |
| 385 | G | 72.2 | Confident | 85.6 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 3% | 0.031 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -122 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114 | S382 E383 T389 | S382-G385 PolarHBondContact O-N 3.29Å; E383-G385 PolarHBondContact O-N 2.97Å; G385-T389 PolarHBondContact O-OG1 3.38Å |
| 386 | L | 81.4 | Confident | 85.2 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -2.1 | -173.7 | -66.5 | -176.9 | 0 | 0 | 0 | 115.3 | Y315 L322 L380 E384 D388 T389 W427 I430 C431 | Y315-L386 HydrophobicContact CD1-CD1 3.59Å; Y315-L386 HydrophobicContact CD1-CG 4.08Å; Y315-L386 HydrophobicContact CD2-CD1 3.98Å; Y315-L386 HydrophobicContact CD2-CD2 4.18Å; Y315-L386 HydrophobicContact CD2-CG 3.97Å; Y315-L386 HydrophobicContact CE1-CD1 4.17Å; Y315-L386 HydrophobicContact CE1-CG 4.19Å; Y315-L386 HydrophobicContact CE2-CD2 4.48Å; Y315-L386 HydrophobicContact CE2-CG 4.13Å; Y315-L386 HydrophobicContact CG-CD1 3.48Å; Y315-L386 VanDerWaalsContact CG-CD1 3.48Å; Y315-L386 HydrophobicContact CG-CG 3.97Å; L322-L386 HydrophobicContact CB-CD2 4.49Å; L322-L386 HydrophobicContact CD1-CD2 4.41Å; L322-L386 HydrophobicContact CD2-CD2 4.2Å; L380-L386 HydrophobicContact CD1-CD2 3.71Å; L380-L386 HydrophobicContact CD1-CG 4.37Å; L380-L386 HydrophobicContact CD2-CD2 3.88Å; L380-L386 HydrophobicContact CG-CD2 4.47Å; E384-L386 PolarHBondContact O-N 2.55Å; L386-D388 PolarHBondContact O-N 2.86Å; L386-T389 HydrophobicContact CD2-CG2 4.36Å; L386-T389 PolarHBondContact O-N 3.27Å; L386-W427 HydrophobicContact CB-CZ2 4.1Å; L386-W427 HydrophobicContact CD1-CZ2 4.37Å; L386-W427 HydrophobicContact CD2-CH2 4.1Å; L386-W427 HydrophobicContact CD2-CZ2 3.76Å; L386-W427 HydrophobicContact CG-CZ2 4.3Å; L386-I430 HydrophobicContact CD1-CD1 4.18Å; L386-I430 HydrophobicContact CD1-CG1 4.39Å; L386-C431 VanDerWaalsContact CD1-SG 3.59Å |
| 387 | R | 80.5 | Confident | 84.6 | Confident | 185 Ų | 185 | 48.7 Ų | 48.7 | 70% | 0.698 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -47.9 | -171 | -82.2 | -174.8 | 152.3 | -156.8 | -5.5 | 114.2 | E384 T417 | E384-R387 PolarHBondContact O-N 2.78Å; R387-T417 WeakPolarHBondContact O-CG2 3.48Å; R387-T417 PolarHBondContact O-OG1 3.49Å |
| 388 | D | 85.1 | Confident | 83.6 | Confident | 92 Ų | 92 | 47 Ų | 47 | 49% | 0.492 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 14.8 | 178 | -166.4 | 41.3 | 0 | 0 | 0 | 112.2 | Q351 G352 L386 | Q351-D388 CarbonylContact C-O 3.55Å; Q351-D388 WeakPolarHBondContact CA-O 3.02Å; G352-D388 VanDerWaalsContact CA-CG 3.47Å; G352-D388 WeakPolarHBondContact CA-OD1 3.2Å; G352-D388 WeakPolarHBondContact CA-OD2 3.28Å; G352-D388 VanDerWaalsContact N-CG 3.31Å; G352-D388 PolarHBondContact N-O 3.49Å; G352-D388 PolarHBondContact N-OD1 2.88Å; G352-D388 PolarHBondContact N-OD2 3.27Å; L386-D388 PolarHBondContact O-N 2.86Å |
| 389 | T | 90.1 | Very high | 82.3 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 138.2 | 178.5 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | M349 Y350 L380 G385 L386 W427 | M349-T389 HydrophobicContact CE-CG2 3.69Å; M349-T389 HydrophobicContact CG-CG2 4.47Å; Y350-T389 WeakPolarHBondContact O-CA 3.24Å; L380-T389 HydrophobicContact CD2-CG2 3.73Å; L380-T389 WeakPolarHBondContact CD2-OG1 3.25Å; G385-T389 PolarHBondContact O-OG1 3.38Å; L386-T389 HydrophobicContact CD2-CG2 4.36Å; L386-T389 PolarHBondContact O-N 3.27Å; T389-W427 HydrophobicContact CG2-CH2 4Å; T389-W427 HydrophobicContact CG2-CZ2 4.03Å; T389-W427 VanDerWaalsContact O-CZ2 3.28Å; T389-W427 WeakPolarHBondContact O-CZ2 3.27Å |
| 390 | S | 92.8 | Very high | 80.5 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152.4 | 166.6 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | Y350 L415 | Y350-S390 WeakPolarHBondContact CB-OG 3.35Å; Y350-S390 PolarHBondContact N-O 3.09Å; Y350-S390 PolarHBondContact O-N 3.42Å; S390-L415 CarbonylContact C-O 3.5Å; S390-L415 WeakPolarHBondContact CA-O 3.46Å; S390-L415 VanDerWaalsContact CB-O 3.23Å; S390-L415 WeakPolarHBondContact CB-O 3.25Å |
| 391 | V | 94.6 | Very high | 78.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 118.3 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | L322 V324 V347 N348 M349 L393 L415 W427 | L322-V391 HydrophobicContact CD2-CG2 3.72Å; V324-V391 HydrophobicContact CG2-CG1 4.47Å; V324-V391 HydrophobicContact CG2-CG2 4.49Å; V347-V391 HydrophobicContact CG1-CG1 3.68Å; N348-V391 WeakPolarHBondContact O-CA 3.42Å; M349-V391 HydrophobicContact CG-CG2 4.49Å; V391-L393 HydrophobicContact CG1-CD1 3.89Å; V391-L393 HydrophobicContact CG1-CG 4.41Å; V391-L415 HydrophobicContact CB-CB 4.42Å; V391-L415 PolarHBondContact N-O 3.22Å; V391-L415 PolarHBondContact O-N 3.49Å; V391-W427 HydrophobicContact CB-CZ3 4.43Å; V391-W427 HydrophobicContact CG2-CH2 3.96Å; V391-W427 HydrophobicContact CG2-CZ3 3.98Å |
| 392 | E | 94.8 | Very high | 77.3 | Confident | 19 Ų | 19 | 54.7 Ų | 54.7 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 129.4 | 175.3 | 174.7 | -167.6 | -98.6 | 0 | 0 | 109.5 | N348 Y350 L394 R412 L413 V414 | N348-E392 HydrophobicContact CB-CB 4.26Å; N348-E392 PolarHBondContact N-O 3.04Å; N348-E392 PolarHBondContact ND2-OE2 3.03Å; N348-E392 PolarHBondContact O-N 3.21Å; Y350-E392 HydrophobicContact CD2-CB 4.35Å; Y350-E392 HydrophobicContact CE2-CB 4.04Å; E392-L394 HydrophobicContact CG-CD2 4.05Å; E392-L394 HydrophobicContact CG-CG 4.28Å; E392-R412 HydrophobicContact CG-CG 4.33Å; E392-R412 IonicContact OE1-CZ 2.72Å; E392-R412 VanDerWaalsContact OE1-CZ 3.23Å; E392-R412 IonicContact OE1-NE 3.36Å; E392-R412 PolarHBondContact OE1-NE 2.92Å; E392-R412 IonicContact OE1-NH2 3.87Å; E392-R412 PolarHBondContact OE1-NH2 3.1Å; E392-L413 CarbonylContact C-O 3.59Å; E392-L413 WeakPolarHBondContact CA-O 3.4Å; E392-V414 HydrophobicContact CB-CG2 4.41Å; E392-V414 HydrophobicContact CG-CG2 4.31Å |
| 393 | L | 94.9 | Very high | 76.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 122.4 | 174.8 | -61.5 | 97.3 | 0 | 0 | 0 | 109.6 | L309 L311 V326 V345 K346 V347 V391 R412 L413 L415 | L309-L393 HydrophobicContact CD2-CB 4.27Å; L309-L393 HydrophobicContact CD2-CD2 3.9Å; L311-L393 HydrophobicContact CD1-CD1 3.72Å; L311-L393 HydrophobicContact CD1-CD2 3.64Å; L311-L393 HydrophobicContact CD1-CG 4.31Å; L311-L393 HydrophobicContact CD2-CD2 3.6Å; L311-L393 HydrophobicContact CG-CD2 4.26Å; V326-L393 HydrophobicContact CG2-CD2 4.12Å; V345-L393 HydrophobicContact CG1-CB 4.04Å; V345-L393 HydrophobicContact CG1-CD2 4.02Å; K346-L393 WeakPolarHBondContact O-CA 3.24Å; V347-L393 HydrophobicContact CG1-CG 4.46Å; V347-L393 HydrophobicContact CG2-CD2 4.03Å; V347-L393 HydrophobicContact CG2-CG 4.4Å; V391-L393 HydrophobicContact CG1-CD1 3.89Å; V391-L393 HydrophobicContact CG1-CG 4.41Å; L393-R412 CarbonylContact O-C 3.48Å; L393-R412 WeakPolarHBondContact O-CA 3.2Å; L393-L413 HydrophobicContact CB-CB 4.42Å; L393-L413 HydrophobicContact CD1-CD2 4.34Å; L393-L413 HydrophobicContact CD1-CG 4.45Å; L393-L413 PolarHBondContact N-O 2.97Å; L393-L413 PolarHBondContact O-N 3.48Å; L393-L415 HydrophobicContact CD1-CD1 3.74Å; L393-L415 HydrophobicContact CD1-CG 4.45Å |
| 394 | L | 92.4 | Very high | 75.3 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.131 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 109.6 | 175.9 | -55 | 175.2 | 0 | 0 | 0 | 108.4 | V345 K346 E392 M396 R412 | V345-L394 CarbonylContact C-O 3.44Å; V345-L394 WeakPolarHBondContact CA-O 3.49Å; K346-L394 HydrophobicContact CB-CB 4.33Å; K346-L394 PolarHBondContact N-O 3.42Å; K346-L394 PolarHBondContact O-N 2.93Å; E392-L394 HydrophobicContact CG-CD2 4.05Å; E392-L394 HydrophobicContact CG-CG 4.28Å; L394-M396 HydrophobicContact CB-CG 4.2Å; L394-M396 HydrophobicContact CB-SD 4.44Å; L394-R412 HydrophobicContact CD2-CB 3.91Å; L394-R412 HydrophobicContact CD2-CG 3.65Å |
| 395 | L | 90.3 | Very high | 74.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.9 | 166.9 | -179 | 72.3 | 0 | 0 | 0 | 108.2 | L332 P343 V345 F372 I410 G411 M444 | L332-L395 HydrophobicContact CD1-CD2 4.09Å; L332-L395 HydrophobicContact CD2-CD2 3.34Å; L332-L395 HydrophobicContact CG-CD2 4.31Å; P343-L395 HydrophobicContact CB-CD1 4.14Å; V345-L395 HydrophobicContact CG2-CD1 3.7Å; F372-L395 HydrophobicContact CZ-CD1 4.43Å; L395-I410 HydrophobicContact CB-CB 4.4Å; L395-I410 HydrophobicContact CD2-CB 3.98Å; L395-I410 HydrophobicContact CD2-CD1 4.34Å; L395-I410 HydrophobicContact CD2-CG2 3.75Å; L395-I410 HydrophobicContact CG-CB 3.99Å; L395-I410 HydrophobicContact CG-CD1 4.19Å; L395-I410 HydrophobicContact CG-CG2 4.33Å; L395-I410 WeakPolarHBondContact O-CA 3.37Å; L395-I410 WeakPolarHBondContact O-CB 3.42Å; L395-I410 PolarHBondContact O-N 3.06Å; L395-G411 PolarHBondContact N-O 3.2Å; L395-G411 PolarHBondContact O-N 3.32Å; L395-G411 VanDerWaalsContact O-N 3.17Å; L395-M444 HydrophobicContact CB-CE 4.02Å |
| 396 | M | 87.7 | Confident | 73.4 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 6% | 0.064 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151 | -174.4 | -54.1 | -168.6 | 82.4 | 0 | 0 | 111.2 | P343 Y344 K346 L394 N407 T408 V409 | P343-M396 WeakPolarHBondContact CA-O 3.29Å; Y344-M396 HydrophobicContact CD1-CB 4.22Å; Y344-M396 WeakPolarHBondContact CD1-O 3.48Å; Y344-M396 HydrophobicContact CE1-CB 3.75Å; Y344-M396 PolarHBondContact N-O 3.29Å; Y344-M396 PolarHBondContact O-N 3.46Å; K346-M396 HydrophobicContact CD-SD 3.47Å; K346-M396 WeakPolarHBondContact CD-SD 3.44Å; K346-M396 WeakPolarHBondContact CE-SD 3.45Å; K346-M396 HydrophobicContact CG-SD 4.11Å; K346-M396 PolarHBondContact NZ-SD 3.46Å; L394-M396 HydrophobicContact CB-CG 4.2Å; L394-M396 HydrophobicContact CB-SD 4.44Å; M396-N407 HydrophobicContact CE-CB 3.83Å; M396-N407 WeakPolarHBondContact CE-O 3.28Å; M396-T408 WeakPolarHBondContact CA-O 3.27Å; M396-V409 HydrophobicContact CE-CB 4.46Å; M396-V409 HydrophobicContact CE-CG2 3.46Å; M396-V409 VanDerWaalsContact CE-CG2 3.46Å; M396-V409 HydrophobicContact CG-CG2 4.43Å; M396-V409 HydrophobicContact SD-CG2 4.44Å |
| 397 | D | 83.8 | Confident | 72.4 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.064 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.4 | 171.5 | -160 | 7.3 | 0 | 0 | 0 | 110.2 | T341 D342 D399 T408 I410 | T341-D397 WeakPolarHBondContact CA-OD1 3.39Å; D342-D397 PolarHBondContact N-OD1 3.25Å; D397-D399 PolarHBondContact O-N 3.35Å; D397-T408 PolarHBondContact N-O 3.22Å; D397-T408 VanDerWaalsContact N-O 3.09Å; D397-I410 HydrophobicContact CB-CD1 4Å; D397-I410 HydrophobicContact CB-CG1 4.14Å |
| 398 | S | 74.1 | Confident | 72.1 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 15% | 0.154 | 36% | 0.356 | C | S | . | . | trans | -97.2 | 62.7 | -179.5 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | D342 N400 | D342-S398 VanDerWaalsContact O-CB 3.23Å; D342-S398 WeakPolarHBondContact O-CB 3.44Å; D342-S398 PolarHBondContact O-N 3.17Å; S398-N400 PolarHBondContact O-N 2.74Å; S398-N400 VanDerWaalsContact O-N 3.09Å | ||
| 399 | D | 64.3 | Low | 71.9 | Confident | 69 Ų | 69 | 60.2 Ų | 60.2 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | trans | -60.2 | 116.8 | 173.3 | -167.8 | -22 | 0 | 0 | 0 | 110.2 | D397 G401 S402 | D397-D399 PolarHBondContact O-N 3.35Å; D399-G401 PolarHBondContact OD1-N 2.78Å; D399-S402 PolarHBondContact OD1-N 2.71Å | ||
| 400 | N | 52.8 | Low | 71.5 | Confident | 156 Ų | 156 | 61.1 Ų | 61.1 | 83% | 0.834 | 35% | 0.352 | S | S | * | . | trans | -119.2 | 15.6 | -176.7 | -150 | 73.2 | 0 | 0 | 0 | 111.1 | S398 | S398-N400 PolarHBondContact O-N 2.74Å; S398-N400 VanDerWaalsContact O-N 3.09Å | ||
| 401 | G | 51 | Low | 71.3 | Confident | 63 Ų | 63 | 59.7 Ų | 59.7 | 65% | 0.649 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -125.3 | -50.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | D399 | D399-G401 PolarHBondContact OD1-N 2.78Š|
| 402 | S | 44.5 | Very low | 71.1 | Confident | 101 Ų | 101 | 62.9 Ų | 62.9 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -161.7 | 130.5 | -173.9 | -84.2 | 0 | 0 | 0 | 0 | 116.8 | D399 | D399-S402 PolarHBondContact OD1-N 2.71Š|
| 403 | S | 40.7 | Very low | 71 | Confident | 99 Ų | 99 | 62.4 Ų | 62.4 | 69% | 0.692 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 72.7 | 103.1 | 159.3 | -159.4 | 0 | 0 | 0 | 0 | 119.2 | N405 | S403-N405 VanDerWaalsContact C-N 3.31Å; S403-N405 PolarHBondContact O-N 2.74Å |
| 404 | R | 47.8 | Very low | 71 | Confident | 250 Ų | 250 | 64.8 Ų | 64.8 | 94% | 0.943 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 60.8 | -2.2 | 138.3 | -64.5 | -173.8 | 179.5 | 174.4 | 1.4 | 121 | ||
| 405 | N | 48.2 | Very low | 71.1 | Confident | 112 Ų | 112 | 63.6 Ų | 63.6 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | trans | -130.8 | 102.5 | 175.6 | -150.4 | 1.4 | 0 | 0 | 0 | 112.9 | S403 N407 | S403-N405 VanDerWaalsContact C-N 3.31Å; S403-N405 PolarHBondContact O-N 2.74Å; N405-N407 PolarHBondContact O-N 3.14Å | ||
| 406 | P | 49.5 | Very low | 71.1 | Confident | 108 Ų | 108 | 63.8 Ų | 63.8 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | trans | -79.3 | 113.9 | -172.2 | 30.4 | -33.8 | 0 | 0 | 0 | 112.7 | ||||
| 407 | N | 61.5 | Low | 71.1 | Confident | 58 Ų | 58 | 67 Ų | 67 | 31% | 0.31 | 38% | 0.382 | S | S | . | . | trans | 53.6 | 79 | 173 | -62.1 | -97.8 | 0 | 0 | 0 | 114.3 | Y344 M396 N405 V409 | Y344-N407 PolarHBondContact OH-OD1 2.85Å; M396-N407 HydrophobicContact CE-CB 3.83Å; M396-N407 WeakPolarHBondContact CE-O 3.28Å; N405-N407 PolarHBondContact O-N 3.14Å; N407-V409 PolarHBondContact O-N 2.91Å | ||
| 408 | T | 72.9 | Confident | 71.1 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 44% | 0.442 | 42% | 0.42 | S | S | . | . | trans | -61.3 | 128.7 | 173 | -52.1 | 0 | 0 | 0 | 0 | 111 | M396 D397 I410 | M396-T408 WeakPolarHBondContact CA-O 3.27Å; D397-T408 PolarHBondContact N-O 3.22Å; D397-T408 VanDerWaalsContact N-O 3.09Å; T408-I410 PolarHBondContact O-N 2.78Å | ||
| 409 | V | 81.5 | Confident | 71.7 | Confident | 52 Ų | 52 | 72.2 Ų | 72.2 | 32% | 0.315 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 110.5 | 167.8 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | R306 M396 N407 | R306-V409 PolarHBondContact NH1-O 2.99Å; M396-V409 HydrophobicContact CE-CB 4.46Å; M396-V409 HydrophobicContact CE-CG2 3.46Å; M396-V409 VanDerWaalsContact CE-CG2 3.46Å; M396-V409 HydrophobicContact CG-CG2 4.43Å; M396-V409 HydrophobicContact SD-CG2 4.44Å; N407-V409 PolarHBondContact O-N 2.91Å |
| 410 | I | 82.4 | Confident | 72.6 | Confident | 21 Ų | 21 | 73.2 Ų | 73.2 | 11% | 0.108 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | -50.9 | 171.9 | -60.1 | 177.7 | 0 | 0 | 0 | 108 | R306 P333 P343 L395 D397 T408 | R306-I410 WeakPolarHBondContact CB-O 3.15Å; R306-I410 WeakPolarHBondContact CD-O 3.1Å; R306-I410 WeakPolarHBondContact CG-O 3.23Å; R306-I410 PolarHBondContact NH1-O 3.29Å; P333-I410 HydrophobicContact CG-CG2 3.92Å; P343-I410 HydrophobicContact CB-CD1 4.46Å; L395-I410 HydrophobicContact CB-CB 4.4Å; L395-I410 HydrophobicContact CD2-CB 3.98Å; L395-I410 HydrophobicContact CD2-CD1 4.34Å; L395-I410 HydrophobicContact CD2-CG2 3.75Å; L395-I410 HydrophobicContact CG-CB 3.99Å; L395-I410 HydrophobicContact CG-CD1 4.19Å; L395-I410 HydrophobicContact CG-CG2 4.33Å; L395-I410 WeakPolarHBondContact O-CA 3.37Å; L395-I410 WeakPolarHBondContact O-CB 3.42Å; L395-I410 PolarHBondContact O-N 3.06Å; D397-I410 HydrophobicContact CB-CD1 4Å; D397-I410 HydrophobicContact CB-CG1 4.14Å; T408-I410 PolarHBondContact O-N 2.78Å |
| 411 | G | 87.7 | Confident | 74.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 165.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L395 M444 S445 | L395-G411 PolarHBondContact N-O 3.2Å; L395-G411 PolarHBondContact O-N 3.32Å; L395-G411 VanDerWaalsContact O-N 3.17Å; G411-M444 WeakPolarHBondContact O-CE 3.42Å; G411-S445 WeakPolarHBondContact CA-O 3.49Å |
| 412 | R | 90.7 | Very high | 76 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 25% | 0.253 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 156.7 | -176.3 | -178.6 | 157.7 | 175 | -90.3 | 2.5 | 111.6 | E392 L393 L394 V414 M444 S445 E447 | E392-R412 HydrophobicContact CG-CG 4.33Å; E392-R412 IonicContact OE1-CZ 2.72Å; E392-R412 VanDerWaalsContact OE1-CZ 3.23Å; E392-R412 IonicContact OE1-NE 3.36Å; E392-R412 PolarHBondContact OE1-NE 2.92Å; E392-R412 IonicContact OE1-NH2 3.87Å; E392-R412 PolarHBondContact OE1-NH2 3.1Å; L393-R412 CarbonylContact O-C 3.48Å; L393-R412 WeakPolarHBondContact O-CA 3.2Å; L394-R412 HydrophobicContact CD2-CB 3.91Å; L394-R412 HydrophobicContact CD2-CG 3.65Å; R412-V414 HydrophobicContact CG-CG2 4.43Å; R412-M444 CarbonylContact O-C 3.48Å; R412-M444 VanDerWaalsContact O-CA 3.28Å; R412-M444 WeakPolarHBondContact O-CA 3.48Å; R412-S445 PolarHBondContact N-O 3.05Å; R412-S445 PolarHBondContact O-N 3.31Å; R412-S445 PolarHBondContact O-OG 3.38Å; R412-S445 VanDerWaalsContact O-OG 3.11Å; R412-E447 WeakPolarHBondContact CB-O 3.45Å; R412-E447 WeakPolarHBondContact CD-O 3.42Å; R412-E447 VanDerWaalsContact CD-OXT 3.24Å; R412-E447 WeakPolarHBondContact CD-OXT 3.36Å; R412-E447 WeakPolarHBondContact CG-O 3.49Å; R412-E447 PolarHBondContact NH1-O 2.95Å; R412-E447 PolarHBondContact NH1-OXT 3.29Å |
| 413 | L | 92.9 | Very high | 78.2 | Confident | 10 Ų | 10 | 64 Ų | 64 | 5% | 0.052 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 131.8 | 174.7 | 168.9 | 63.5 | 0 | 0 | 0 | 107.7 | L311 E392 L393 A423 H442 M444 | L311-L413 HydrophobicContact CD1-CD2 3.62Å; E392-L413 CarbonylContact C-O 3.59Å; E392-L413 WeakPolarHBondContact CA-O 3.4Å; L393-L413 HydrophobicContact CB-CB 4.42Å; L393-L413 HydrophobicContact CD1-CD2 4.34Å; L393-L413 HydrophobicContact CD1-CG 4.45Å; L393-L413 PolarHBondContact N-O 2.97Å; L393-L413 PolarHBondContact O-N 3.48Å; L413-A423 HydrophobicContact CD1-CB 4.1Å; L413-H442 HydrophobicContact CD1-CB 3.84Å; L413-H442 HydrophobicContact CD2-CB 3.46Å; L413-H442 VanDerWaalsContact CD2-CB 3.46Å; L413-H442 HydrophobicContact CG-CB 4.31Å; L413-M444 HydrophobicContact CB-CE 3.73Å; L413-M444 HydrophobicContact CB-SD 3.69Å; L413-M444 HydrophobicContact CD2-SD 4.1Å |
| 414 | V | 93.9 | Very high | 80.6 | Confident | 50 Ų | 50 | 59.5 Ų | 59.5 | 30% | 0.303 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.6 | 177.1 | -176 | 0 | 0 | 0 | 0 | 109.2 | E392 R412 A419 A423 | E392-V414 HydrophobicContact CB-CG2 4.41Å; E392-V414 HydrophobicContact CG-CG2 4.31Å; R412-V414 HydrophobicContact CG-CG2 4.43Å; V414-A419 WeakPolarHBondContact O-CB 3.49Å; V414-A423 WeakPolarHBondContact O-CB 3.37Å |
| 415 | L | 93.9 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.2 | 173.1 | -64.9 | 160.6 | 0 | 0 | 0 | 108.5 | L311 L313 S390 V391 L393 A423 W427 | L311-L415 HydrophobicContact CD1-CD1 3.83Å; L313-L415 HydrophobicContact CD1-CD1 4Å; L313-L415 HydrophobicContact CD1-CD2 4.37Å; L313-L415 HydrophobicContact CD2-CD1 4.22Å; S390-L415 CarbonylContact C-O 3.5Å; S390-L415 WeakPolarHBondContact CA-O 3.46Å; S390-L415 VanDerWaalsContact CB-O 3.23Å; S390-L415 WeakPolarHBondContact CB-O 3.25Å; V391-L415 HydrophobicContact CB-CB 4.42Å; V391-L415 PolarHBondContact N-O 3.22Å; V391-L415 PolarHBondContact O-N 3.49Å; L393-L415 HydrophobicContact CD1-CD1 3.74Å; L393-L415 HydrophobicContact CD1-CG 4.45Å; L415-A423 HydrophobicContact CD2-CB 3.92Å; L415-W427 HydrophobicContact CB-CE3 3.76Å; L415-W427 HydrophobicContact CB-CZ3 4.03Å |
| 416 | G | 91.9 | Very high | 85 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | 174.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S418 A419 | G416-S418 VanDerWaalsContact C-N 3.27Å; G416-S418 PolarHBondContact O-N 2.96Å; G416-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 PolarHBondContact O-N 3.15Å; G416-A419 VanDerWaalsContact O-N 3.14Å |
| 417 | T | 86.8 | Confident | 87.1 | Confident | 80 Ų | 80 | 41.8 Ų | 41.8 | 49% | 0.491 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -37.1 | 177.7 | 42.5 | 0 | 0 | 0 | 0 | 113.2 | R387 | R387-T417 WeakPolarHBondContact O-CG2 3.48Å; R387-T417 PolarHBondContact O-OG1 3.49Å |
| 418 | S | 84.4 | Confident | 88.6 | Confident | 122 Ų | 122 | 46.2 Ų | 46.2 | 85% | 0.853 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 6.4 | 178 | -50.7 | 0 | 0 | 0 | 0 | 114.6 | G416 | G416-S418 VanDerWaalsContact C-N 3.27Å; G416-S418 PolarHBondContact O-N 2.96Å |
| 419 | A | 86.9 | Confident | 89.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -74.9 | 138.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V414 G416 A423 G424 | V414-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 WeakPolarHBondContact O-CB 3.49Å; G416-A419 PolarHBondContact O-N 3.15Å; G416-A419 VanDerWaalsContact O-N 3.14Å; A419-A423 HydrophobicContact CB-CB 4.06Å; A419-G424 VanDerWaalsContact O-CA 3.22Å; A419-G424 WeakPolarHBondContact O-CA 3.15Å | ||
| 420 | A | 81.9 | Confident | 90.2 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 75% | 0.752 | 25% | 0.253 | S | S | * | . | trans | -86.2 | 160.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 421 | G | 87.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | 59.3 | -145.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A423 G424 E425 | G421-A423 PolarHBondContact O-N 3.1Å; G421-A423 VanDerWaalsContact O-N 3.11Å; G421-G424 PolarHBondContact O-N 3.32Å; G421-G424 VanDerWaalsContact O-N 3.12Å; G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.07Å |
| 422 | T | 89 | Confident | 90.8 | Very high | 67 Ų | 67 | 48.9 Ų | 48.9 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -28.7 | -173.8 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | H426 H442 | T422-H426 WeakPolarHBondContact O-CB 3.36Å; T422-H426 PolarHBondContact O-N 3.02Å; T422-H442 PolarHBondContact O-CE1 3.3Å; T422-H442 PolarHBondContact OG1-ND1 3.49Å |
| 423 | A | 90.6 | Very high | 90.9 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67 | -47.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L413 V414 L415 A419 G421 H426 W427 | L413-A423 HydrophobicContact CD1-CB 4.1Å; V414-A423 WeakPolarHBondContact O-CB 3.37Å; L415-A423 HydrophobicContact CD2-CB 3.92Å; A419-A423 HydrophobicContact CB-CB 4.06Å; G421-A423 PolarHBondContact O-N 3.1Å; G421-A423 VanDerWaalsContact O-N 3.11Å; A423-H426 PolarHBondContact O-N 3.43Å; A423-W427 PolarHBondContact O-N 2.75Å; A423-W427 VanDerWaalsContact O-N 3.08Å |
| 424 | G | 91.3 | Very high | 90.7 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A419 G421 W427 R428 | A419-G424 VanDerWaalsContact O-CA 3.22Å; A419-G424 WeakPolarHBondContact O-CA 3.15Å; G421-G424 PolarHBondContact O-N 3.32Å; G421-G424 VanDerWaalsContact O-N 3.12Å; G424-W427 PolarHBondContact O-N 3.19Å; G424-R428 WeakPolarHBondContact O-CB 3.42Å; G424-R428 PolarHBondContact O-N 3.42Å |
| 425 | E | 92.6 | Very high | 90.6 | Very high | 96 Ų | 96 | 57.4 Ų | 57.4 | 45% | 0.449 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 174.1 | -69.7 | 171.6 | -178.2 | 0 | 0 | 112.4 | G421 W427 R428 E429 | G421-E425 PolarHBondContact O-N 3.49Å; G421-E425 VanDerWaalsContact O-N 3.07Å; E425-W427 VanDerWaalsContact C-N 3.35Å; E425-R428 PolarHBondContact O-N 2.93Å; E425-E429 WeakPolarHBondContact O-CB 3.06Å; E425-E429 PolarHBondContact O-N 3.41Å |
| 426 | H | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 176.2 | -165.3 | -170.4 | 0 | 0 | 0 | 111.8 | L311 L313 T422 A423 I430 I438 A439 K440 H442 | L311-H426 PolarHBondContact O-CE1 3Å; L313-H426 VanDerWaalsContact CG-CE1 3.46Å; L313-H426 WeakPolarHBondContact CG-CE1 3.46Å; L313-H426 PolarHBondContact N-NE2 3.45Å; T422-H426 WeakPolarHBondContact O-CB 3.36Å; T422-H426 PolarHBondContact O-N 3.02Å; A423-H426 PolarHBondContact O-N 3.43Å; H426-I430 PolarHBondContact O-N 3.02Å; H426-I438 PolarHBondContact CE1-O 3.22Å; H426-I438 WeakPolarHBondContact NE2-CA 3.11Å; H426-I438 WeakPolarHBondContact NE2-CB 3.48Å; H426-I438 VanDerWaalsContact NE2-CG2 3.25Å; H426-I438 WeakPolarHBondContact NE2-CG2 3.39Å; H426-I438 PolarHBondContact NE2-O 3.46Å; H426-A439 PolarHBondContact NE2-N 3.14Å; H426-K440 HydrophobicContact CB-CD 3.93Å; H426-H442 AromaticContact CG-CE1 3.99Å; H426-H442 AromaticContact CG-NE2 3.75Å; H426-H442 AromaticContact ND1-CE1 3.56Å; H426-H442 AromaticContact ND1-NE2 2.89Å; H426-H442 PolarHBondContact ND1-NE2 3.49Å |
| 427 | W | 94.7 | Very high | 90.7 | Very high | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 176 | -163.3 | -99.2 | 0 | 0 | 0 | 112.4 | L313 L322 L386 T389 V391 L415 A423 G424 E425 I430 C431 | L313-W427 HydrophobicContact CD1-CE3 4.35Å; L322-W427 HydrophobicContact CD2-CH2 3.55Å; L322-W427 HydrophobicContact CD2-CZ3 3.87Å; L386-W427 HydrophobicContact CB-CZ2 4.1Å; L386-W427 HydrophobicContact CD1-CZ2 4.37Å; L386-W427 HydrophobicContact CD2-CH2 4.1Å; L386-W427 HydrophobicContact CD2-CZ2 3.76Å; L386-W427 HydrophobicContact CG-CZ2 4.3Å; T389-W427 HydrophobicContact CG2-CH2 4Å; T389-W427 HydrophobicContact CG2-CZ2 4.03Å; T389-W427 VanDerWaalsContact O-CZ2 3.28Å; T389-W427 WeakPolarHBondContact O-CZ2 3.27Å; V391-W427 HydrophobicContact CB-CZ3 4.43Å; V391-W427 HydrophobicContact CG2-CH2 3.96Å; V391-W427 HydrophobicContact CG2-CZ3 3.98Å; L415-W427 HydrophobicContact CB-CE3 3.76Å; L415-W427 HydrophobicContact CB-CZ3 4.03Å; A423-W427 PolarHBondContact O-N 2.75Å; A423-W427 VanDerWaalsContact O-N 3.08Å; G424-W427 PolarHBondContact O-N 3.19Å; E425-W427 VanDerWaalsContact C-N 3.35Å; W427-I430 HydrophobicContact CD2-CD1 4.44Å; W427-I430 HydrophobicContact CE3-CD1 4.07Å; W427-I430 HydrophobicContact CZ3-CD1 4.44Å; W427-I430 WeakPolarHBondContact O-CG1 3.33Å; W427-C431 PolarHBondContact O-N 3.42Å; W427-C431 PolarHBondContact O-SG 3.19Å |
| 428 | R | 92.7 | Very high | 91.1 | Very high | 151 Ų | 151 | 64.6 Ų | 64.6 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 175.3 | -162.9 | -176 | -57.3 | 124.6 | 7.1 | 111.3 | G424 E425 I430 C431 D432 | G424-R428 WeakPolarHBondContact O-CB 3.42Å; G424-R428 PolarHBondContact O-N 3.42Å; E425-R428 PolarHBondContact O-N 2.93Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.46Å; R428-C431 WeakPolarHBondContact O-CA 3.46Å; R428-C431 WeakPolarHBondContact O-CB 3.27Å; R428-C431 PolarHBondContact O-N 3.02Å; R428-D432 VanDerWaalsContact O-CG 3.26Å; R428-D432 PolarHBondContact O-N 3.15Å |
| 429 | E | 93.8 | Very high | 91.7 | Very high | 45 Ų | 45 | 61.5 Ų | 61.5 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -32.8 | -176.1 | -158.3 | -173.8 | 154.5 | 0 | 0 | 113.3 | E425 H433 R436 I438 K440 | E425-E429 WeakPolarHBondContact O-CB 3.06Å; E425-E429 PolarHBondContact O-N 3.41Å; E429-H433 WeakPolarHBondContact O-CB 3.49Å; E429-H433 PolarHBondContact O-N 3.1Å; E429-H433 PolarHBondContact O-ND1 3.18Å; E429-R436 IonicContact OE1-NH1 3.91Å; E429-I438 HydrophobicContact CB-CD1 4.02Å; E429-I438 HydrophobicContact CG-CD1 3.58Å; E429-K440 WeakPolarHBondContact OE2-CE 3.23Å; E429-K440 IonicContact OE2-NZ 2.63Å; E429-K440 PolarHBondContact OE2-NZ 3.49Å |
| 430 | I | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -75.9 | -23.6 | 172.9 | 65.5 | 170 | 0 | 0 | 0 | 113.7 | L313 L322 L386 H426 W427 R428 I438 | L313-I430 HydrophobicContact CB-CD1 3.88Å; L313-I430 HydrophobicContact CB-CG2 3.7Å; L313-I430 HydrophobicContact CD1-CD1 3.97Å; L322-I430 HydrophobicContact CD1-CD1 3.86Å; L386-I430 HydrophobicContact CD1-CD1 4.18Å; L386-I430 HydrophobicContact CD1-CG1 4.39Å; H426-I430 PolarHBondContact O-N 3.02Å; W427-I430 HydrophobicContact CD2-CD1 4.44Å; W427-I430 HydrophobicContact CE3-CD1 4.07Å; W427-I430 HydrophobicContact CZ3-CD1 4.44Å; W427-I430 WeakPolarHBondContact O-CG1 3.33Å; R428-I430 VanDerWaalsContact C-N 3.3Å; R428-I430 PolarHBondContact O-N 3.46Å; I430-I438 HydrophobicContact CG2-CB 4.18Å; I430-I438 HydrophobicContact CG2-CD1 4.09Å; I430-I438 HydrophobicContact CG2-CG1 4.23Å |
| 431 | C | 90.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.2 | -43 | 171.1 | -63.2 | 0 | 0 | 0 | 0 | 110.3 | L386 W427 R428 H433 | L386-C431 VanDerWaalsContact CD1-SG 3.59Å; W427-C431 PolarHBondContact O-N 3.42Å; W427-C431 PolarHBondContact O-SG 3.19Å; R428-C431 WeakPolarHBondContact O-CA 3.46Å; R428-C431 WeakPolarHBondContact O-CB 3.27Å; R428-C431 PolarHBondContact O-N 3.02Å; C431-H433 VanDerWaalsContact C-N 3.33Å |
| 432 | D | 92.3 | Very high | 92.7 | Very high | 106 Ų | 106 | 59.9 Ų | 59.9 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70.7 | -28.2 | -179.8 | -58.7 | -23.2 | 0 | 0 | 0 | 112.4 | R428 P434 | R428-D432 VanDerWaalsContact O-CG 3.26Å; R428-D432 PolarHBondContact O-N 3.15Å; D432-P434 WeakPolarHBondContact O-CD 3.29Å |
| 433 | H | 92.3 | Very high | 92.7 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 36% | 0.361 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -123.8 | 69.1 | -178.3 | -53.3 | 87.5 | 0 | 0 | 0 | 112.4 | E429 C431 R436 I438 | E429-H433 WeakPolarHBondContact O-CB 3.49Å; E429-H433 PolarHBondContact O-N 3.1Å; E429-H433 PolarHBondContact O-ND1 3.18Å; C431-H433 VanDerWaalsContact C-N 3.33Å; H433-R436 HydrophobicContact CB-CB 3.79Å; H433-R436 HydrophobicContact CB-CG 4.46Å; H433-R436 WeakPolarHBondContact O-CB 3.39Å; H433-R436 PolarHBondContact O-N 3.28Å; H433-R436 VanDerWaalsContact O-N 3.1Å; H433-I438 HydrophobicContact CB-CD1 4.4Å |
| 434 | P | 89.3 | Confident | 92.5 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 34% | 0.338 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 144.1 | 178.9 | 26.3 | -34.7 | 0 | 0 | 0 | 111.9 | Y315 D432 R436 | Y315-P434 CarbonylContact O-C 3.31Å; Y315-P434 WeakPolarHBondContact O-CA 3.13Å; D432-P434 WeakPolarHBondContact O-CD 3.29Å; P434-R436 PolarHBondContact O-N 3.5Å |
| 435 | R | 91.6 | Very high | 92.1 | Very high | 177 Ų | 177 | 62.6 Ų | 62.6 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -2 | -170.3 | -54.9 | 171.9 | -67.5 | -157.8 | -0.4 | 115.5 | C314 Y315 Q316 | C314-R435 VanDerWaalsContact SG-C 3.6Å; Y315-R435 PolarHBondContact O-N 3.49Å; Q316-R435 HydrophobicContact CB-CG 4.5Å; Q316-R435 HydrophobicContact CG-CG 4.05Å |
| 436 | R | 93.8 | Very high | 90.9 | Very high | 129 Ų | 129 | 64.9 Ų | 64.9 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | trans | -82.4 | 124.1 | 172.7 | -166.6 | 179.4 | 177.9 | -169.2 | -3 | 109.8 | E429 H433 P434 I438 | E429-R436 IonicContact OE1-NH1 3.91Å; H433-R436 HydrophobicContact CB-CB 3.79Å; H433-R436 HydrophobicContact CB-CG 4.46Å; H433-R436 WeakPolarHBondContact O-CB 3.39Å; H433-R436 PolarHBondContact O-N 3.28Å; H433-R436 VanDerWaalsContact O-N 3.1Å; P434-R436 PolarHBondContact O-N 3.5Å; R436-I438 HydrophobicContact CB-CD1 4.45Å; R436-I438 HydrophobicContact CB-CG1 4.22Å; R436-I438 HydrophobicContact CG-CD1 4.31Å; R436-I438 HydrophobicContact CG-CG1 3.89Å; R436-I438 PolarHBondContact O-N 3.13Å | ||
| 437 | Q | 94.6 | Very high | 88.8 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | trans | -78.9 | 115.1 | 169.2 | -168.1 | 71.3 | 53.2 | 0 | 0 | 108.9 | S312 L313 C314 | S312-Q437 WeakPolarHBondContact OG-CG 3.2Å; S312-Q437 PolarHBondContact OG-NE2 2.9Å; L313-Q437 PolarHBondContact O-NE2 3.31Å; C314-Q437 HydrophobicContact CB-CB 4.43Å | ||
| 438 | I | 95.6 | Very high | 88.5 | Confident | 11 Ų | 11 | 77.5 Ų | 77.5 | 6% | 0.056 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.6 | -175.3 | -52.9 | -171.5 | 0 | 0 | 0 | 108.9 | S312 L313 H426 E429 I430 H433 R436 | S312-I438 CarbonylContact C-O 3.58Å; S312-I438 WeakPolarHBondContact CA-O 3.17Å; S312-I438 VanDerWaalsContact OG-C 3.29Å; S312-I438 PolarHBondContact OG-O 3.41Å; L313-I438 PolarHBondContact N-O 2.85Å; L313-I438 PolarHBondContact O-N 3.39Å; H426-I438 PolarHBondContact CE1-O 3.22Å; H426-I438 WeakPolarHBondContact NE2-CA 3.11Å; H426-I438 WeakPolarHBondContact NE2-CB 3.48Å; H426-I438 VanDerWaalsContact NE2-CG2 3.25Å; H426-I438 WeakPolarHBondContact NE2-CG2 3.39Å; H426-I438 PolarHBondContact NE2-O 3.46Å; E429-I438 HydrophobicContact CB-CD1 4.02Å; E429-I438 HydrophobicContact CG-CD1 3.58Å; I430-I438 HydrophobicContact CG2-CB 4.18Å; I430-I438 HydrophobicContact CG2-CD1 4.09Å; I430-I438 HydrophobicContact CG2-CG1 4.23Å; H433-I438 HydrophobicContact CB-CD1 4.4Å; R436-I438 HydrophobicContact CB-CD1 4.45Å; R436-I438 HydrophobicContact CB-CG1 4.22Å; R436-I438 HydrophobicContact CG-CD1 4.31Å; R436-I438 HydrophobicContact CG-CG1 3.89Å; R436-I438 PolarHBondContact O-N 3.13Å |
| 439 | A | 95.8 | Very high | 88.3 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 128.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L310 L311 L327 H426 | L310-A439 HydrophobicContact CD1-CB 4.49Å; L311-A439 CarbonylContact O-C 3.53Å; L311-A439 VanDerWaalsContact O-CA 3.26Å; L311-A439 WeakPolarHBondContact O-CA 3.46Å; L327-A439 HydrophobicContact CD1-CB 4.42Å; H426-A439 PolarHBondContact NE2-N 3.14Å |
| 440 | K | 93.6 | Very high | 88 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 24% | 0.235 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 148.3 | 179.4 | -67.9 | -168.4 | -178 | 177.1 | 0 | 112 | L310 L311 H426 E429 H442 | L310-K440 WeakPolarHBondContact CD1-O 3.35Å; L311-K440 PolarHBondContact N-O 3.37Å; L311-K440 PolarHBondContact O-N 3.39Å; H426-K440 HydrophobicContact CB-CD 3.93Å; E429-K440 WeakPolarHBondContact OE2-CE 3.23Å; E429-K440 IonicContact OE2-NZ 2.63Å; E429-K440 PolarHBondContact OE2-NZ 3.49Å; K440-H442 PolarHBondContact O-CD2 3.43Å |
| 441 | W | 92.8 | Very high | 87.7 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 29% | 0.288 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 139.6 | 168.1 | -74.9 | 102.1 | 0 | 0 | 0 | 110 | E308 L310 K328 R330 | E308-W441 HydrophobicContact CB-CE3 3.92Å; E308-W441 HydrophobicContact CB-CZ3 4.29Å; L310-W441 HydrophobicContact CB-CD2 3.82Å; L310-W441 HydrophobicContact CB-CE3 3.68Å; L310-W441 HydrophobicContact CB-CH2 3.82Å; L310-W441 HydrophobicContact CB-CZ2 3.95Å; L310-W441 HydrophobicContact CB-CZ3 3.67Å; L310-W441 HydrophobicContact CD1-CD2 4.14Å; L310-W441 HydrophobicContact CD1-CG 4.12Å; L310-W441 HydrophobicContact CD2-CZ2 4.1Å; L310-W441 HydrophobicContact CG-CD2 4.46Å; L310-W441 HydrophobicContact CG-CZ2 4.49Å; K328-W441 HydrophobicContact CD-CH2 4.33Å; K328-W441 HydrophobicContact CG-CH2 3.94Å; K328-W441 HydrophobicContact CG-CZ2 4.46Å; R330-W441 HydrophobicContact CB-CH2 4.18Å; R330-W441 HydrophobicContact CB-CZ3 4.31Å; R330-W441 HydrophobicContact CG-CE3 4.33Å; R330-W441 HydrophobicContact CG-CH2 3.7Å; R330-W441 HydrophobicContact CG-CZ3 3.59Å |
| 442 | H | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.4 | 176.2 | -64 | -77.1 | 0 | 0 | 0 | 110.1 | E308 L309 L413 T422 H426 K440 | E308-H442 CarbonylContact C-O 3.49Å; E308-H442 WeakPolarHBondContact CA-O 3.35Å; L309-H442 PolarHBondContact N-O 3.48Å; L309-H442 PolarHBondContact O-N 3.49Å; L413-H442 HydrophobicContact CD1-CB 3.84Å; L413-H442 HydrophobicContact CD2-CB 3.46Å; L413-H442 VanDerWaalsContact CD2-CB 3.46Å; L413-H442 HydrophobicContact CG-CB 4.31Å; T422-H442 PolarHBondContact O-CE1 3.3Å; T422-H442 PolarHBondContact OG1-ND1 3.49Å; H426-H442 AromaticContact CG-CE1 3.99Å; H426-H442 AromaticContact CG-NE2 3.75Å; H426-H442 AromaticContact ND1-CE1 3.56Å; H426-H442 AromaticContact ND1-NE2 2.89Å; H426-H442 PolarHBondContact ND1-NE2 3.49Å; K440-H442 PolarHBondContact O-CD2 3.43Å |
| 443 | T | 88.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 79.9 Ų | 79.9 | 50% | 0.503 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 135.3 | 172.9 | -50.1 | 0 | 0 | 0 | 0 | 109.7 | G305 | G305-T443 VanDerWaalsContact CA-CG2 3.44Å |
| 444 | M | 87.3 | Confident | 86.8 | Confident | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 133.8 | -178.9 | -53.6 | -63.6 | -68 | 0 | 0 | 111.6 | G305 R306 G307 L309 L395 G411 R412 L413 | G305-M444 WeakPolarHBondContact CA-O 3.29Å; R306-M444 HydrophobicContact CB-CB 4.07Å; R306-M444 PolarHBondContact N-O 2.83Å; G307-M444 WeakPolarHBondContact O-CG 3.4Å; G307-M444 PolarHBondContact O-N 3.4Å; L309-M444 HydrophobicContact CB-SD 3.66Å; L309-M444 HydrophobicContact CD2-CE 4.43Å; L309-M444 HydrophobicContact CD2-SD 4.1Å; L395-M444 HydrophobicContact CB-CE 4.02Å; G411-M444 WeakPolarHBondContact O-CE 3.42Å; R412-M444 CarbonylContact O-C 3.48Å; R412-M444 VanDerWaalsContact O-CA 3.28Å; R412-M444 WeakPolarHBondContact O-CA 3.48Å; L413-M444 HydrophobicContact CB-CE 3.73Å; L413-M444 HydrophobicContact CB-SD 3.69Å; L413-M444 HydrophobicContact CD2-SD 4.1Å |
| 445 | S | 82.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 35% | 0.35 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -84.2 | 169.3 | 175.2 | 60 | 0 | 0 | 0 | 0 | 113.3 | R306 G411 R412 E447 | R306-S445 WeakPolarHBondContact CD-O 3.32Å; G411-S445 WeakPolarHBondContact CA-O 3.49Å; R412-S445 PolarHBondContact N-O 3.05Å; R412-S445 PolarHBondContact O-N 3.31Å; R412-S445 PolarHBondContact O-OG 3.38Å; R412-S445 VanDerWaalsContact O-OG 3.11Å; S445-E447 PolarHBondContact OG-O 3.47Å |
| 446 | E | 66.4 | Low | 86.2 | Confident | 144 Ų | 144 | 74.3 Ų | 74.3 | 67% | 0.673 | 37% | 0.368 | S | S | * | . | trans | -86.3 | -38.4 | 169.3 | 177 | 141.3 | -114.8 | 0 | 0 | 112.7 | R306 | R306-E446 VanDerWaalsContact CD-CA 3.49Å; R306-E446 IonicContact CZ-OE1 3.71Å; R306-E446 IonicContact NE-OE1 2.76Å; R306-E446 PolarHBondContact NE-OE1 2.88Å; R306-E446 IonicContact NH2-OE1 2.76Å; R306-E446 PolarHBondContact NH2-OE1 3.26Å | ||
| 447 | E | 51.9 | Low | 85.5 | Confident | 189 Ų | 189 | 69.3 Ų | 69.3 | 88% | 0.883 | 36% | 0.357 | S | S | * | . | trans | -81.3 | 0 | 177.7 | -64.7 | -172.9 | 157.7 | 0 | 0 | 114.3 | R412 S445 | R412-E447 WeakPolarHBondContact CB-O 3.45Å; R412-E447 WeakPolarHBondContact CD-O 3.42Å; R412-E447 VanDerWaalsContact CD-OXT 3.24Å; R412-E447 WeakPolarHBondContact CD-OXT 3.36Å; R412-E447 WeakPolarHBondContact CG-O 3.49Å; R412-E447 PolarHBondContact NH1-O 2.95Å; R412-E447 PolarHBondContact NH1-OXT 3.29Å; S445-E447 PolarHBondContact OG-O 3.47Å |
Retrieved 447 of 447 residues in 208 ms
(Link to these results)