| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.3 | Very low | 43.7 | Very low | 222 Ų | 222 | 108.5 Ų | 108.5 | 100% | 1.094 | 61% | 0.609 | S | S | * | * | 0 | -11.2 | 0 | -84.7 | -176.9 | -77.9 | 0 | 0 | 113.4 | S4 | M1-S4 PolarHBondContact O-OG 2.99Š| |||
| 2 | E | 38.9 | Very low | 43.8 | Very low | 170 Ų | 170 | 107.7 Ų | 107.7 | 79% | 0.794 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -19.2 | 177.3 | -70.2 | 170.5 | 148.3 | 0 | 0 | 114.6 | S4 | E2-S4 PolarHBondContact O-N 3.14Š|
| 3 | A | 39.6 | Very low | 44.3 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -71.9 | -8.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N7 | A3-N7 WeakPolarHBondContact O-CB 3.11Å; A3-N7 PolarHBondContact O-ND2 3.04Å |
| 4 | S | 52.6 | Low | 44.5 | Very low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -90.3 | -27.7 | 178.5 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | M1 E2 A8 | M1-S4 PolarHBondContact O-OG 2.99Å; E2-S4 PolarHBondContact O-N 3.14Å; S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 2.93Å |
| 5 | V | 45.1 | Very low | 44.7 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.9 | -40.8 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 111.3 | A8 A9 | V5-A8 PolarHBondContact O-N 3.5Å; V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.38Å |
| 6 | I | 42.4 | Very low | 44.9 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 55% | 0.554 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.7 | -46.3 | 174.8 | -64.7 | 173.7 | 0 | 0 | 0 | 109.8 | A8 A9 H10 | I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; I6-A9 PolarHBondContact O-N 2.91Å; I6-H10 PolarHBondContact O-CD2 3.03Å; I6-H10 PolarHBondContact O-N 2.74Å |
| 7 | N | 42.8 | Very low | 44.9 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 56% | 0.561 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.6 | -42 | 174.4 | -79.1 | -28 | 0 | 0 | 0 | 111.9 | A3 A9 H10 E11 | A3-N7 WeakPolarHBondContact O-CB 3.11Å; A3-N7 PolarHBondContact O-ND2 3.04Å; N7-A9 PolarHBondContact O-N 3.11Å; N7-H10 PolarHBondContact O-N 2.75Å; N7-E11 WeakPolarHBondContact O-CB 3.47Å; N7-E11 PolarHBondContact O-N 2.96Å |
| 8 | A | 44 | Very low | 44.7 | Very low | 43 Ų | 43 | 116.9 Ų | 116.9 | 36% | 0.355 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.4 | -35 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S4 V5 I6 E11 N12 | S4-A8 WeakPolarHBondContact O-CB 3.26Å; S4-A8 PolarHBondContact O-N 2.93Å; V5-A8 PolarHBondContact O-N 3.5Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.41Å; A8-E11 PolarHBondContact O-N 3.41Å; A8-N12 VanDerWaalsContact O-CB 3.3Å; A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 2.11Å |
| 9 | A | 44.5 | Very low | 44.7 | Very low | 59 Ų | 59 | 122.1 Ų | 122.1 | 49% | 0.488 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.5 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V5 I6 N7 E11 N12 K13 | V5-A9 WeakPolarHBondContact O-CB 3.34Å; V5-A9 PolarHBondContact O-N 3.38Å; I6-A9 PolarHBondContact O-N 2.91Å; N7-A9 PolarHBondContact O-N 3.11Å; A9-E11 VanDerWaalsContact C-N 3.32Å; A9-E11 PolarHBondContact O-N 3.26Å; A9-N12 PolarHBondContact O-N 3.32Å; A9-K13 WeakPolarHBondContact O-CB 3.38Å; A9-K13 PolarHBondContact O-N 3.45Å |
| 10 | H | 45.7 | Very low | 44.8 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 57% | 0.569 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.2 | -36.8 | 173.2 | -80.7 | -81.8 | 0 | 0 | 0 | 112.2 | I6 N7 R14 | I6-H10 PolarHBondContact O-CD2 3.03Å; I6-H10 PolarHBondContact O-N 2.74Å; N7-H10 PolarHBondContact O-N 2.75Å; H10-R14 WeakPolarHBondContact O-CB 3.2Å; H10-R14 PolarHBondContact O-N 2.83Å |
| 11 | E | 45.9 | Very low | 44.4 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -75.3 | -35.5 | 179.9 | -158 | 163.3 | -148 | 0 | 0 | 112.3 | N7 A8 A9 R14 K15 | N7-E11 WeakPolarHBondContact O-CB 3.47Å; N7-E11 PolarHBondContact O-N 2.96Å; A8-E11 PolarHBondContact O-N 3.41Å; A9-E11 VanDerWaalsContact C-N 3.32Å; A9-E11 PolarHBondContact O-N 3.26Å; E11-R14 WeakPolarHBondContact O-CB 3.14Å; E11-R14 PolarHBondContact O-N 3.24Å; E11-K15 WeakPolarHBondContact O-CB 3.09Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.82Å |
| 12 | N | 45.2 | Very low | 44.6 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 53% | 0.529 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -40.5 | 169.9 | -83.8 | -19 | 0 | 0 | 0 | 111.7 | A8 A9 R14 K15 E16 | A8-N12 VanDerWaalsContact O-CB 3.3Å; A8-N12 WeakPolarHBondContact O-CB 3.45Å; A8-N12 PolarHBondContact O-N 2.11Å; A9-N12 PolarHBondContact O-N 3.32Å; N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 3.31Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 VanDerWaalsContact O-N 3.17Å; N12-E16 WeakPolarHBondContact O-CB 3.46Å; N12-E16 PolarHBondContact O-N 3.41Å |
| 13 | K | 49.8 | Very low | 44.8 | Very low | 153 Ų | 153 | 118.5 Ų | 118.5 | 67% | 0.665 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.2 | -41.3 | 172.2 | -143.9 | 171.5 | -171.9 | 176.6 | 0 | 110.5 | A9 L17 | A9-K13 WeakPolarHBondContact O-CB 3.38Å; A9-K13 PolarHBondContact O-N 3.45Å; K13-L17 WeakPolarHBondContact O-CB 3.28Å; K13-L17 VanDerWaalsContact O-CD1 3.26Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å; K13-L17 VanDerWaalsContact O-CG 3.23Å; K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.5Å; K13-L17 VanDerWaalsContact O-N 3.1Å |
| 14 | R | 47.6 | Very low | 45.3 | Very low | 180 Ų | 180 | 116.3 Ų | 116.3 | 68% | 0.679 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.3 | -44.8 | 171.7 | -87.9 | -177.8 | 176.9 | 177.1 | 0.3 | 113.2 | H10 E11 N12 L17 Y18 | H10-R14 WeakPolarHBondContact O-CB 3.2Å; H10-R14 PolarHBondContact O-N 2.83Å; E11-R14 WeakPolarHBondContact O-CB 3.14Å; E11-R14 PolarHBondContact O-N 3.24Å; N12-R14 VanDerWaalsContact C-N 3.28Å; N12-R14 PolarHBondContact O-N 3.31Å; R14-L17 WeakPolarHBondContact O-CB 3.42Å; R14-L17 PolarHBondContact O-N 2.91Å; R14-Y18 WeakPolarHBondContact O-CD2 3.32Å; R14-Y18 PolarHBondContact O-N 2.92Å |
| 15 | K | 46.7 | Very low | 44.9 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 54% | 0.539 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | -179.7 | -75.6 | 172.7 | -177.4 | 170.4 | 0 | 112.6 | E11 N12 Y18 R19 | E11-K15 WeakPolarHBondContact O-CB 3.09Å; E11-K15 WeakPolarHBondContact O-CG 3.42Å; E11-K15 PolarHBondContact O-N 2.82Å; N12-K15 PolarHBondContact O-N 3.12Å; N12-K15 VanDerWaalsContact O-N 3.17Å; K15-Y18 PolarHBondContact O-N 2.85Å; K15-R19 PolarHBondContact O-N 3.07Å |
| 16 | E | 48.5 | Very low | 45 | Very low | 113 Ų | 113 | 113.3 Ų | 113.3 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | 172.9 | -150 | 85 | -150.2 | 0 | 0 | 111.2 | N12 R19 | N12-E16 WeakPolarHBondContact O-CB 3.46Å; N12-E16 PolarHBondContact O-N 3.41Å; E16-R19 PolarHBondContact O-N 3.11Å |
| 17 | L | 44.7 | Very low | 45.3 | Very low | 86 Ų | 86 | 108.1 Ų | 108.1 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.2 | -82.1 | 160.9 | 0 | 0 | 0 | 112.2 | K13 R14 R19 R20 | K13-L17 WeakPolarHBondContact O-CB 3.28Å; K13-L17 VanDerWaalsContact O-CD1 3.26Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å; K13-L17 VanDerWaalsContact O-CG 3.23Å; K13-L17 WeakPolarHBondContact O-CG 3.41Å; K13-L17 PolarHBondContact O-N 3.5Å; K13-L17 VanDerWaalsContact O-N 3.1Å; R14-L17 WeakPolarHBondContact O-CB 3.42Å; R14-L17 PolarHBondContact O-N 2.91Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 3.04Å; L17-R20 PolarHBondContact O-N 3.05Å |
| 18 | Y | 42 | Very low | 45.7 | Very low | 156 Ų | 156 | 103.8 Ų | 103.8 | 61% | 0.612 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.1 | -22.9 | 178 | -94.6 | -78.2 | 0 | 0 | 0 | 114.4 | R14 K15 R20 | R14-Y18 WeakPolarHBondContact O-CD2 3.32Å; R14-Y18 PolarHBondContact O-N 2.92Å; K15-Y18 PolarHBondContact O-N 2.85Å; Y18-R20 VanDerWaalsContact C-N 3.32Å |
| 19 | R | 43.4 | Very low | 45.9 | Very low | 215 Ų | 215 | 101.9 Ų | 101.9 | 81% | 0.811 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -74.7 | -19.7 | 176.8 | -83.2 | -178.4 | 168.6 | 177.8 | -3.3 | 113.2 | K15 E16 L17 K21 | K15-R19 PolarHBondContact O-N 3.07Å; E16-R19 PolarHBondContact O-N 3.11Å; L17-R19 VanDerWaalsContact C-N 3.31Å; L17-R19 PolarHBondContact O-N 3.04Å; R19-K21 PolarHBondContact O-N 3.35Å |
| 20 | R | 46.7 | Very low | 46 | Very low | 143 Ų | 143 | 101.3 Ų | 101.3 | 54% | 0.54 | 45% | 0.445 | S | S | . | . | trans | -92.6 | 61 | -176.3 | -65.1 | -175.2 | -177.7 | 176.4 | 6.1 | 112.1 | L17 Y18 K22 | L17-R20 PolarHBondContact O-N 3.05Å; Y18-R20 VanDerWaalsContact C-N 3.32Å; R20-K22 PolarHBondContact O-N 3.04Å | ||
| 21 | K | 36.8 | Very low | 45.9 | Very low | 150 Ų | 150 | 99.8 Ų | 99.8 | 65% | 0.652 | 46% | 0.455 | S | S | * | . | trans | -79.4 | 98.3 | 174.6 | -68.9 | -172.7 | 176.1 | -169.6 | 0 | 111.1 | R19 | R19-K21 PolarHBondContact O-N 3.35Š| ||
| 22 | K | 43.6 | Very low | 45.8 | Very low | 162 Ų | 162 | 100.7 Ų | 100.7 | 70% | 0.704 | 46% | 0.463 | S | S | * | . | trans | -131.3 | 123.1 | 156 | -81.8 | -172.4 | 177.7 | 179.8 | 0 | 108.7 | R20 I24 | R20-K22 PolarHBondContact O-N 3.04Å; K22-I24 PolarHBondContact O-N 3.13Å; K22-I24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | N | 43.7 | Very low | 45.8 | Very low | 107 Ų | 107 | 100 Ų | 100 | 57% | 0.572 | 46% | 0.459 | S | S | * | . | trans | -63.8 | 110.2 | -179 | -69.3 | -9.4 | 0 | 0 | 0 | 110.2 | Y39 | N23-Y39 HydrophobicContact CB-CD1 3.8Å; N23-Y39 HydrophobicContact CB-CE1 4.36Å | ||
| 24 | I | 50.1 | Low | 45.1 | Very low | 26 Ų | 26 | 100.9 Ų | 100.9 | 13% | 0.133 | 46% | 0.458 | C | S | . | . | trans | -77.6 | 121.3 | 171.5 | -57.2 | 168.1 | 0 | 0 | 0 | 107.2 | K22 L26 Y39 M45 | K22-I24 PolarHBondContact O-N 3.13Å; K22-I24 VanDerWaalsContact O-N 3.12Å; I24-L26 HydrophobicContact CG2-CD2 4.19Å; I24-L26 HydrophobicContact CG2-CG 4.03Å; I24-L26 PolarHBondContact O-N 3.2Å; I24-Y39 WeakPolarHBondContact O-CA 3.23Å; I24-M45 HydrophobicContact CD1-CE 4.17Å; I24-M45 HydrophobicContact CG2-CE 4.17Å | ||
| 25 | R | 44.8 | Very low | 44.9 | Very low | 116 Ų | 116 | 94.7 Ų | 94.7 | 44% | 0.438 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 104.4 | 175.1 | -171.2 | 179.4 | -176.7 | 176.9 | 1.2 | 108.9 | F37 Y39 L275 | R25-F37 HydrophobicContact CG-CD1 3.78Å; R25-F37 HydrophobicContact CG-CE1 4.35Å; R25-Y39 HydrophobicContact CB-CD1 4.46Å; R25-Y39 HydrophobicContact CB-CE1 3.91Å; R25-Y39 HydrophobicContact CG-CE1 4.03Å; R25-L275 HydrophobicContact CG-CD1 4.2Å; R25-L275 VanDerWaalsContact O-CD1 3.28Å; R25-L275 WeakPolarHBondContact O-CD1 3.38Å |
| 26 | L | 47.2 | Very low | 44.4 | Very low | 1 Ų | 1 | 94.8 Ų | 94.8 | 1% | 0.005 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.7 | 173.8 | -67.1 | 165.5 | 0 | 0 | 0 | 110.3 | I24 F37 V38 L43 I276 I278 | I24-L26 HydrophobicContact CG2-CD2 4.19Å; I24-L26 HydrophobicContact CG2-CG 4.03Å; I24-L26 PolarHBondContact O-N 3.2Å; L26-F37 WeakPolarHBondContact O-CA 3.48Å; L26-V38 PolarHBondContact N-O 3.37Å; L26-V38 VanDerWaalsContact N-O 3.17Å; L26-V38 PolarHBondContact O-N 2.89Å; L26-V38 VanDerWaalsContact O-N 3.11Å; L26-L43 HydrophobicContact CD1-CD1 3.21Å; L26-I276 HydrophobicContact CD2-CB 4.01Å; L26-I276 HydrophobicContact CD2-CG2 3.81Å; L26-I278 HydrophobicContact CB-CD1 4.3Å; L26-I278 HydrophobicContact CD1-CD1 4.08Å; L26-I278 HydrophobicContact CD2-CD1 4.43Å |
| 27 | G | 47.3 | Very low | 44 | Very low | 0 Ų | 0 | 93 Ų | 93 | 0% | 0 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 103.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | V29 I276 L277 I278 | G27-V29 PolarHBondContact O-N 3.27Å; G27-I276 PolarHBondContact N-O 3.26Å; G27-L277 WeakPolarHBondContact O-CA 3.14Å; G27-I278 PolarHBondContact O-N 3.35Å; G27-I278 VanDerWaalsContact O-N 3.07Å |
| 28 | I | 50.6 | Low | 43.8 | Very low | 14 Ų | 14 | 91 Ų | 91 | 7% | 0.072 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.9 | 171.9 | -57.5 | -174.6 | 0 | 0 | 0 | 108.6 | V35 F36 V38 I278 A280 L283 | I28-V35 WeakPolarHBondContact O-CA 3.49Å; I28-F36 HydrophobicContact CB-CB 4.4Å; I28-F36 WeakPolarHBondContact CB-O 3.43Å; I28-F36 PolarHBondContact N-O 3.28Å; I28-F36 PolarHBondContact O-N 3.22Å; I28-F36 VanDerWaalsContact O-N 3.11Å; I28-V38 HydrophobicContact CD1-CB 4.04Å; I28-V38 HydrophobicContact CD1-CG2 3.33Å; I28-V38 HydrophobicContact CG1-CG2 4.09Å; I28-I278 CarbonylContact C-O 3.56Å; I28-I278 VanDerWaalsContact CA-O 3.28Å; I28-I278 WeakPolarHBondContact CA-O 3.34Å; I28-I278 HydrophobicContact CG1-CD1 4.31Å; I28-I278 HydrophobicContact CG1-CG1 3.99Å; I28-A280 HydrophobicContact CG2-CB 4.11Å; I28-L283 HydrophobicContact CD1-CD2 3.89Å |
| 29 | V | 48.8 | Very low | 43.8 | Very low | 3 Ų | 3 | 89.8 Ų | 89.8 | 2% | 0.018 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 113.9 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | G27 Y254 L266 L277 I278 | G27-V29 PolarHBondContact O-N 3.27Å; V29-Y254 HydrophobicContact CG1-CD1 4.05Å; V29-L266 HydrophobicContact CB-CD1 3.9Å; V29-L277 HydrophobicContact CG2-CB 4.45Å; V29-L277 HydrophobicContact CG2-CD2 4.38Å; V29-I278 PolarHBondContact N-O 2.88Å |
| 30 | S | 46 | Very low | 43.8 | Very low | 46 Ų | 46 | 81.5 Ų | 81.5 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | trans | -79.5 | 155.5 | 171.8 | -178.7 | 0 | 0 | 0 | 0 | 110.9 | N32 N33 R34 | S30-N32 PolarHBondContact O-N 2.75Å; S30-N33 PolarHBondContact O-N 2.71Å; S30-R34 VanDerWaalsContact CB-O 3.26Å; S30-R34 WeakPolarHBondContact CB-O 3.36Å; S30-R34 PolarHBondContact N-O 2.71Å | ||
| 31 | A | 43.7 | Very low | 43.7 | Very low | 92 Ų | 92 | 81.1 Ų | 81.1 | 76% | 0.76 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N33 | A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 3.36Å |
| 32 | N | 45.3 | Very low | 44.2 | Very low | 128 Ų | 128 | 77.9 Ų | 77.9 | 68% | 0.684 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 17.8 | 176.8 | -65.6 | -11.4 | 0 | 0 | 0 | 113.7 | S30 R34 | S30-N32 PolarHBondContact O-N 2.75Å; N32-R34 PolarHBondContact O-N 3.34Å |
| 33 | N | 44.4 | Very low | 44.6 | Very low | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | S | Bend | trans | 53.6 | 18.9 | -171.7 | -73.9 | -26.1 | 0 | 0 | 0 | 114.4 | S30 A31 | S30-N33 PolarHBondContact O-N 2.71Å; A31-N33 VanDerWaalsContact C-N 3.29Å; A31-N33 PolarHBondContact O-N 3.36Å |
| 34 | R | 36.2 | Very low | 45.4 | Very low | 172 Ų | 172 | 69.4 Ų | 69.4 | 65% | 0.649 | 34% | 0.344 | S | S | * | . | trans | -80 | 135.4 | 170 | -71 | -171.7 | -179 | 175.5 | 1.1 | 109.1 | S30 N32 F36 | S30-R34 VanDerWaalsContact CB-O 3.26Å; S30-R34 WeakPolarHBondContact CB-O 3.36Å; S30-R34 PolarHBondContact N-O 2.71Å; N32-R34 PolarHBondContact O-N 3.34Å; R34-F36 HydrophobicContact CB-CE2 4.22Å | ||
| 35 | V | 42.9 | Very low | 46.6 | Very low | 50 Ų | 50 | 68.7 Ų | 68.7 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.2 | -170.1 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | I28 F37 P257 | I28-V35 WeakPolarHBondContact O-CA 3.49Å; V35-F37 HydrophobicContact CG1-CD2 4.38Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 4.15Å; V35-P257 HydrophobicContact CB-CB 3.91Å; V35-P257 HydrophobicContact CG1-CB 3.23Å; V35-P257 HydrophobicContact CG1-CG 3.63Å; V35-P257 HydrophobicContact CG2-CB 3.56Å; V35-P257 HydrophobicContact CG2-CG 4.48Å |
| 36 | F | 36.4 | Very low | 48.2 | Very low | 126 Ų | 126 | 66.5 Ų | 66.5 | 55% | 0.553 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.3 | 169.3 | -63 | -87.5 | 0 | 0 | 0 | 108.4 | I28 R34 | I28-F36 HydrophobicContact CB-CB 4.4Å; I28-F36 WeakPolarHBondContact CB-O 3.43Å; I28-F36 PolarHBondContact N-O 3.28Å; I28-F36 PolarHBondContact O-N 3.22Å; I28-F36 VanDerWaalsContact O-N 3.11Å; R34-F36 HydrophobicContact CB-CE2 4.22Å |
| 37 | F | 40.1 | Very low | 50.1 | Low | 76 Ų | 76 | 67.7 Ų | 67.7 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115 | 168.6 | -68.6 | -78.4 | 0 | 0 | 0 | 107.6 | R25 L26 V35 P257 L275 | R25-F37 HydrophobicContact CG-CD1 3.78Å; R25-F37 HydrophobicContact CG-CE1 4.35Å; L26-F37 WeakPolarHBondContact O-CA 3.48Å; V35-F37 HydrophobicContact CG1-CD2 4.38Å; V35-F37 HydrophobicContact CG1-CE2 3.99Å; V35-F37 HydrophobicContact CG1-CZ 4.15Å; F37-P257 HydrophobicContact CE1-CG 4.1Å; F37-P257 HydrophobicContact CZ-CB 3.99Å; F37-P257 HydrophobicContact CZ-CG 3.93Å; F37-L275 HydrophobicContact CE1-CD2 3.88Å |
| 38 | V | 39.9 | Very low | 51.8 | Low | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.267 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123 | 173.4 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L26 I28 N40 | L26-V38 PolarHBondContact N-O 3.37Å; L26-V38 VanDerWaalsContact N-O 3.17Å; L26-V38 PolarHBondContact O-N 2.89Å; L26-V38 VanDerWaalsContact O-N 3.11Å; I28-V38 HydrophobicContact CD1-CB 4.04Å; I28-V38 HydrophobicContact CD1-CG2 3.33Å; I28-V38 HydrophobicContact CG1-CG2 4.09Å; V38-N40 HydrophobicContact CG1-CB 4.13Å |
| 39 | Y | 42.6 | Very low | 53.7 | Low | 129 Ų | 129 | 67.2 Ų | 67.2 | 51% | 0.506 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 99.9 | 164.4 | -60.7 | -80.2 | 0 | 0 | 0 | 105.8 | N23 I24 R25 | N23-Y39 HydrophobicContact CB-CD1 3.8Å; N23-Y39 HydrophobicContact CB-CE1 4.36Å; I24-Y39 WeakPolarHBondContact O-CA 3.23Å; R25-Y39 HydrophobicContact CB-CD1 4.46Å; R25-Y39 HydrophobicContact CB-CE1 3.91Å; R25-Y39 HydrophobicContact CG-CE1 4.03Å |
| 40 | N | 42.9 | Very low | 55.5 | Low | 42 Ų | 42 | 67.2 Ų | 67.2 | 23% | 0.225 | 34% | 0.335 | C | S | . | . | trans | -104 | 115.3 | 176.2 | -159.2 | -21.8 | 0 | 0 | 0 | 108.5 | V38 L42 L43 | V38-N40 HydrophobicContact CG1-CB 4.13Å; N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 PolarHBondContact OD1-N 3.28Å; N40-L43 HydrophobicContact CB-CB 4.49Å; N40-L43 HydrophobicContact CB-CD1 3.42Å; N40-L43 VanDerWaalsContact CB-CD1 3.42Å; N40-L43 HydrophobicContact CB-CG 3.81Å | ||
| 41 | E | 43.5 | Very low | 57.5 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 63% | 0.626 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.2 | -178.6 | -61.4 | -172.2 | 164 | 0 | 0 | 112.7 | ||
| 42 | L | 48.6 | Very low | 59.6 | Low | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.435 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -3.2 | -168.7 | -67.1 | 166.8 | 0 | 0 | 0 | 114.9 | N40 Q44 F291 | N40-L42 PolarHBondContact O-N 3.41Å; N40-L42 PolarHBondContact OD1-N 3.28Å; L42-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact O-N 3.16Å; L42-F291 HydrophobicContact CD1-CZ 3.98Å |
| 43 | L | 52.1 | Low | 61.6 | Low | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -80.6 | 101.5 | 179.1 | -69.6 | 165.5 | 0 | 0 | 0 | 110.6 | L26 N40 M45 I100 L283 S286 L290 | L26-L43 HydrophobicContact CD1-CD1 3.21Å; N40-L43 HydrophobicContact CB-CB 4.49Å; N40-L43 HydrophobicContact CB-CD1 3.42Å; N40-L43 VanDerWaalsContact CB-CD1 3.42Å; N40-L43 HydrophobicContact CB-CG 3.81Å; L43-M45 PolarHBondContact O-N 3.17Å; L43-I100 HydrophobicContact CB-CD1 4.12Å; L43-I100 HydrophobicContact CD2-CD1 4.34Å; L43-L283 HydrophobicContact CD1-CD1 3.28Å; L43-L283 HydrophobicContact CD2-CD1 3.41Å; L43-L283 VanDerWaalsContact CD2-CD1 3.41Å; L43-L283 HydrophobicContact CG-CD1 3.88Å; L43-S286 WeakPolarHBondContact CD2-OG 3.46Å; L43-L290 HydrophobicContact CD2-CD1 3.91Å | ||
| 44 | Q | 60.4 | Low | 63.7 | Low | 82 Ų | 82 | 51.1 Ų | 51.1 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | trans | -79.4 | 105.9 | 171.9 | -66.6 | 173.2 | 10.4 | 0 | 0 | 109 | L42 I175 | L42-Q44 PolarHBondContact O-N 3.47Å; L42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-I175 HydrophobicContact CB-CD1 3.92Å; Q44-I175 HydrophobicContact CB-CG1 4.42Å; Q44-I175 HydrophobicContact CG-CD1 4.26Å; Q44-I175 VanDerWaalsContact OE1-CD1 3.23Å | ||
| 45 | M | 74.5 | Confident | 66.3 | Low | 11 Ų | 11 | 43 Ų | 43 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | trans | -73.7 | 128.7 | 170 | -69.6 | -173.1 | -68.6 | 0 | 0 | 109.3 | I24 L43 I100 H173 C174 I175 I276 | I24-M45 HydrophobicContact CD1-CE 4.17Å; I24-M45 HydrophobicContact CG2-CE 4.17Å; L43-M45 PolarHBondContact O-N 3.17Å; M45-I100 HydrophobicContact CG-CD1 3.67Å; M45-I100 HydrophobicContact CG-CG1 4.05Å; M45-H173 WeakPolarHBondContact CE-CD2 3.33Å; M45-H173 WeakPolarHBondContact CE-NE2 3.34Å; M45-C174 HydrophobicContact CB-CB 4.44Å; M45-C174 CarbonylContact O-C 3.58Å; M45-C174 WeakPolarHBondContact O-CA 3.33Å; M45-C174 WeakPolarHBondContact O-CB 3.14Å; M45-I175 PolarHBondContact O-N 3.45Å; M45-I276 HydrophobicContact CE-CD1 3.86Å; M45-I276 HydrophobicContact SD-CD1 3.39Å; M45-I276 WeakPolarHBondContact SD-CD1 3.13Å | ||
| 46 | R | 79.7 | Confident | 68.5 | Low | 70 Ų | 70 | 43 Ų | 43 | 26% | 0.264 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.7 | 178.6 | -57.2 | 169.9 | 63.2 | -171.5 | 3.1 | 109.4 | V48 F94 S101 Q102 I175 E177 | R46-V48 HydrophobicContact CB-CG2 4.31Å; R46-F94 HydrophobicContact CB-CZ 4.37Å; R46-S101 WeakPolarHBondContact CB-OG 3.1Å; R46-S101 PolarHBondContact N-OG 3.28Å; R46-S101 CarbonylContact O-C 3.48Å; R46-S101 WeakPolarHBondContact O-CA 3.25Å; R46-S101 WeakPolarHBondContact O-CB 3.32Å; R46-S101 PolarHBondContact O-OG 2.79Å; R46-Q102 PolarHBondContact O-N 3.49Å; R46-I175 HydrophobicContact CG-CB 4.43Å; R46-E177 IonicContact CZ-OE1 2.82Å; R46-E177 IonicContact CZ-OE2 2.52Å; R46-E177 IonicContact NE-OE1 3.96Å; R46-E177 IonicContact NE-OE2 3.2Å; R46-E177 PolarHBondContact NE-OE2 3.12Å; R46-E177 IonicContact NH2-OE1 3.71Å; R46-E177 IonicContact NH2-OE2 2.69Å; R46-E177 PolarHBondContact NH2-OE2 2.93Å |
| 47 | Q | 86.4 | Confident | 70.9 | Confident | 25 Ų | 25 | 38.1 Ų | 38.1 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 110.7 | 167.3 | -69.7 | -163 | -9.4 | 0 | 0 | 108 | F119 L167 T170 C174 I175 E177 | Q47-F119 HydrophobicContact CB-CE1 4.21Å; Q47-F119 HydrophobicContact CB-CZ 4.47Å; Q47-L167 HydrophobicContact CB-CD2 3.81Å; Q47-T170 HydrophobicContact CB-CG2 4.49Å; Q47-T170 HydrophobicContact CG-CG2 4.05Å; Q47-T170 VanDerWaalsContact OE1-CB 3.3Å; Q47-T170 PolarHBondContact OE1-OG1 3Å; Q47-C174 HydrophobicContact CG-CB 4.48Å; Q47-I175 PolarHBondContact N-O 3.29Å; Q47-E177 PolarHBondContact O-N 2.81Å |
| 48 | V | 83.8 | Confident | 73 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | -174.7 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | R46 L50 F94 Q102 V103 C104 E177 | R46-V48 HydrophobicContact CB-CG2 4.31Å; V48-L50 HydrophobicContact CG1-CD2 3.92Å; V48-L50 HydrophobicContact CG1-CG 4.4Å; V48-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CG2-CE1 4.43Å; V48-F94 HydrophobicContact CG2-CE2 3.73Å; V48-F94 HydrophobicContact CG2-CZ 3.49Å; V48-F94 VanDerWaalsContact CG2-CZ 3.49Å; V48-Q102 PolarHBondContact N-O 3.34Å; V48-V103 HydrophobicContact CB-CG2 4.46Å; V48-V103 VanDerWaalsContact O-CA 3.29Å; V48-V103 WeakPolarHBondContact O-CA 3.4Å; V48-C104 PolarHBondContact O-N 3.31Å; V48-E177 CarbonylContact C-O 3.59Å; V48-E177 WeakPolarHBondContact CA-O 2.89Å; V48-E177 HydrophobicContact CG2-CB 4.27Å; V48-E177 WeakPolarHBondContact CG2-OE2 3.18Å |
| 49 | C | 89 | Confident | 75.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.7 | 168.4 | -162.6 | 0 | 0 | 0 | 0 | 108.8 | C104 L106 F119 T163 L167 E177 V178 L179 | C49-C104 CarbonylContact C-O 3.51Å; C49-C104 WeakPolarHBondContact CA-O 3.33Å; C49-L106 WeakPolarHBondContact SG-CD1 3.37Å; C49-F119 HydrophobicContact CB-CZ 4.43Å; C49-T163 HydrophobicContact CB-CG2 3.52Å; C49-L167 HydrophobicContact CB-CD1 4.45Å; C49-E177 PolarHBondContact N-O 2.89Å; C49-V178 HydrophobicContact CB-CG1 4.42Å; C49-V178 CarbonylContact O-C 3.59Å; C49-V178 WeakPolarHBondContact O-CA 3.43Å; C49-L179 PolarHBondContact O-N 3.41Å |
| 50 | L | 86.4 | Confident | 76.9 | Confident | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.9 | 173.5 | -63.9 | -179.1 | 0 | 0 | 0 | 108.5 | V48 L87 F90 V91 V103 C104 L105 L106 L179 | V48-L50 HydrophobicContact CG1-CD2 3.92Å; V48-L50 HydrophobicContact CG1-CG 4.4Å; L50-L87 HydrophobicContact CD1-CD1 4.14Å; L50-L87 HydrophobicContact CD1-CD2 4.28Å; L50-L87 HydrophobicContact CD1-CG 4.22Å; L50-F90 HydrophobicContact CD1-CD1 4.31Å; L50-F90 HydrophobicContact CD1-CE1 4.15Å; L50-F90 HydrophobicContact CD2-CE1 3.85Å; L50-V91 HydrophobicContact CD1-CG2 4.13Å; L50-V103 HydrophobicContact CD1-CG1 3.47Å; L50-V103 VanDerWaalsContact CD1-CG1 3.47Å; L50-V103 HydrophobicContact CG-CG1 3.7Å; L50-C104 PolarHBondContact N-O 2.72Å; L50-L105 HydrophobicContact CB-CD1 3.76Å; L50-L105 CarbonylContact O-C 3.09Å; L50-L105 WeakPolarHBondContact O-CA 3.48Å; L50-L106 PolarHBondContact O-N 2.52Å; L50-L179 WeakPolarHBondContact CA-O 3.27Å; L50-L179 HydrophobicContact CD2-CB 3.76Å; L50-L179 HydrophobicContact CD2-CD2 3.71Å; L50-L179 HydrophobicContact CD2-CG 4.14Å |
| 51 | V | 87.9 | Confident | 78.6 | Confident | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.4 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 108 | L106 V108 V178 L179 V180 V181 | V51-L106 HydrophobicContact CG2-CB 4.3Å; V51-L106 HydrophobicContact CG2-CD1 4.17Å; V51-V108 HydrophobicContact CG1-CG2 3.5Å; V51-V178 HydrophobicContact CG2-CG1 3.8Å; V51-L179 PolarHBondContact N-O 2.84Å; V51-V180 HydrophobicContact CB-CB 4.25Å; V51-V180 HydrophobicContact CB-CG1 3.93Å; V51-V180 HydrophobicContact CB-CG2 4.13Å; V51-V180 HydrophobicContact CG1-CG1 3.88Å; V51-V180 HydrophobicContact CG2-CG2 4.39Å; V51-V180 CarbonylContact O-C 3.55Å; V51-V180 WeakPolarHBondContact O-CA 3.01Å; V51-V181 PolarHBondContact O-N 3.45Å |
| 52 | L | 87.7 | Confident | 79.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.3 | 178.8 | 180 | 64.8 | 0 | 0 | 0 | 110.1 | M54 M58 L68 T71 L72 L106 V108 V181 | L52-M54 HydrophobicContact CD2-CG 4.15Å; L52-M54 HydrophobicContact CG-CG 4.11Å; L52-M54 PolarHBondContact O-N 3.23Å; L52-M58 HydrophobicContact CD1-CE 4.14Å; L52-L68 HydrophobicContact CD2-CD1 4.12Å; L52-T71 HydrophobicContact CD1-CG2 3.38Å; L52-L72 HydrophobicContact CD2-CD2 3.45Å; L52-L72 VanDerWaalsContact CD2-CD2 3.45Å; L52-L72 HydrophobicContact CD2-CG 4.18Å; L52-L106 PolarHBondContact N-O 2.87Å; L52-V108 PolarHBondContact O-N 3.4Å; L52-V181 HydrophobicContact CD1-CB 4.32Å |
| 53 | D | 88.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 125 | 164.7 | -176.6 | 4.8 | 0 | 0 | 0 | 109.8 | S55 M58 F154 V181 V182 G183 S184 | D53-S55 WeakPolarHBondContact OD1-CB 3.1Å; D53-S55 PolarHBondContact OD1-N 3.42Å; D53-S55 PolarHBondContact OD1-OG 2.92Å; D53-S55 PolarHBondContact OD2-OG 2.7Å; D53-M58 HydrophobicContact CB-CG 4.09Å; D53-M58 HydrophobicContact CB-SD 4.33Å; D53-M58 VanDerWaalsContact O-CE 3.3Å; D53-M58 WeakPolarHBondContact O-CE 3.48Å; D53-M58 VanDerWaalsContact O-CG 3.3Å; D53-M58 WeakPolarHBondContact O-CG 3.39Å; D53-F154 HydrophobicContact CB-CD2 3.81Å; D53-F154 HydrophobicContact CB-CE2 4.07Å; D53-V181 VanDerWaalsContact CB-O 3.26Å; D53-V181 WeakPolarHBondContact CB-O 3.35Å; D53-V181 PolarHBondContact N-O 3.14Å; D53-V182 HydrophobicContact CB-CG1 4.44Å; D53-G183 PolarHBondContact OD2-N 3.07Å; D53-S184 WeakPolarHBondContact OD2-CB 3.3Å; D53-S184 PolarHBondContact OD2-N 3Å |
| 54 | M | 87.7 | Confident | 80.9 | Confident | 10 Ų | 10 | 36.9 Ų | 36.9 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | trans | -125.8 | 26.5 | 175 | -57.2 | -176.5 | 70 | 0 | 0 | 110.7 | L52 L68 V108 K109 L116 H145 G150 S151 | L52-M54 HydrophobicContact CD2-CG 4.15Å; L52-M54 HydrophobicContact CG-CG 4.11Å; L52-M54 PolarHBondContact O-N 3.23Å; M54-L68 HydrophobicContact CG-CD1 4.39Å; M54-V108 CarbonylContact C-O 3.44Å; M54-V108 WeakPolarHBondContact CA-O 3.46Å; M54-V108 WeakPolarHBondContact CB-O 3.44Å; M54-V108 PolarHBondContact N-O 3.07Å; M54-K109 HydrophobicContact CB-CB 4.14Å; M54-L116 HydrophobicContact SD-CD1 4.32Å; M54-H145 HydrophobicContact CE-CB 3.84Å; M54-G150 CarbonylContact O-C 3.56Å; M54-G150 WeakPolarHBondContact O-CA 3.46Å; M54-S151 PolarHBondContact O-N 3.15Å; M54-S151 VanDerWaalsContact O-N 3.11Å | ||
| 55 | S | 90.7 | Very high | 81.3 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -71.1 | 172.7 | 174.7 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | D53 A57 M58 G150 S151 G152 | D53-S55 WeakPolarHBondContact OD1-CB 3.1Å; D53-S55 PolarHBondContact OD1-N 3.42Å; D53-S55 PolarHBondContact OD1-OG 2.92Å; D53-S55 PolarHBondContact OD2-OG 2.7Å; S55-A57 PolarHBondContact O-N 3.44Å; S55-M58 WeakPolarHBondContact O-CB 3.45Å; S55-M58 PolarHBondContact O-N 3.18Å; S55-M58 VanDerWaalsContact O-N 3.09Å; S55-G150 WeakPolarHBondContact O-CA 3.44Å; S55-S151 WeakPolarHBondContact CA-O 3.35Å; S55-G152 WeakPolarHBondContact CB-O 3.34Å |
| 56 | A | 90.5 | Very high | 81.4 | Confident | 49 Ų | 49 | 36 Ų | 36 | 41% | 0.405 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -58.3 | -28.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M58 N59 G152 | A56-M58 PolarHBondContact O-N 3.16Å; A56-M58 VanDerWaalsContact O-N 3.16Å; A56-N59 WeakPolarHBondContact O-CB 3.01Å; A56-N59 PolarHBondContact O-N 3.48Å; A56-N59 VanDerWaalsContact O-N 3.08Å; A56-G152 PolarHBondContact N-O 3.39Å |
| 57 | A | 86.4 | Confident | 81.2 | Confident | 24 Ų | 24 | 33.7 Ų | 33.7 | 20% | 0.198 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63.9 | -18.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S55 N59 D60 R67 | S55-A57 PolarHBondContact O-N 3.44Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-D60 WeakPolarHBondContact O-CB 3.1Å; A57-D60 PolarHBondContact O-N 3.46Å; A57-R67 PolarHBondContact O-NH1 3.2Å |
| 58 | M | 84 | Confident | 80.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -82.9 | -6.4 | 178.1 | -68 | -72.9 | -75.7 | 0 | 0 | 113.2 | L52 D53 S55 A56 D60 R67 L68 L212 | L52-M58 HydrophobicContact CD1-CE 4.14Å; D53-M58 HydrophobicContact CB-CG 4.09Å; D53-M58 HydrophobicContact CB-SD 4.33Å; D53-M58 VanDerWaalsContact O-CE 3.3Å; D53-M58 WeakPolarHBondContact O-CE 3.48Å; D53-M58 VanDerWaalsContact O-CG 3.3Å; D53-M58 WeakPolarHBondContact O-CG 3.39Å; S55-M58 WeakPolarHBondContact O-CB 3.45Å; S55-M58 PolarHBondContact O-N 3.18Å; S55-M58 VanDerWaalsContact O-N 3.09Å; A56-M58 PolarHBondContact O-N 3.16Å; A56-M58 VanDerWaalsContact O-N 3.16Å; M58-D60 VanDerWaalsContact C-N 3.32Å; M58-R67 HydrophobicContact CE-CB 4.34Å; M58-R67 PolarHBondContact O-N 3.17Å; M58-R67 HydrophobicContact SD-CB 3.88Å; M58-L68 HydrophobicContact CB-CB 4.02Å; M58-L68 HydrophobicContact CE-CB 4.43Å; M58-L68 HydrophobicContact CE-CD1 4.15Å; M58-L68 WeakPolarHBondContact O-CB 3.13Å; M58-L68 PolarHBondContact O-N 2.83Å; M58-L212 HydrophobicContact CE-CD1 4.1Å; M58-L212 HydrophobicContact SD-CD1 3.81Å |
| 59 | N | 84.1 | Confident | 80.3 | Confident | 54 Ų | 54 | 34.7 Ų | 34.7 | 29% | 0.289 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -84.6 | -7.8 | 171.1 | -61.9 | -29.3 | 0 | 0 | 0 | 112.9 | A56 A57 T66 G150 | A56-N59 WeakPolarHBondContact O-CB 3.01Å; A56-N59 PolarHBondContact O-N 3.48Å; A56-N59 VanDerWaalsContact O-N 3.08Å; A57-N59 VanDerWaalsContact C-N 3.28Å; N59-T66 WeakPolarHBondContact O-CG2 3.34Å; N59-G150 PolarHBondContact ND2-O 3.35Å; N59-G150 PolarHBondContact OD1-N 3.35Å |
| 60 | D | 79.9 | Confident | 79.4 | Confident | 77 Ų | 77 | 34.7 Ų | 34.7 | 41% | 0.412 | 18% | 0.18 | S | C | . | . | trans | -57 | 145 | 174.6 | -74.2 | -13.6 | 0 | 0 | 0 | 110.6 | A57 M58 T66 R67 | A57-D60 WeakPolarHBondContact O-CB 3.1Å; A57-D60 PolarHBondContact O-N 3.46Å; M58-D60 VanDerWaalsContact C-N 3.32Å; D60-T66 CarbonylContact O-C 3.52Å; D60-T66 VanDerWaalsContact O-CA 3.26Å; D60-T66 WeakPolarHBondContact O-CA 3.25Å; D60-R67 HydrophobicContact CB-CG 4.38Å; D60-R67 PolarHBondContact O-N 3.28Å; D60-R67 IonicContact OD2-CZ 2.86Å; D60-R67 IonicContact OD2-NH1 3.58Å; D60-R67 PolarHBondContact OD2-NH1 2.89Å; D60-R67 IonicContact OD2-NH2 2.7Å | ||
| 61 | R | 78.1 | Confident | 78.6 | Confident | 185 Ų | 185 | 34.5 Ų | 34.5 | 70% | 0.698 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -107.8 | 22.7 | -174 | -51.4 | -169.9 | -180 | 172.7 | -1.4 | 113.2 | Q64 P65 T66 | R61-Q64 PolarHBondContact O-NE2 3.4Å; R61-P65 VanDerWaalsContact CG-O 3.31Å; R61-P65 WeakPolarHBondContact CG-O 3.41Å; R61-T66 HydrophobicContact CG-CG2 4.36Å |
| 62 | D | 69 | Low | 77.7 | Confident | 75 Ų | 75 | 34.4 Ų | 34.4 | 40% | 0.401 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -62.1 | -36.9 | 168.6 | 62.8 | -25.8 | 0 | 0 | 0 | 110.6 | R67 | D62-R67 VanDerWaalsContact CG-NH2 3.33Å; D62-R67 WeakPolarHBondContact OD1-CD 3.38Å; D62-R67 WeakPolarHBondContact OD1-CG 3.45Å; D62-R67 IonicContact OD1-CZ 3.54Å; D62-R67 IonicContact OD1-NE 3.41Å; D62-R67 PolarHBondContact OD1-NE 3.28Å; D62-R67 IonicContact OD1-NH2 3.86Å; D62-R67 IonicContact OD2-CZ 2.71Å; D62-R67 IonicContact OD2-NE 2.77Å; D62-R67 PolarHBondContact OD2-NE 3.22Å; D62-R67 IonicContact OD2-NH2 3.06Å; D62-R67 PolarHBondContact OD2-NH2 2.88Å |
| 63 | L | 64.5 | Low | 76.4 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -97.6 | 126.4 | 161.6 | -46.2 | -179.4 | 0 | 0 | 0 | 109.7 | P65 T66 R67 C70 I82 L212 | L63-P65 CarbonylContact O-C 3.24Å; L63-P65 VanDerWaalsContact O-C 3.24Å; L63-T66 CarbonylContact O-C 3.22Å; L63-T66 WeakPolarHBondContact O-CA 3.47Å; L63-T66 PolarHBondContact O-N 3.04Å; L63-T66 VanDerWaalsContact O-N 3.1Å; L63-R67 HydrophobicContact CB-CG 4.47Å; L63-R67 HydrophobicContact CD1-CG 4.26Å; L63-R67 HydrophobicContact CG-CG 4.21Å; L63-C70 HydrophobicContact CB-CB 3.81Å; L63-C70 VanDerWaalsContact CB-SG 3.51Å; L63-C70 HydrophobicContact CD1-CB 3.99Å; L63-I82 HydrophobicContact CB-CG2 4.08Å; L63-I82 HydrophobicContact CD2-CG2 3.32Å; L63-I82 HydrophobicContact CG-CG2 4.27Å; L63-L212 HydrophobicContact CD1-CD1 4.4Å; L63-L212 HydrophobicContact CD1-CD2 4.26Å |
| 64 | Q | 60 | Low | 74.5 | Confident | 91 Ų | 91 | 37 Ų | 37 | 43% | 0.425 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -90.7 | 130 | -176.3 | -63.7 | -77.3 | -37.9 | 0 | 0 | 110.9 | R61 C70 I82 | R61-Q64 PolarHBondContact O-NE2 3.4Å; Q64-C70 VanDerWaalsContact C-SG 3.52Å; Q64-C70 PolarHBondContact O-SG 3.2Å; Q64-I82 HydrophobicContact CB-CD1 3.57Å; Q64-I82 HydrophobicContact CG-CD1 3.37Å |
| 65 | P | 69 | Low | 72 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | S | Bend | cis | -82.9 | -35.2 | 7.5 | 29 | -34.2 | 0 | 0 | 0 | 115 | R61 L63 L69 | R61-P65 VanDerWaalsContact CG-O 3.31Å; R61-P65 WeakPolarHBondContact CG-O 3.41Å; L63-P65 CarbonylContact O-C 3.24Å; L63-P65 VanDerWaalsContact O-C 3.24Å; P65-L69 HydrophobicContact CB-CD1 4.19Å; P65-L69 HydrophobicContact CG-CB 3.72Å; P65-L69 HydrophobicContact CG-CD1 3.42Å; P65-L69 VanDerWaalsContact CG-CD1 3.42Å; P65-L69 HydrophobicContact CG-CG 4.2Å |
| 66 | T | 75.6 | Confident | 69.3 | Low | 23 Ų | 23 | 47 Ų | 47 | 14% | 0.141 | 25% | 0.254 | C | S | . | . | trans | -144.6 | 158.4 | 171.3 | 60.8 | 0 | 0 | 0 | 0 | 109 | N59 D60 R61 L63 L68 L69 C70 | N59-T66 WeakPolarHBondContact O-CG2 3.34Å; D60-T66 CarbonylContact O-C 3.52Å; D60-T66 VanDerWaalsContact O-CA 3.26Å; D60-T66 WeakPolarHBondContact O-CA 3.25Å; R61-T66 HydrophobicContact CG-CG2 4.36Å; L63-T66 CarbonylContact O-C 3.22Å; L63-T66 WeakPolarHBondContact O-CA 3.47Å; L63-T66 PolarHBondContact O-N 3.04Å; L63-T66 VanDerWaalsContact O-N 3.1Å; T66-L68 PolarHBondContact O-N 3.03Å; T66-L69 PolarHBondContact O-N 2.96Å; T66-L69 VanDerWaalsContact O-N 3.15Å; T66-L69 WeakPolarHBondContact OG1-CB 3.38Å; T66-L69 WeakPolarHBondContact OG1-CG 3.36Å; T66-L69 PolarHBondContact OG1-N 3.43Å; T66-C70 PolarHBondContact O-N 2.81Å | ||
| 67 | R | 76.2 | Confident | 66.7 | Low | 22 Ų | 22 | 52.7 Ų | 52.7 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -51.3 | -44.7 | 173.5 | -66.5 | -174.4 | 178.8 | 141.8 | -1.5 | 112.5 | A57 M58 D60 D62 L63 L69 C70 T71 G183 L212 S213 | A57-R67 PolarHBondContact O-NH1 3.2Å; M58-R67 HydrophobicContact CE-CB 4.34Å; M58-R67 PolarHBondContact O-N 3.17Å; M58-R67 HydrophobicContact SD-CB 3.88Å; D60-R67 HydrophobicContact CB-CG 4.38Å; D60-R67 PolarHBondContact O-N 3.28Å; D60-R67 IonicContact OD2-CZ 2.86Å; D60-R67 IonicContact OD2-NH1 3.58Å; D60-R67 PolarHBondContact OD2-NH1 2.89Å; D60-R67 IonicContact OD2-NH2 2.7Å; D62-R67 VanDerWaalsContact CG-NH2 3.33Å; D62-R67 WeakPolarHBondContact OD1-CD 3.38Å; D62-R67 WeakPolarHBondContact OD1-CG 3.45Å; D62-R67 IonicContact OD1-CZ 3.54Å; D62-R67 IonicContact OD1-NE 3.41Å; D62-R67 PolarHBondContact OD1-NE 3.28Å; D62-R67 IonicContact OD1-NH2 3.86Å; D62-R67 IonicContact OD2-CZ 2.71Å; D62-R67 IonicContact OD2-NE 2.77Å; D62-R67 PolarHBondContact OD2-NE 3.22Å; D62-R67 IonicContact OD2-NH2 3.06Å; D62-R67 PolarHBondContact OD2-NH2 2.88Å; L63-R67 HydrophobicContact CB-CG 4.47Å; L63-R67 HydrophobicContact CD1-CG 4.26Å; L63-R67 HydrophobicContact CG-CG 4.21Å; R67-L69 PolarHBondContact O-N 3.33Å; R67-C70 PolarHBondContact O-N 3Å; R67-T71 WeakPolarHBondContact O-CB 3.26Å; R67-T71 PolarHBondContact O-N 3.4Å; R67-T71 PolarHBondContact O-OG1 3.33Å; R67-G183 PolarHBondContact NH1-O 2.66Å; R67-L212 HydrophobicContact CB-CD1 3.91Å; R67-L212 HydrophobicContact CG-CD1 4.23Å; R67-S213 PolarHBondContact NH1-OG 2.73Å; R67-S213 PolarHBondContact NH2-OG 3.11Å |
| 68 | L | 77.3 | Confident | 64.3 | Low | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 178.9 | -173.3 | 58.9 | 0 | 0 | 0 | 111.7 | L52 M54 M58 T66 C70 T71 L72 G148 | L52-L68 HydrophobicContact CD2-CD1 4.12Å; M54-L68 HydrophobicContact CG-CD1 4.39Å; M58-L68 HydrophobicContact CB-CB 4.02Å; M58-L68 HydrophobicContact CE-CB 4.43Å; M58-L68 HydrophobicContact CE-CD1 4.15Å; M58-L68 WeakPolarHBondContact O-CB 3.13Å; M58-L68 PolarHBondContact O-N 2.83Å; T66-L68 PolarHBondContact O-N 3.03Å; L68-C70 PolarHBondContact O-N 3.12Å; L68-T71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 2.93Å; L68-G148 VanDerWaalsContact CD2-O 3.24Å; L68-G148 WeakPolarHBondContact CD2-O 3.39Å |
| 69 | L | 74.7 | Confident | 62.1 | Low | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67 | -38.1 | -179 | -77.5 | 172.2 | 0 | 0 | 0 | 111.8 | P65 T66 R67 K73 L146 | P65-L69 HydrophobicContact CB-CD1 4.19Å; P65-L69 HydrophobicContact CG-CB 3.72Å; P65-L69 HydrophobicContact CG-CD1 3.42Å; P65-L69 VanDerWaalsContact CG-CD1 3.42Å; P65-L69 HydrophobicContact CG-CG 4.2Å; T66-L69 PolarHBondContact O-N 2.96Å; T66-L69 VanDerWaalsContact O-N 3.15Å; T66-L69 WeakPolarHBondContact OG1-CB 3.38Å; T66-L69 WeakPolarHBondContact OG1-CG 3.36Å; T66-L69 PolarHBondContact OG1-N 3.43Å; R67-L69 PolarHBondContact O-N 3.33Å; L69-K73 VanDerWaalsContact O-CA 3.26Å; L69-K73 WeakPolarHBondContact O-CA 3.49Å; L69-K73 WeakPolarHBondContact O-CB 3.26Å; L69-K73 PolarHBondContact O-N 2.81Å; L69-L146 HydrophobicContact CD2-CD2 3.58Å; L69-L146 HydrophobicContact CD2-CG 4.23Å; L69-L146 VanDerWaalsContact CD2-O 3.25Å; L69-L146 WeakPolarHBondContact CD2-O 3.28Å |
| 70 | C | 69.6 | Low | 59.8 | Low | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | 172.7 | -76.7 | 0 | 0 | 0 | 0 | 111.5 | L63 Q64 T66 R67 L68 L72 S84 | L63-C70 HydrophobicContact CB-CB 3.81Å; L63-C70 VanDerWaalsContact CB-SG 3.51Å; L63-C70 HydrophobicContact CD1-CB 3.99Å; Q64-C70 VanDerWaalsContact C-SG 3.52Å; Q64-C70 PolarHBondContact O-SG 3.2Å; T66-C70 PolarHBondContact O-N 2.81Å; R67-C70 PolarHBondContact O-N 3Å; L68-C70 PolarHBondContact O-N 3.12Å; C70-L72 PolarHBondContact O-N 2.92Å; C70-S84 PolarHBondContact SG-OG 2.94Å |
| 71 | T | 70.4 | Confident | 57.4 | Low | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 178.8 | -60.1 | 0 | 0 | 0 | 0 | 113 | L52 R67 L68 I85 L87 V181 | L52-T71 HydrophobicContact CD1-CG2 3.38Å; R67-T71 WeakPolarHBondContact O-CB 3.26Å; R67-T71 PolarHBondContact O-N 3.4Å; R67-T71 PolarHBondContact O-OG1 3.33Å; L68-T71 PolarHBondContact O-N 2.88Å; T71-I85 CarbonylContact C-O 3.59Å; T71-I85 WeakPolarHBondContact CA-O 3.33Å; T71-I85 HydrophobicContact CG2-CB 4.49Å; T71-I85 HydrophobicContact CG2-CG2 4.35Å; T71-L87 VanDerWaalsContact O-CB 3.27Å; T71-L87 WeakPolarHBondContact O-CB 3.44Å; T71-L87 PolarHBondContact O-N 3.18Å; T71-L87 VanDerWaalsContact O-N 3.12Å; T71-V181 HydrophobicContact CG2-CB 4.41Å; T71-V181 HydrophobicContact CG2-CG1 3.7Å |
| 72 | L | 67.2 | Low | 55.1 | Low | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -83.2 | -29.5 | -178.6 | -71.5 | 179.9 | 0 | 0 | 0 | 113.1 | L52 L68 C70 V74 L142 H145 L146 | L52-L72 HydrophobicContact CD2-CD2 3.45Å; L52-L72 VanDerWaalsContact CD2-CD2 3.45Å; L52-L72 HydrophobicContact CD2-CG 4.18Å; L68-L72 HydrophobicContact CD1-CD1 3.82Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.83Å; L68-L72 HydrophobicContact CG-CG 4.37Å; L68-L72 WeakPolarHBondContact O-CB 3.37Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.19Å; L68-L72 PolarHBondContact O-N 2.93Å; C70-L72 PolarHBondContact O-N 2.92Å; L72-V74 WeakPolarHBondContact O-CG2 3.34Å; L72-V74 PolarHBondContact O-N 2.87Å; L72-L142 HydrophobicContact CD2-CB 4.17Å; L72-L142 HydrophobicContact CD2-CD2 3.27Å; L72-L142 HydrophobicContact CD2-CG 4.29Å; L72-H145 HydrophobicContact CD1-CB 4.49Å; L72-L146 HydrophobicContact CB-CD1 4.4Å; L72-L146 HydrophobicContact CB-CG 4.23Å; L72-L146 HydrophobicContact CD1-CG 4.41Å |
| 73 | K | 61.2 | Low | 53.4 | Low | 36 Ų | 36 | 63 Ų | 63 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | trans | -38.4 | 104.5 | -151.8 | -155 | 168.9 | 177.4 | 176 | 0 | 112.6 | L69 F77 N78 S88 | L69-K73 VanDerWaalsContact O-CA 3.26Å; L69-K73 WeakPolarHBondContact O-CA 3.49Å; L69-K73 WeakPolarHBondContact O-CB 3.26Å; L69-K73 PolarHBondContact O-N 2.81Å; K73-F77 WeakPolarHBondContact CE-O 3.11Å; K73-F77 PolarHBondContact NZ-O 3.25Å; K73-N78 PolarHBondContact NZ-O 3.29Å; K73-S88 PolarHBondContact O-OG 3.44Å | ||
| 74 | V | 49.4 | Very low | 52.2 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 11% | 0.109 | 34% | 0.341 | C | S | . | . | trans | -97 | 116.8 | 165.2 | -168.5 | 0 | 0 | 0 | 0 | 104.5 | L72 N76 L142 K143 L146 | L72-V74 WeakPolarHBondContact O-CG2 3.34Å; L72-V74 PolarHBondContact O-N 2.87Å; V74-N76 PolarHBondContact O-N 3.23Å; V74-L142 HydrophobicContact CG2-CB 4.08Å; V74-K143 HydrophobicContact CB-CG 3.93Å; V74-K143 HydrophobicContact CG1-CD 4.19Å; V74-K143 HydrophobicContact CG1-CG 3.96Å; V74-K143 HydrophobicContact CG2-CG 3.98Å; V74-L146 HydrophobicContact CB-CD1 3.85Å; V74-L146 HydrophobicContact CG2-CD1 3.71Å | ||
| 75 | A | 34.3 | Very low | 51.7 | Low | 65 Ų | 65 | 60.9 Ų | 60.9 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -27.8 | 121.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 76 | N | 34 | Very low | 51.5 | Low | 157 Ų | 157 | 61.7 Ų | 61.7 | 84% | 0.84 | 33% | 0.33 | S | S | * | . | trans | 171.6 | 14.1 | 153.1 | -86.7 | -18.3 | 0 | 0 | 0 | 116.5 | V74 | V74-N76 PolarHBondContact O-N 3.23Š| ||
| 77 | F | 36.4 | Very low | 51.1 | Low | 168 Ų | 168 | 60.8 Ų | 60.8 | 74% | 0.737 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -137 | 133.2 | 176 | -132.6 | -103.8 | 0 | 0 | 0 | 112.1 | K73 | K73-F77 WeakPolarHBondContact CE-O 3.11Å; K73-F77 PolarHBondContact NZ-O 3.25Å |
| 78 | N | 34.9 | Very low | 50.7 | Low | 131 Ų | 131 | 59.9 Ų | 59.9 | 70% | 0.701 | 32% | 0.321 | S | S | * | . | trans | -13.9 | 118.8 | -178.9 | -94.7 | -43.4 | 0 | 0 | 0 | 116.3 | K73 S80 | K73-N78 PolarHBondContact NZ-O 3.29Å; N78-S80 PolarHBondContact O-N 2.77Å | ||
| 79 | P | 37.7 | Very low | 50.1 | Low | 113 Ų | 113 | 63 Ų | 63 | 73% | 0.734 | 34% | 0.338 | S | S | * | . | trans | -93.1 | 18.6 | -170.1 | 36.9 | -34.6 | 0 | 0 | 0 | 114.5 | R81 | P79-R81 PolarHBondContact O-N 3.42Š| ||
| 80 | S | 35.7 | Very low | 49.7 | Very low | 94 Ų | 94 | 64.1 Ų | 64.1 | 66% | 0.657 | 34% | 0.341 | S | S | * | . | trans | -79.8 | -5.1 | -163.2 | -37.8 | 0 | 0 | 0 | 0 | 116.1 | N78 | N78-S80 PolarHBondContact O-N 2.77Š| ||
| 81 | R | 29.8 | Very low | 49.8 | Very low | 197 Ų | 197 | 64.1 Ų | 64.1 | 74% | 0.743 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -150.1 | 121.3 | -171.2 | -61.4 | -173.9 | -179.6 | -168.7 | -1.7 | 111.3 | P79 | P79-R81 PolarHBondContact O-N 3.42Š|
| 82 | I | 31.2 | Very low | 49.7 | Very low | 68 Ų | 68 | 66.4 Ų | 66.4 | 35% | 0.349 | 35% | 0.353 | S | S | . | . | trans | 95.5 | 126.8 | 156 | -57.6 | 151.7 | 0 | 0 | 0 | 116.8 | L63 Q64 S84 | L63-I82 HydrophobicContact CB-CG2 4.08Å; L63-I82 HydrophobicContact CD2-CG2 3.32Å; L63-I82 HydrophobicContact CG-CG2 4.27Å; Q64-I82 HydrophobicContact CB-CD1 3.57Å; Q64-I82 HydrophobicContact CG-CD1 3.37Å; I82-S84 PolarHBondContact O-N 3.44Å; I82-S84 PolarHBondContact O-OG 3.44Å | ||
| 83 | A | 32.3 | Very low | 49.5 | Very low | 29 Ų | 29 | 70.7 Ų | 70.7 | 24% | 0.24 | 38% | 0.376 | C | S | . | . | trans | -52.3 | 98.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q233 | A83-Q233 PolarHBondContact O-NE2 3.49Š| ||
| 84 | S | 38.9 | Very low | 49.9 | Very low | 18 Ų | 18 | 69.3 Ų | 69.3 | 13% | 0.126 | 37% | 0.37 | C | S | . | . | trans | -103.5 | 131.4 | -173.4 | -59.4 | 0 | 0 | 0 | 0 | 107.9 | C70 I82 H86 | C70-S84 PolarHBondContact SG-OG 2.94Å; I82-S84 PolarHBondContact O-N 3.44Å; I82-S84 PolarHBondContact O-OG 3.44Å; S84-H86 WeakPolarHBondContact CB-CE1 3.37Å; S84-H86 PolarHBondContact O-CD2 3.09Å; S84-H86 VanDerWaalsContact O-CD2 3.24Å; S84-H86 PolarHBondContact O-N 3.17Å | ||
| 85 | I | 50 | Low | 51 | Low | 39 Ų | 39 | 69.4 Ų | 69.4 | 20% | 0.2 | 37% | 0.369 | C | S | . | . | trans | -65 | 104.2 | 171.9 | -63.5 | -176.2 | 0 | 0 | 0 | 107.4 | T71 L87 V181 V210 L212 | T71-I85 CarbonylContact C-O 3.59Å; T71-I85 WeakPolarHBondContact CA-O 3.33Å; T71-I85 HydrophobicContact CG2-CB 4.49Å; T71-I85 HydrophobicContact CG2-CG2 4.35Å; I85-L87 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact O-N 3.15Å; I85-V181 HydrophobicContact CD1-CG1 3.96Å; I85-V210 HydrophobicContact CD1-CB 4.3Å; I85-V210 HydrophobicContact CD1-CG1 3.33Å; I85-L212 HydrophobicContact CD1-CD2 3.32Å; I85-L212 HydrophobicContact CG1-CD2 4.09Å | ||
| 86 | H | 65 | Low | 52.6 | Low | 66 Ų | 66 | 69.7 Ų | 69.7 | 31% | 0.306 | 36% | 0.362 | S | S | . | . | trans | -89.2 | 87.3 | -179.2 | -67 | -55.2 | 0 | 0 | 0 | 110.1 | S84 S88 N89 F90 | S84-H86 WeakPolarHBondContact CB-CE1 3.37Å; S84-H86 PolarHBondContact O-CD2 3.09Å; S84-H86 VanDerWaalsContact O-CD2 3.24Å; S84-H86 PolarHBondContact O-N 3.17Å; H86-S88 PolarHBondContact O-N 3.35Å; H86-S88 VanDerWaalsContact O-N 3.14Å; H86-N89 HydrophobicContact CB-CB 3.86Å; H86-N89 PolarHBondContact O-N 3.36Å; H86-N89 VanDerWaalsContact O-N 3.09Å; H86-F90 PolarHBondContact O-N 2.97Å | ||
| 87 | L | 68 | Low | 54.1 | Low | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60 | -28.4 | 179.5 | -155.7 | 72.2 | 0 | 0 | 0 | 111.8 | L50 T71 I85 F90 V91 L105 L142 | L50-L87 HydrophobicContact CD1-CD1 4.14Å; L50-L87 HydrophobicContact CD1-CD2 4.28Å; L50-L87 HydrophobicContact CD1-CG 4.22Å; T71-L87 VanDerWaalsContact O-CB 3.27Å; T71-L87 WeakPolarHBondContact O-CB 3.44Å; T71-L87 PolarHBondContact O-N 3.18Å; T71-L87 VanDerWaalsContact O-N 3.12Å; I85-L87 PolarHBondContact O-N 3.3Å; I85-L87 VanDerWaalsContact O-N 3.15Å; L87-F90 HydrophobicContact CD1-CD1 4.31Å; L87-V91 WeakPolarHBondContact O-CB 3.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.38Å; L87-V91 PolarHBondContact O-N 2.86Å; L87-L105 HydrophobicContact CD2-CD1 3.86Å; L87-L142 HydrophobicContact CB-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD1 4.37Å; L87-L142 HydrophobicContact CD2-CD2 3.74Å |
| 88 | S | 66.2 | Low | 55.6 | Low | 4 Ų | 4 | 59.7 Ų | 59.7 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.6 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | K73 H86 D92 K139 | K73-S88 PolarHBondContact O-OG 3.44Å; H86-S88 PolarHBondContact O-N 3.35Å; H86-S88 VanDerWaalsContact O-N 3.14Å; S88-D92 PolarHBondContact O-N 3.21Å; S88-K139 VanDerWaalsContact O-CE 3.29Å; S88-K139 WeakPolarHBondContact O-CE 3.38Å |
| 89 | N | 64.5 | Low | 57.3 | Low | 67 Ų | 67 | 53.9 Ų | 53.9 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.2 | -42.6 | 176.1 | -65.1 | -4.5 | 0 | 0 | 0 | 110.5 | H86 V91 D92 D93 | H86-N89 HydrophobicContact CB-CB 3.86Å; H86-N89 PolarHBondContact O-N 3.36Å; H86-N89 VanDerWaalsContact O-N 3.09Å; N89-V91 PolarHBondContact O-N 3.32Å; N89-D92 WeakPolarHBondContact O-CB 3.21Å; N89-D92 PolarHBondContact O-N 3.36Å; N89-D93 PolarHBondContact O-N 3.27Å |
| 90 | F | 67.6 | Low | 58.9 | Low | 71 Ų | 71 | 49.4 Ų | 49.4 | 31% | 0.311 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.9 | -43 | 173.9 | 170.5 | -92.9 | 0 | 0 | 0 | 111.4 | L50 H86 L87 F94 L179 | L50-F90 HydrophobicContact CD1-CD1 4.31Å; L50-F90 HydrophobicContact CD1-CE1 4.15Å; L50-F90 HydrophobicContact CD2-CE1 3.85Å; H86-F90 PolarHBondContact O-N 2.97Å; L87-F90 HydrophobicContact CD1-CD1 4.31Å; F90-F94 HydrophobicContact CE1-CB 4.23Å; F90-F94 HydrophobicContact CE1-CG 4.47Å; F90-F94 HydrophobicContact CZ-CB 4.28Å; F90-F94 HydrophobicContact CZ-CD2 4.04Å; F90-F94 HydrophobicContact CZ-CG 4.39Å; F90-F94 WeakPolarHBondContact O-CA 3.19Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 PolarHBondContact O-N 3.44Å; F90-L179 HydrophobicContact CE1-CD2 4.35Å; F90-L179 HydrophobicContact CE2-CD2 4.35Å; F90-L179 HydrophobicContact CZ-CD2 4.02Å |
| 91 | V | 70.8 | Confident | 60.9 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.5 | 165.3 | 0 | 0 | 0 | 0 | 111.2 | L50 L87 N89 F95 P135 Q138 | L50-V91 HydrophobicContact CD1-CG2 4.13Å; L87-V91 WeakPolarHBondContact O-CB 3.15Å; L87-V91 WeakPolarHBondContact O-CG2 3.38Å; L87-V91 PolarHBondContact O-N 2.86Å; N89-V91 PolarHBondContact O-N 3.32Å; V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 2.99Å; V91-P135 HydrophobicContact CG1-CB 3.86Å; V91-Q138 HydrophobicContact CG1-CB 3.94Å; V91-Q138 HydrophobicContact CG1-CG 4.32Å; V91-Q138 HydrophobicContact CG2-CB 4.43Å |
| 92 | D | 67.8 | Low | 63.4 | Low | 48 Ų | 48 | 37.1 Ų | 37.1 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.7 | -53.4 | 176 | -68.7 | -25.7 | 0 | 0 | 0 | 111.5 | S88 N89 F94 F95 D96 K139 | S88-D92 PolarHBondContact O-N 3.21Å; N89-D92 WeakPolarHBondContact O-CB 3.21Å; N89-D92 PolarHBondContact O-N 3.36Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.28Å; D92-F95 PolarHBondContact O-N 3.33Å; D92-D96 WeakPolarHBondContact O-CB 3.14Å; D92-D96 PolarHBondContact O-N 3.03Å; D92-K139 WeakPolarHBondContact OD1-CE 3.45Å; D92-K139 IonicContact OD1-NZ 2.88Å; D92-K139 PolarHBondContact OD1-NZ 2.89Å; D92-K139 VanDerWaalsContact OD2-CE 3.29Å; D92-K139 WeakPolarHBondContact OD2-CE 3.43Å; D92-K139 IonicContact OD2-NZ 3.11Å; D92-K139 PolarHBondContact OD2-NZ 2.88Å |
| 93 | D | 64.3 | Low | 65.8 | Low | 91 Ų | 91 | 33.9 Ų | 33.9 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -178.8 | -65.2 | -21 | 0 | 0 | 0 | 110.6 | N89 D96 Q97 | N89-D93 PolarHBondContact O-N 3.27Å; D93-D96 PolarHBondContact O-N 3.16Å; D93-Q97 WeakPolarHBondContact O-CB 3.43Å; D93-Q97 VanDerWaalsContact O-CG 3.23Å; D93-Q97 WeakPolarHBondContact O-CG 3.48Å; D93-Q97 PolarHBondContact O-N 3.39Å |
| 94 | F | 69.2 | Low | 68.4 | Low | 7 Ų | 7 | 32.6 Ų | 32.6 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 177.3 | 179.6 | -92.5 | 0 | 0 | 0 | 111.8 | R46 V48 F90 D92 D96 N98 S101 V103 | R46-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CB-CZ 4.37Å; V48-F94 HydrophobicContact CG2-CE1 4.43Å; V48-F94 HydrophobicContact CG2-CE2 3.73Å; V48-F94 HydrophobicContact CG2-CZ 3.49Å; V48-F94 VanDerWaalsContact CG2-CZ 3.49Å; F90-F94 HydrophobicContact CE1-CB 4.23Å; F90-F94 HydrophobicContact CE1-CG 4.47Å; F90-F94 HydrophobicContact CZ-CB 4.28Å; F90-F94 HydrophobicContact CZ-CD2 4.04Å; F90-F94 HydrophobicContact CZ-CG 4.39Å; F90-F94 WeakPolarHBondContact O-CA 3.19Å; F90-F94 WeakPolarHBondContact O-CB 3.38Å; F90-F94 PolarHBondContact O-N 3.44Å; D92-F94 VanDerWaalsContact C-N 3.27Å; D92-F94 PolarHBondContact O-N 3.28Å; F94-D96 VanDerWaalsContact C-N 3.3Å; F94-N98 HydrophobicContact CE1-CB 4.33Å; F94-N98 HydrophobicContact CE2-CB 4.43Å; F94-N98 HydrophobicContact CZ-CB 4.22Å; F94-N98 WeakPolarHBondContact O-CA 3.14Å; F94-N98 WeakPolarHBondContact O-CB 3.37Å; F94-N98 PolarHBondContact O-N 2.71Å; F94-N98 PolarHBondContact O-ND2 3.02Å; F94-N98 VanDerWaalsContact O-ND2 3.13Å; F94-S101 VanDerWaalsContact CE1-CB 3.5Å; F94-V103 HydrophobicContact CD1-CG2 3.6Å; F94-V103 HydrophobicContact CE1-CG2 3.45Å; F94-V103 VanDerWaalsContact CE1-CG2 3.45Å; F94-V103 HydrophobicContact CZ-CG2 4.31Å |
| 95 | F | 72.6 | Confident | 70.6 | Confident | 20 Ų | 20 | 31.8 Ų | 31.8 | 9% | 0.088 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.2 | -27.6 | 178.9 | -82.4 | -65.7 | 0 | 0 | 0 | 112.6 | V91 D92 N98 P99 S101 V103 S133 P135 | V91-F95 HydrophobicContact CG1-CD2 3.75Å; V91-F95 HydrophobicContact CG1-CE2 3.83Å; V91-F95 WeakPolarHBondContact O-CD2 3.38Å; V91-F95 PolarHBondContact O-N 2.99Å; D92-F95 PolarHBondContact O-N 3.33Å; F95-N98 CarbonylContact O-C 3.6Å; F95-P99 VanDerWaalsContact O-CA 3.26Å; F95-P99 WeakPolarHBondContact O-CA 3.45Å; F95-S101 WeakPolarHBondContact CE1-O 3.33Å; F95-V103 HydrophobicContact CE2-CB 4.27Å; F95-V103 HydrophobicContact CE2-CG2 3.99Å; F95-V103 HydrophobicContact CZ-CB 4.02Å; F95-V103 HydrophobicContact CZ-CG2 3.77Å; F95-S133 WeakPolarHBondContact CE1-O 3.48Å; F95-S133 WeakPolarHBondContact CZ-O 3.38Å; F95-P135 HydrophobicContact CD2-CB 4.05Å; F95-P135 HydrophobicContact CD2-CG 4.36Å |
| 96 | D | 68.9 | Low | 72.5 | Confident | 71 Ų | 71 | 29.9 Ų | 29.9 | 38% | 0.38 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -69 | -43.4 | 175.1 | -89.3 | -0.5 | 0 | 0 | 0 | 112.2 | D92 D93 F94 R285 | D92-D96 WeakPolarHBondContact O-CB 3.14Å; D92-D96 PolarHBondContact O-N 3.03Å; D93-D96 PolarHBondContact O-N 3.16Å; F94-D96 VanDerWaalsContact C-N 3.3Å; D96-R285 PolarHBondContact O-NE 3.35Å; D96-R285 IonicContact OD1-CZ 3.31Å; D96-R285 VanDerWaalsContact OD1-CZ 3.31Å; D96-R285 IonicContact OD1-NH1 2.73Å; D96-R285 PolarHBondContact OD1-NH1 3.32Å; D96-R285 IonicContact OD1-NH2 3.59Å; D96-R285 PolarHBondContact OD1-NH2 3.39Å; D96-R285 VanDerWaalsContact OD1-NH2 3.11Å; D96-R285 IonicContact OD2-CZ 3.83Å; D96-R285 IonicContact OD2-NH1 3.95Å; D96-R285 IonicContact OD2-NH2 3.15Å; D96-R285 PolarHBondContact OD2-NH2 3.3Å |
| 97 | Q | 64.5 | Low | 73.6 | Confident | 87 Ų | 87 | 26.8 Ų | 26.8 | 41% | 0.407 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -79.3 | -32 | 176.7 | -61.6 | -179.8 | 7.7 | 0 | 0 | 112.5 | D93 H289 | D93-Q97 WeakPolarHBondContact O-CB 3.43Å; D93-Q97 VanDerWaalsContact O-CG 3.23Å; D93-Q97 WeakPolarHBondContact O-CG 3.48Å; D93-Q97 PolarHBondContact O-N 3.39Å; Q97-H289 WeakPolarHBondContact CG-NE2 3.29Å |
| 98 | N | 68.7 | Low | 74.7 | Confident | 28 Ų | 28 | 26.6 Ų | 26.6 | 15% | 0.15 | 14% | 0.135 | C | C | . | . | trans | -130.4 | 67.3 | -172.1 | -50.9 | -95.4 | 0 | 0 | 0 | 111.9 | F94 F95 I100 S101 | F94-N98 HydrophobicContact CE1-CB 4.33Å; F94-N98 HydrophobicContact CE2-CB 4.43Å; F94-N98 HydrophobicContact CZ-CB 4.22Å; F94-N98 WeakPolarHBondContact O-CA 3.14Å; F94-N98 WeakPolarHBondContact O-CB 3.37Å; F94-N98 PolarHBondContact O-N 2.71Å; F94-N98 PolarHBondContact O-ND2 3.02Å; F94-N98 VanDerWaalsContact O-ND2 3.13Å; F95-N98 CarbonylContact O-C 3.6Å; N98-I100 VanDerWaalsContact C-N 3.26Å; N98-I100 PolarHBondContact O-N 3.42Å; N98-S101 WeakPolarHBondContact CB-OG 3.29Å; N98-S101 WeakPolarHBondContact O-CB 3.29Å; N98-S101 PolarHBondContact O-N 2.96Å; N98-S101 VanDerWaalsContact O-N 3.09Å | ||
| 99 | P | 68.9 | Low | 75.8 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 6% | 0.058 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -30.9 | -172.1 | 21.3 | -31.5 | 0 | 0 | 0 | 113.3 | F95 S101 P267 H282 | F95-P99 VanDerWaalsContact O-CA 3.26Å; F95-P99 WeakPolarHBondContact O-CA 3.45Å; P99-S101 VanDerWaalsContact C-N 3.31Å; P99-P267 HydrophobicContact CB-CG 4.15Å; P99-P267 WeakPolarHBondContact O-CG 3.48Å; P99-H282 HydrophobicContact CB-CB 3.82Å; P99-H282 HydrophobicContact CG-CB 3.73Å; P99-H282 WeakPolarHBondContact CG-O 3.3Å |
| 100 | I | 72.2 | Confident | 77.1 | Confident | 19 Ų | 19 | 28.9 Ų | 28.9 | 10% | 0.097 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7 | -179.1 | 64.9 | -179.7 | 0 | 0 | 0 | 114 | L43 M45 N98 I278 | L43-I100 HydrophobicContact CB-CD1 4.12Å; L43-I100 HydrophobicContact CD2-CD1 4.34Å; M45-I100 HydrophobicContact CG-CD1 3.67Å; M45-I100 HydrophobicContact CG-CG1 4.05Å; N98-I100 VanDerWaalsContact C-N 3.26Å; N98-I100 PolarHBondContact O-N 3.42Å; I100-I278 HydrophobicContact CG2-CB 4.48Å; I100-I278 HydrophobicContact CG2-CG2 3.6Å |
| 101 | S | 78 | Confident | 78.2 | Confident | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | trans | -80 | 158.7 | -178.1 | -66.9 | 0 | 0 | 0 | 0 | 111.1 | R46 F94 F95 N98 P99 | R46-S101 WeakPolarHBondContact CB-OG 3.1Å; R46-S101 PolarHBondContact N-OG 3.28Å; R46-S101 CarbonylContact O-C 3.48Å; R46-S101 WeakPolarHBondContact O-CA 3.25Å; R46-S101 WeakPolarHBondContact O-CB 3.32Å; R46-S101 PolarHBondContact O-OG 2.79Å; F94-S101 VanDerWaalsContact CE1-CB 3.5Å; F95-S101 WeakPolarHBondContact CE1-O 3.33Å; N98-S101 WeakPolarHBondContact CB-OG 3.29Å; N98-S101 WeakPolarHBondContact O-CB 3.29Å; N98-S101 PolarHBondContact O-N 2.96Å; N98-S101 VanDerWaalsContact O-N 3.09Å; P99-S101 VanDerWaalsContact C-N 3.31Å | ||
| 102 | Q | 82.5 | Confident | 79.2 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 14% | 0.136 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.2 | 178.9 | -58.6 | -175.2 | -7 | 0 | 0 | 110.4 | R46 V48 F119 A120 | R46-Q102 PolarHBondContact O-N 3.49Å; V48-Q102 PolarHBondContact N-O 3.34Å; Q102-F119 HydrophobicContact CB-CD1 3.79Å; Q102-F119 HydrophobicContact CB-CE1 4.26Å; Q102-A120 HydrophobicContact CG-CB 4.31Å; Q102-A120 PolarHBondContact NE2-O 3.06Å |
| 103 | V | 81.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.3 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | V48 L50 F94 F95 S133 Q138 | V48-V103 HydrophobicContact CB-CG2 4.46Å; V48-V103 VanDerWaalsContact O-CA 3.29Å; V48-V103 WeakPolarHBondContact O-CA 3.4Å; L50-V103 HydrophobicContact CD1-CG1 3.47Å; L50-V103 VanDerWaalsContact CD1-CG1 3.47Å; L50-V103 HydrophobicContact CG-CG1 3.7Å; F94-V103 HydrophobicContact CD1-CG2 3.6Å; F94-V103 HydrophobicContact CE1-CG2 3.45Å; F94-V103 VanDerWaalsContact CE1-CG2 3.45Å; F94-V103 HydrophobicContact CZ-CG2 4.31Å; F95-V103 HydrophobicContact CE2-CB 4.27Å; F95-V103 HydrophobicContact CE2-CG2 3.99Å; F95-V103 HydrophobicContact CZ-CB 4.02Å; F95-V103 HydrophobicContact CZ-CG2 3.77Å; V103-S133 WeakPolarHBondContact O-CB 3.37Å; V103-Q138 PolarHBondContact O-NE2 2.89Å |
| 104 | C | 86.2 | Confident | 81.5 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.007 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 132.1 | 170.7 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | V48 C49 L50 T117 F119 | V48-C104 PolarHBondContact O-N 3.31Å; C49-C104 CarbonylContact C-O 3.51Å; C49-C104 WeakPolarHBondContact CA-O 3.33Å; L50-C104 PolarHBondContact N-O 2.72Å; C104-T117 PolarHBondContact SG-O 3.27Å; C104-F119 HydrophobicContact CB-CD1 3.75Å; C104-F119 HydrophobicContact CB-CD2 3.69Å; C104-F119 HydrophobicContact CB-CE1 3.52Å; C104-F119 HydrophobicContact CB-CE2 3.45Å; C104-F119 VanDerWaalsContact CB-CE2 3.45Å; C104-F119 HydrophobicContact CB-CG 3.83Å; C104-F119 HydrophobicContact CB-CZ 3.36Å |
| 105 | L | 84.9 | Confident | 82.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126 | -179.1 | -176.8 | 69.9 | 0 | 0 | 0 | 109.9 | L50 L87 L116 T117 L142 | L50-L105 HydrophobicContact CB-CD1 3.76Å; L50-L105 CarbonylContact O-C 3.09Å; L50-L105 WeakPolarHBondContact O-CA 3.48Å; L87-L105 HydrophobicContact CD2-CD1 3.86Å; L105-L116 HydrophobicContact CB-CB 4.23Å; L105-L116 HydrophobicContact CD2-CB 3.88Å; L105-L116 HydrophobicContact CD2-CD1 3.75Å; L105-L116 HydrophobicContact CD2-CG 4.39Å; L105-L116 HydrophobicContact CG-CB 4Å; L105-L116 HydrophobicContact CG-CD1 3.97Å; L105-L116 HydrophobicContact CG-CG 4.37Å; L105-L116 WeakPolarHBondContact O-CA 3.45Å; L105-L116 WeakPolarHBondContact O-CB 3.23Å; L105-L116 PolarHBondContact O-N 3.37Å; L105-T117 HydrophobicContact CB-CG2 4.31Å; L105-T117 WeakPolarHBondContact CB-OG1 3.38Å; L105-T117 PolarHBondContact N-OG1 3Å; L105-T117 PolarHBondContact O-N 2.95Å; L105-T117 VanDerWaalsContact O-N 3.09Å; L105-L142 HydrophobicContact CD1-CD2 4.28Å; L105-L142 HydrophobicContact CD2-CD2 3.47Å; L105-L142 VanDerWaalsContact CD2-CD2 3.47Å; L105-L142 HydrophobicContact CD2-CG 3.95Å |
| 106 | L | 89.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 135.6 | 174.7 | -56.2 | -174.4 | 0 | 0 | 0 | 109.2 | C49 L50 V51 L52 V113 K114 K115 M162 L166 | C49-L106 WeakPolarHBondContact SG-CD1 3.37Å; L50-L106 PolarHBondContact O-N 2.52Å; V51-L106 HydrophobicContact CG2-CB 4.3Å; V51-L106 HydrophobicContact CG2-CD1 4.17Å; L52-L106 PolarHBondContact N-O 2.87Å; L106-V113 HydrophobicContact CB-CG1 4.02Å; L106-V113 HydrophobicContact CD1-CG1 4.1Å; L106-V113 HydrophobicContact CG-CG1 4.45Å; L106-K114 CarbonylContact C-O 3.59Å; L106-K114 WeakPolarHBondContact CA-O 3.34Å; L106-K115 HydrophobicContact CD2-CB 4.14Å; L106-K115 HydrophobicContact CD2-CG 3.73Å; L106-M162 HydrophobicContact CD1-CB 4.33Å; L106-M162 HydrophobicContact CD1-CG 3.88Å; L106-M162 HydrophobicContact CD2-CG 4.43Å; L106-L166 HydrophobicContact CD1-CD1 4.18Å; L106-L166 HydrophobicContact CD2-CD1 3.99Å |
| 107 | G | 88.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 130.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | K114 | G107-K114 PolarHBondContact N-O 3.49Å; G107-K114 PolarHBondContact O-N 3.42Å |
| 108 | V | 91.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.1 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | V51 L52 M54 T112 V113 F154 | V51-V108 HydrophobicContact CG1-CG2 3.5Å; L52-V108 PolarHBondContact O-N 3.4Å; M54-V108 CarbonylContact C-O 3.44Å; M54-V108 WeakPolarHBondContact CA-O 3.46Å; M54-V108 WeakPolarHBondContact CB-O 3.44Å; M54-V108 PolarHBondContact N-O 3.07Å; V108-T112 WeakPolarHBondContact CA-O 3.02Å; V108-V113 HydrophobicContact CG2-CG2 4.31Å; V108-F154 HydrophobicContact CB-CD2 3.75Å; V108-F154 HydrophobicContact CB-CE2 3.75Å; V108-F154 HydrophobicContact CG1-CD2 3.63Å; V108-F154 HydrophobicContact CG1-CE2 3.89Å; V108-F154 HydrophobicContact CG1-CG 4.49Å; V108-F154 HydrophobicContact CG2-CD2 4.37Å; V108-F154 HydrophobicContact CG2-CE2 3.86Å |
| 109 | K | 89.8 | Confident | 84 | Confident | 45 Ų | 45 | 35.6 Ų | 35.6 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 139.4 | -175.3 | -170.7 | 172.7 | 170.8 | 165.5 | 0 | 110.2 | M54 K111 T112 E149 S151 | M54-K109 HydrophobicContact CB-CB 4.14Å; K109-K111 VanDerWaalsContact C-N 3.27Å; K109-K111 PolarHBondContact O-N 2.96Å; K109-T112 PolarHBondContact N-O 2.91Å; K109-T112 PolarHBondContact O-N 3.05Å; K109-T112 PolarHBondContact O-OG1 3.44Å; K109-E149 PolarHBondContact NZ-O 3.01Å; K109-S151 WeakPolarHBondContact CE-OG 3.21Å; K109-S151 WeakPolarHBondContact CG-O 3.45Å; K109-S151 PolarHBondContact NZ-OG 2.86Å |
| 110 | D | 90.6 | Very high | 83.5 | Confident | 74 Ų | 74 | 35.3 Ų | 35.3 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 43.8 | 179.5 | -50.6 | -52.2 | 0 | 0 | 0 | 113 | T112 S151 G152 | D110-T112 PolarHBondContact O-N 3.3Å; D110-S151 PolarHBondContact N-O 3.18Å; D110-S151 VanDerWaalsContact OD1-O 3.14Å; D110-S151 PolarHBondContact OD1-OG 3.02Å; D110-S151 PolarHBondContact OD2-OG 3.33Å; D110-G152 WeakPolarHBondContact OD1-CA 3.33Å; D110-G152 PolarHBondContact OD1-N 2.85Å |
| 111 | K | 91.4 | Very high | 82.4 | Confident | 95 Ų | 95 | 36 Ų | 36 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 5.2 | -175.4 | -51.9 | 173.2 | -172.1 | -175 | 0 | 115.1 | K109 E153 N158 C188 | K109-K111 VanDerWaalsContact C-N 3.27Å; K109-K111 PolarHBondContact O-N 2.96Å; K111-E153 WeakPolarHBondContact CE-OE2 3.14Å; K111-E153 HydrophobicContact CG-CB 4.21Å; K111-E153 PolarHBondContact N-O 3.38Å; K111-E153 IonicContact NZ-OE2 3.64Å; K111-E153 PolarHBondContact NZ-OE2 3.18Å; K111-N158 PolarHBondContact O-ND2 2.85Å; K111-C188 HydrophobicContact CD-CB 4.2Å; K111-C188 HydrophobicContact CG-CB 4.28Å |
| 112 | T | 91.2 | Very high | 80.9 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 45% | 0.448 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 154.4 | -179.7 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | V108 K109 D110 | V108-T112 WeakPolarHBondContact CA-O 3.02Å; K109-T112 PolarHBondContact N-O 2.91Å; K109-T112 PolarHBondContact O-N 3.05Å; K109-T112 PolarHBondContact O-OG1 3.44Å; D110-T112 PolarHBondContact O-N 3.3Å |
| 113 | V | 91.9 | Very high | 78.7 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 15% | 0.145 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.6 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | L106 V108 N158 M162 | L106-V113 HydrophobicContact CB-CG1 4.02Å; L106-V113 HydrophobicContact CD1-CG1 4.1Å; L106-V113 HydrophobicContact CG-CG1 4.45Å; V108-V113 HydrophobicContact CG2-CG2 4.31Å; V113-N158 VanDerWaalsContact CG2-C 3.41Å; V113-N158 HydrophobicContact CG2-CB 3.82Å; V113-N158 WeakPolarHBondContact CG2-O 3.22Å; V113-M162 HydrophobicContact CB-CB 4.35Å; V113-M162 HydrophobicContact CB-CG 4.48Å; V113-M162 HydrophobicContact CG1-CB 4.03Å; V113-M162 HydrophobicContact CG1-CG 3.91Å |
| 114 | K | 88.1 | Confident | 76.4 | Confident | 116 Ų | 116 | 51 Ų | 51 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.7 | 175.1 | -67.9 | -179.2 | 177.7 | 176.9 | 0 | 109.2 | L106 G107 L116 | L106-K114 CarbonylContact C-O 3.59Å; L106-K114 WeakPolarHBondContact CA-O 3.34Å; G107-K114 PolarHBondContact N-O 3.49Å; G107-K114 PolarHBondContact O-N 3.42Å; K114-L116 HydrophobicContact CB-CD2 4.23Å; K114-L116 PolarHBondContact O-N 3.41Å |
| 115 | K | 85.8 | Confident | 73.5 | Confident | 100 Ų | 100 | 62.3 Ų | 62.3 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 108.7 | 171.6 | -62.2 | 179.1 | -176.4 | 176.3 | 0 | 108.1 | L106 M162 L166 | L106-K115 HydrophobicContact CD2-CB 4.14Å; L106-K115 HydrophobicContact CD2-CG 3.73Å; K115-M162 HydrophobicContact CD-SD 4.42Å; K115-M162 WeakPolarHBondContact CE-SD 3.47Å; K115-M162 HydrophobicContact CG-SD 4.5Å; K115-L166 HydrophobicContact CD-CD2 4.46Å |
| 116 | L | 81.6 | Confident | 70.8 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -83.1 | -37.6 | 179 | -55 | -170.6 | 0 | 0 | 0 | 110.6 | M54 L105 K114 H145 | M54-L116 HydrophobicContact SD-CD1 4.32Å; L105-L116 HydrophobicContact CB-CB 4.23Å; L105-L116 HydrophobicContact CD2-CB 3.88Å; L105-L116 HydrophobicContact CD2-CD1 3.75Å; L105-L116 HydrophobicContact CD2-CG 4.39Å; L105-L116 HydrophobicContact CG-CB 4Å; L105-L116 HydrophobicContact CG-CD1 3.97Å; L105-L116 HydrophobicContact CG-CG 4.37Å; L105-L116 WeakPolarHBondContact O-CA 3.45Å; L105-L116 WeakPolarHBondContact O-CB 3.23Å; L105-L116 PolarHBondContact O-N 3.37Å; K114-L116 HydrophobicContact CB-CD2 4.23Å; K114-L116 PolarHBondContact O-N 3.41Å; L116-H145 VanDerWaalsContact CD2-CE1 3.46Å; L116-H145 WeakPolarHBondContact CD2-CE1 3.34Å; L116-H145 WeakPolarHBondContact CD2-NE2 3.49Å |
| 117 | T | 80 | Confident | 68 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 10% | 0.104 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -134.5 | 156.6 | 170.7 | 65.4 | 0 | 0 | 0 | 0 | 110.7 | C104 L105 Q138 A141 | C104-T117 PolarHBondContact SG-O 3.27Å; L105-T117 HydrophobicContact CB-CG2 4.31Å; L105-T117 WeakPolarHBondContact CB-OG1 3.38Å; L105-T117 PolarHBondContact N-OG1 3Å; L105-T117 PolarHBondContact O-N 2.95Å; L105-T117 VanDerWaalsContact O-N 3.09Å; T117-Q138 VanDerWaalsContact OG1-CD 3.28Å; T117-Q138 PolarHBondContact OG1-NE2 2.79Å; T117-Q138 PolarHBondContact OG1-OE1 2.99Å; T117-A141 HydrophobicContact CG2-CB 3.47Å; T117-A141 VanDerWaalsContact CG2-CB 3.47Å |
| 118 | E | 76.3 | Confident | 65 | Low | 98 Ų | 98 | 83.2 Ų | 83.2 | 46% | 0.458 | 40% | 0.404 | S | S | . | . | trans | -103.7 | 154.3 | 175.3 | -66.3 | -169.6 | 159.6 | 0 | 0 | 111.3 | ||||
| 119 | F | 73.1 | Confident | 62 | Low | 10 Ų | 10 | 89 Ų | 89 | 4% | 0.044 | 43% | 0.431 | C | S | . | . | trans | -58.7 | 143.1 | 164.4 | -73.8 | -65.7 | 0 | 0 | 0 | 110.6 | Q47 C49 Q102 C104 G121 K122 L166 L167 | Q47-F119 HydrophobicContact CB-CE1 4.21Å; Q47-F119 HydrophobicContact CB-CZ 4.47Å; C49-F119 HydrophobicContact CB-CZ 4.43Å; Q102-F119 HydrophobicContact CB-CD1 3.79Å; Q102-F119 HydrophobicContact CB-CE1 4.26Å; C104-F119 HydrophobicContact CB-CD1 3.75Å; C104-F119 HydrophobicContact CB-CD2 3.69Å; C104-F119 HydrophobicContact CB-CE1 3.52Å; C104-F119 HydrophobicContact CB-CE2 3.45Å; C104-F119 VanDerWaalsContact CB-CE2 3.45Å; C104-F119 HydrophobicContact CB-CG 3.83Å; C104-F119 HydrophobicContact CB-CZ 3.36Å; F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.13Å; F119-K122 PolarHBondContact O-N 2.77Å; F119-L166 HydrophobicContact CD2-CB 4.29Å; F119-L166 HydrophobicContact CE2-CB 3.95Å; F119-L167 HydrophobicContact CE2-CD2 3.81Å; F119-L167 HydrophobicContact CE2-CG 4.49Å; F119-L167 HydrophobicContact CZ-CD2 3.65Å | ||
| 120 | A | 58.8 | Low | 59.1 | Low | 2 Ų | 2 | 93.3 Ų | 93.3 | 2% | 0.017 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 75.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q102 L132 S133 | Q102-A120 HydrophobicContact CG-CB 4.31Å; Q102-A120 PolarHBondContact NE2-O 3.06Å; A120-L132 VanDerWaalsContact CB-CA 3.45Å; A120-L132 HydrophobicContact CB-CB 3.59Å; A120-L132 HydrophobicContact CB-CD2 3.66Å; A120-L132 HydrophobicContact CB-CG 4.11Å; A120-S133 VanDerWaalsContact CB-N 3.31Å |
| 121 | G | 48.3 | Very low | 56.3 | Low | 35 Ų | 35 | 93 Ų | 93 | 36% | 0.361 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 169.4 | -32.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F119 R271 | F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.13Å; G121-R271 VanDerWaalsContact CA-CZ 3.49Å; G121-R271 VanDerWaalsContact N-NH2 3.19Å; G121-R271 PolarHBondContact O-NH1 2.79Å |
| 122 | K | 47.2 | Very low | 54 | Low | 95 Ų | 95 | 89.7 Ų | 89.7 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | trans | -100.4 | 25 | -166.1 | -71.8 | -173.8 | 167.9 | -174.9 | 0 | 116 | F119 F124 L166 D169 | F119-K122 PolarHBondContact O-N 2.77Å; K122-F124 PolarHBondContact O-N 3.31Å; K122-L166 PolarHBondContact NZ-O 3.09Å; K122-D169 IonicContact NZ-OD2 2.72Å; K122-D169 PolarHBondContact NZ-OD2 2.79Å | ||
| 123 | V | 37.2 | Very low | 52.2 | Low | 71 Ų | 71 | 86.9 Ų | 86.9 | 43% | 0.43 | 42% | 0.422 | S | S | . | . | trans | -78.4 | 112.1 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 124 | F | 31.6 | Very low | 50.7 | Low | 181 Ų | 181 | 87.5 Ų | 87.5 | 79% | 0.794 | 43% | 0.425 | S | S | * | . | trans | -73.2 | 149.5 | 168.8 | -154.8 | -98 | 0 | 0 | 0 | 110.6 | K122 N126 | K122-F124 PolarHBondContact O-N 3.31Å; F124-N126 PolarHBondContact O-N 3.27Å | ||
| 125 | W | 26.6 | Very low | 49.5 | Very low | 238 Ų | 238 | 83.7 Ų | 83.7 | 90% | 0.902 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 78.4 | -163.3 | -83.9 | 82.6 | 0 | 0 | 0 | 116.2 | ||
| 126 | N | 27.8 | Very low | 48.7 | Very low | 138 Ų | 138 | 84.5 Ų | 84.5 | 74% | 0.738 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150 | -20.2 | 171.8 | -49.7 | 69.5 | 0 | 0 | 0 | 116 | F124 | F124-N126 PolarHBondContact O-N 3.27Š|
| 127 | T | 29.6 | Very low | 48 | Very low | 106 Ų | 106 | 85.8 Ų | 85.8 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | trans | -131.5 | 118.7 | -172 | -50.5 | 0 | 0 | 0 | 0 | 111.6 | H129 | T127-H129 PolarHBondContact O-N 3.07Š| ||
| 128 | F | 25.9 | Very low | 47.3 | Very low | 197 Ų | 197 | 85.1 Ų | 85.1 | 86% | 0.864 | 41% | 0.412 | S | S | * | . | trans | -69.2 | 53.6 | -177.8 | -158.9 | -97.4 | 0 | 0 | 0 | 112.9 | ||||
| 129 | H | 29.3 | Very low | 46.9 | Very low | 122 Ų | 122 | 82.8 Ų | 82.8 | 57% | 0.565 | 40% | 0.4 | S | S | * | . | trans | -125.2 | 84.8 | 173.9 | -104 | -103.7 | 0 | 0 | 0 | 110.9 | T127 L131 | T127-H129 PolarHBondContact O-N 3.07Å; H129-L131 PolarHBondContact O-N 2.98Å | ||
| 130 | I | 28.5 | Very low | 46.8 | Very low | 135 Ų | 135 | 87.4 Ų | 87.4 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | trans | -67.8 | 87.7 | 173 | -58.4 | 163.2 | 0 | 0 | 0 | 109.2 | ||||
| 131 | L | 33 | Very low | 47.1 | Very low | 66 Ų | 66 | 87.8 Ų | 87.8 | 35% | 0.346 | 43% | 0.426 | S | S | . | . | trans | -143.9 | 119.7 | 172.1 | -71.7 | 168.7 | 0 | 0 | 0 | 109.1 | H129 K137 | H129-L131 PolarHBondContact O-N 2.98Å; L131-K137 HydrophobicContact CB-CD 3.47Å; L131-K137 VanDerWaalsContact CB-CD 3.47Å; L131-K137 HydrophobicContact CB-CG 4.16Å; L131-K137 HydrophobicContact CD1-CD 3.89Å; L131-K137 HydrophobicContact CD1-CG 3.87Å; L131-K137 HydrophobicContact CG-CD 4.22Å | ||
| 132 | L | 42.1 | Very low | 48 | Very low | 27 Ų | 27 | 86.2 Ų | 86.2 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | trans | -58.9 | 177 | 164 | -57.8 | 125.4 | 0 | 0 | 0 | 109.4 | A120 N134 T268 | A120-L132 VanDerWaalsContact CB-CA 3.45Å; A120-L132 HydrophobicContact CB-CB 3.59Å; A120-L132 HydrophobicContact CB-CD2 3.66Å; A120-L132 HydrophobicContact CB-CG 4.11Å; L132-N134 PolarHBondContact O-N 2.85Å; L132-T268 WeakPolarHBondContact CD1-OG1 3.26Å; L132-T268 WeakPolarHBondContact CD2-OG1 3.19Å | ||
| 133 | S | 54.2 | Low | 49 | Very low | 13 Ų | 13 | 86.8 Ų | 86.8 | 9% | 0.091 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -60.8 | 84.5 | 165.9 | 57 | 0 | 0 | 0 | 0 | 107.8 | F95 V103 A120 | F95-S133 WeakPolarHBondContact CE1-O 3.48Å; F95-S133 WeakPolarHBondContact CZ-O 3.38Å; V103-S133 WeakPolarHBondContact O-CB 3.37Å; A120-S133 VanDerWaalsContact CB-N 3.31Å |
| 134 | N | 60.3 | Low | 50.4 | Low | 37 Ų | 37 | 89.4 Ų | 89.4 | 20% | 0.198 | 42% | 0.423 | C | S | . | . | trans | -93.5 | 132.4 | 176.8 | -177.9 | -34.1 | 0 | 0 | 0 | 105.9 | L132 R136 K137 Q138 | L132-N134 PolarHBondContact O-N 2.85Å; N134-R136 PolarHBondContact O-N 3.09Å; N134-R136 WeakPolarHBondContact OD1-CB 3.41Å; N134-R136 WeakPolarHBondContact OD1-CG 3.03Å; N134-R136 PolarHBondContact OD1-N 3.12Å; N134-K137 HydrophobicContact CB-CB 4.5Å; N134-K137 PolarHBondContact O-N 3.38Å; N134-Q138 PolarHBondContact O-N 2.9Å | ||
| 135 | P | 63.3 | Low | 52.1 | Low | 36 Ų | 36 | 83.4 Ų | 83.4 | 23% | 0.234 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -49.7 | -34.5 | 175.7 | 18.8 | -32.4 | 0 | 0 | 0 | 112.1 | V91 F95 Q138 K139 | V91-P135 HydrophobicContact CG1-CB 3.86Å; F95-P135 HydrophobicContact CD2-CB 4.05Å; F95-P135 HydrophobicContact CD2-CG 4.36Å; P135-Q138 PolarHBondContact O-N 3.46Å; P135-K139 WeakPolarHBondContact O-CB 3.29Å; P135-K139 VanDerWaalsContact O-CG 3.25Å; P135-K139 WeakPolarHBondContact O-CG 3.37Å; P135-K139 PolarHBondContact O-N 2.9Å |
| 136 | R | 67.7 | Low | 53.7 | Low | 118 Ų | 118 | 73.7 Ų | 73.7 | 45% | 0.445 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 175.2 | -64.4 | -177.2 | 178.8 | 160.6 | -5 | 113.2 | N134 K139 E140 D246 | N134-R136 PolarHBondContact O-N 3.09Å; N134-R136 WeakPolarHBondContact OD1-CB 3.41Å; N134-R136 WeakPolarHBondContact OD1-CG 3.03Å; N134-R136 PolarHBondContact OD1-N 3.12Å; R136-K139 CarbonylContact O-C 3.5Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-E140 WeakPolarHBondContact O-CB 3.43Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.14Å; R136-E140 PolarHBondContact O-N 3.29Å; R136-D246 PolarHBondContact NH2-O 2.79Å |
| 137 | K | 66.6 | Low | 55.1 | Low | 59 Ų | 59 | 77.4 Ų | 77.4 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 177.5 | -95.6 | -155.9 | 164.6 | 179.6 | 0 | 112.4 | L131 N134 K139 E140 A141 | L131-K137 HydrophobicContact CB-CD 3.47Å; L131-K137 VanDerWaalsContact CB-CD 3.47Å; L131-K137 HydrophobicContact CB-CG 4.16Å; L131-K137 HydrophobicContact CD1-CD 3.89Å; L131-K137 HydrophobicContact CD1-CG 3.87Å; L131-K137 HydrophobicContact CG-CD 4.22Å; N134-K137 HydrophobicContact CB-CB 4.5Å; N134-K137 PolarHBondContact O-N 3.38Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K137-E140 PolarHBondContact O-N 2.98Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 3.47Å |
| 138 | Q | 66.9 | Low | 56.8 | Low | 3 Ų | 3 | 73.9 Ų | 73.9 | 1% | 0.014 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 176.5 | -62.7 | -61.6 | -17.3 | 0 | 0 | 109.4 | V91 V103 T117 N134 P135 E140 A141 L142 | V91-Q138 HydrophobicContact CG1-CB 3.94Å; V91-Q138 HydrophobicContact CG1-CG 4.32Å; V91-Q138 HydrophobicContact CG2-CB 4.43Å; V103-Q138 PolarHBondContact O-NE2 2.89Å; T117-Q138 VanDerWaalsContact OG1-CD 3.28Å; T117-Q138 PolarHBondContact OG1-NE2 2.79Å; T117-Q138 PolarHBondContact OG1-OE1 2.99Å; N134-Q138 PolarHBondContact O-N 2.9Å; P135-Q138 PolarHBondContact O-N 3.46Å; Q138-E140 PolarHBondContact O-N 2.9Å; Q138-A141 PolarHBondContact O-N 3.05Å; Q138-L142 WeakPolarHBondContact O-CG 3.26Å; Q138-L142 PolarHBondContact O-N 2.84Å |
| 139 | K | 67.6 | Low | 59.1 | Low | 49 Ų | 49 | 71.9 Ų | 71.9 | 21% | 0.213 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.4 | -75.1 | 173.1 | 167.2 | -179.1 | 0 | 113.5 | S88 D92 P135 R136 K137 L142 K143 | S88-K139 VanDerWaalsContact O-CE 3.29Å; S88-K139 WeakPolarHBondContact O-CE 3.38Å; D92-K139 WeakPolarHBondContact OD1-CE 3.45Å; D92-K139 IonicContact OD1-NZ 2.88Å; D92-K139 PolarHBondContact OD1-NZ 2.89Å; D92-K139 VanDerWaalsContact OD2-CE 3.29Å; D92-K139 WeakPolarHBondContact OD2-CE 3.43Å; D92-K139 IonicContact OD2-NZ 3.11Å; D92-K139 PolarHBondContact OD2-NZ 2.88Å; P135-K139 WeakPolarHBondContact O-CB 3.29Å; P135-K139 VanDerWaalsContact O-CG 3.25Å; P135-K139 WeakPolarHBondContact O-CG 3.37Å; P135-K139 PolarHBondContact O-N 2.9Å; R136-K139 CarbonylContact O-C 3.5Å; R136-K139 PolarHBondContact O-N 3.27Å; K137-K139 VanDerWaalsContact C-N 3.31Å; K139-L142 PolarHBondContact O-N 3.19Å; K139-K143 WeakPolarHBondContact O-CB 3.49Å; K139-K143 VanDerWaalsContact O-CG 3.28Å; K139-K143 WeakPolarHBondContact O-CG 3.48Å; K139-K143 PolarHBondContact O-N 3.03Å |
| 140 | E | 69.9 | Low | 61.4 | Low | 107 Ų | 107 | 66.3 Ų | 66.3 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62 | -48 | 173.8 | -76.6 | 166.5 | -177.7 | 0 | 0 | 110.8 | R136 K137 Q138 L142 K143 D144 | R136-E140 WeakPolarHBondContact O-CB 3.43Å; R136-E140 VanDerWaalsContact O-CG 3.29Å; R136-E140 WeakPolarHBondContact O-CG 3.14Å; R136-E140 PolarHBondContact O-N 3.29Å; K137-E140 PolarHBondContact O-N 2.98Å; Q138-E140 PolarHBondContact O-N 2.9Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 2.91Å; E140-K143 CarbonylContact O-C 3.56Å; E140-K143 WeakPolarHBondContact O-CA 3.23Å; E140-K143 WeakPolarHBondContact O-CB 3.45Å; E140-K143 PolarHBondContact O-N 2.82Å; E140-D144 PolarHBondContact O-N 2.86Å |
| 141 | A | 66.5 | Low | 64.3 | Low | 11 Ų | 11 | 61.9 Ų | 61.9 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T117 K137 Q138 H145 | T117-A141 HydrophobicContact CG2-CB 3.47Å; T117-A141 VanDerWaalsContact CG2-CB 3.47Å; K137-A141 WeakPolarHBondContact O-CB 3.44Å; K137-A141 PolarHBondContact O-N 3.47Å; Q138-A141 PolarHBondContact O-N 3.05Å; A141-H145 PolarHBondContact O-ND1 3.25Å |
| 142 | L | 66.6 | Low | 67 | Low | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 172.3 | -66.9 | 168.6 | 0 | 0 | 0 | 111.7 | L72 V74 L87 L105 Q138 K139 E140 H145 L146 | L72-L142 HydrophobicContact CD2-CB 4.17Å; L72-L142 HydrophobicContact CD2-CD2 3.27Å; L72-L142 HydrophobicContact CD2-CG 4.29Å; V74-L142 HydrophobicContact CG2-CB 4.08Å; L87-L142 HydrophobicContact CB-CD1 4.39Å; L87-L142 HydrophobicContact CD2-CD1 4.37Å; L87-L142 HydrophobicContact CD2-CD2 3.74Å; L105-L142 HydrophobicContact CD1-CD2 4.28Å; L105-L142 HydrophobicContact CD2-CD2 3.47Å; L105-L142 VanDerWaalsContact CD2-CD2 3.47Å; L105-L142 HydrophobicContact CD2-CG 3.95Å; Q138-L142 WeakPolarHBondContact O-CG 3.26Å; Q138-L142 PolarHBondContact O-N 2.84Å; K139-L142 PolarHBondContact O-N 3.19Å; E140-L142 VanDerWaalsContact C-N 3.27Å; E140-L142 PolarHBondContact O-N 2.91Å; L142-H145 PolarHBondContact O-N 2.83Å; L142-L146 PolarHBondContact O-N 3.42Å; L142-L146 VanDerWaalsContact O-N 3.13Å |
| 143 | K | 67.8 | Low | 69.4 | Low | 107 Ų | 107 | 63.4 Ų | 63.4 | 47% | 0.465 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | 176.6 | -76.6 | -179.7 | -175.1 | -171 | 0 | 113.3 | V74 K139 E140 H145 L146 | V74-K143 HydrophobicContact CB-CG 3.93Å; V74-K143 HydrophobicContact CG1-CD 4.19Å; V74-K143 HydrophobicContact CG1-CG 3.96Å; V74-K143 HydrophobicContact CG2-CG 3.98Å; K139-K143 WeakPolarHBondContact O-CB 3.49Å; K139-K143 VanDerWaalsContact O-CG 3.28Å; K139-K143 WeakPolarHBondContact O-CG 3.48Å; K139-K143 PolarHBondContact O-N 3.03Å; E140-K143 CarbonylContact O-C 3.56Å; E140-K143 WeakPolarHBondContact O-CA 3.23Å; E140-K143 WeakPolarHBondContact O-CB 3.45Å; E140-K143 PolarHBondContact O-N 2.82Å; K143-H145 PolarHBondContact O-N 2.55Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CG-CD1 4.13Å; K143-L146 VanDerWaalsContact O-CB 3.28Å; K143-L146 WeakPolarHBondContact O-CB 3.15Å; K143-L146 PolarHBondContact O-N 2.91Å; K143-L146 VanDerWaalsContact O-N 3.17Å |
| 144 | D | 67.7 | Low | 71.2 | Confident | 126 Ų | 126 | 62.8 Ų | 62.8 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.2 | -28.9 | 178.9 | -68.6 | -17.4 | 0 | 0 | 0 | 111.8 | E140 | E140-D144 PolarHBondContact O-N 2.86Å |
| 145 | H | 67.1 | Low | 72.9 | Confident | 55 Ų | 55 | 61 Ų | 61 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.3 | 178.7 | -63.2 | 85.2 | 0 | 0 | 0 | 113.6 | M54 L72 L116 A141 L142 K143 Y147 G148 | M54-H145 HydrophobicContact CE-CB 3.84Å; L72-H145 HydrophobicContact CD1-CB 4.49Å; L116-H145 VanDerWaalsContact CD2-CE1 3.46Å; L116-H145 WeakPolarHBondContact CD2-CE1 3.34Å; L116-H145 WeakPolarHBondContact CD2-NE2 3.49Å; A141-H145 PolarHBondContact O-ND1 3.25Å; L142-H145 PolarHBondContact O-N 2.83Å; K143-H145 PolarHBondContact O-N 2.55Å; H145-Y147 PolarHBondContact O-N 2.85Å; H145-G148 PolarHBondContact O-N 3.34Å |
| 146 | L | 58.5 | Low | 74.3 | Confident | 34 Ų | 34 | 59.3 Ų | 59.3 | 18% | 0.178 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26.3 | 177.9 | -118.1 | 130.9 | 0 | 0 | 0 | 112 | L69 L72 V74 L142 K143 | L69-L146 HydrophobicContact CD2-CD2 3.58Å; L69-L146 HydrophobicContact CD2-CG 4.23Å; L69-L146 VanDerWaalsContact CD2-O 3.25Å; L69-L146 WeakPolarHBondContact CD2-O 3.28Å; L72-L146 HydrophobicContact CB-CD1 4.4Å; L72-L146 HydrophobicContact CB-CG 4.23Å; L72-L146 HydrophobicContact CD1-CG 4.41Å; V74-L146 HydrophobicContact CB-CD1 3.85Å; V74-L146 HydrophobicContact CG2-CD1 3.71Å; L142-L146 PolarHBondContact O-N 3.42Å; L142-L146 VanDerWaalsContact O-N 3.13Å; K143-L146 HydrophobicContact CB-CD1 4.41Å; K143-L146 HydrophobicContact CG-CD1 4.13Å; K143-L146 VanDerWaalsContact O-CB 3.28Å; K143-L146 WeakPolarHBondContact O-CB 3.15Å; K143-L146 PolarHBondContact O-N 2.91Å; K143-L146 VanDerWaalsContact O-N 3.17Å |
| 147 | Y | 57.9 | Low | 75.7 | Confident | 217 Ų | 217 | 54.3 Ų | 54.3 | 85% | 0.851 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -1 | 176.5 | -58.3 | -75 | 0 | 0 | 0 | 113.7 | H145 | H145-Y147 PolarHBondContact O-N 2.85Š|
| 148 | G | 66.4 | Low | 77 | Confident | 31 Ų | 31 | 53.6 Ų | 53.6 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 132 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L68 H145 | L68-G148 VanDerWaalsContact CD2-O 3.24Å; L68-G148 WeakPolarHBondContact CD2-O 3.39Å; H145-G148 PolarHBondContact O-N 3.34Å |
| 149 | E | 72.5 | Confident | 78.3 | Confident | 156 Ų | 156 | 53.5 Ų | 53.5 | 73% | 0.729 | 27% | 0.271 | S | S | * | . | P | Polyproline II helix | trans | -77 | 136.1 | 165.4 | -66.4 | -173.7 | 166.3 | 0 | 0 | 109.6 | K109 | K109-E149 PolarHBondContact NZ-O 3.01Š|
| 150 | G | 79.1 | Confident | 79.7 | Confident | 4 Ų | 4 | 51.1 Ų | 51.1 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 139.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M54 S55 N59 | M54-G150 CarbonylContact O-C 3.56Å; M54-G150 WeakPolarHBondContact O-CA 3.46Å; S55-G150 WeakPolarHBondContact O-CA 3.44Å; N59-G150 PolarHBondContact ND2-O 3.35Å; N59-G150 PolarHBondContact OD1-N 3.35Å |
| 151 | S | 87.9 | Confident | 80.9 | Confident | 42 Ų | 42 | 50 Ų | 50 | 29% | 0.294 | 26% | 0.256 | S | S | . | . | trans | -145.7 | 159.6 | 174.2 | 80.9 | 0 | 0 | 0 | 0 | 112.3 | M54 S55 K109 D110 | M54-S151 PolarHBondContact O-N 3.15Å; M54-S151 VanDerWaalsContact O-N 3.11Å; S55-S151 WeakPolarHBondContact CA-O 3.35Å; K109-S151 WeakPolarHBondContact CE-OG 3.21Å; K109-S151 WeakPolarHBondContact CG-O 3.45Å; K109-S151 PolarHBondContact NZ-OG 2.86Å; D110-S151 PolarHBondContact N-O 3.18Å; D110-S151 VanDerWaalsContact OD1-O 3.14Å; D110-S151 PolarHBondContact OD1-OG 3.02Å; D110-S151 PolarHBondContact OD2-OG 3.33Å | ||
| 152 | G | 90.6 | Very high | 82.1 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 65.8 | -158.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S55 A56 D110 | S55-G152 WeakPolarHBondContact CB-O 3.34Å; A56-G152 PolarHBondContact N-O 3.39Å; D110-G152 WeakPolarHBondContact OD1-CA 3.33Å; D110-G152 PolarHBondContact OD1-N 2.85Å |
| 153 | E | 92 | Very high | 83.4 | Confident | 92 Ų | 92 | 51.9 Ų | 51.9 | 43% | 0.43 | 26% | 0.263 | S | S | . | . | trans | -110.1 | 150.5 | -172.5 | -62.1 | 177.4 | 142.9 | 0 | 0 | 110.7 | K111 C188 | K111-E153 WeakPolarHBondContact CE-OE2 3.14Å; K111-E153 HydrophobicContact CG-CB 4.21Å; K111-E153 PolarHBondContact N-O 3.38Å; K111-E153 IonicContact NZ-OE2 3.64Å; K111-E153 PolarHBondContact NZ-OE2 3.18Å; E153-C188 HydrophobicContact CB-CB 4.02Å; E153-C188 PolarHBondContact OE2-SG 3.33Å | ||
| 154 | F | 93 | Very high | 84.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -75.7 | 141.4 | 174.6 | 179 | -108.8 | 0 | 0 | 0 | 110.2 | D53 V108 L156 V180 V182 C188 Y219 | D53-F154 HydrophobicContact CB-CD2 3.81Å; D53-F154 HydrophobicContact CB-CE2 4.07Å; V108-F154 HydrophobicContact CB-CD2 3.75Å; V108-F154 HydrophobicContact CB-CE2 3.75Å; V108-F154 HydrophobicContact CG1-CD2 3.63Å; V108-F154 HydrophobicContact CG1-CE2 3.89Å; V108-F154 HydrophobicContact CG1-CG 4.49Å; V108-F154 HydrophobicContact CG2-CD2 4.37Å; V108-F154 HydrophobicContact CG2-CE2 3.86Å; F154-L156 HydrophobicContact CD1-CB 4.47Å; F154-L156 HydrophobicContact CE1-CB 3.71Å; F154-L156 HydrophobicContact CE1-CD1 4.05Å; F154-L156 HydrophobicContact CE1-CG 4.41Å; F154-L156 HydrophobicContact CZ-CB 4.32Å; F154-L156 HydrophobicContact CZ-CD1 4.04Å; F154-V180 HydrophobicContact CZ-CG1 3.86Å; F154-V182 HydrophobicContact CD1-CG1 3.95Å; F154-V182 HydrophobicContact CE1-CG1 3.91Å; F154-V182 HydrophobicContact CE1-CG2 3.86Å; F154-V182 HydrophobicContact CE2-CG2 4.34Å; F154-V182 HydrophobicContact CG-CG1 4.39Å; F154-V182 HydrophobicContact CZ-CG1 4.34Å; F154-V182 HydrophobicContact CZ-CG2 3.69Å; F154-C188 PolarHBondContact O-N 2.77Å; F154-Y219 HydrophobicContact CE1-CE1 4.43Å | ||
| 155 | S | 95 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -126.7 | 109.5 | 169.5 | 173 | 0 | 0 | 0 | 0 | 109.9 | N158 S159 C188 D189 | S155-N158 WeakPolarHBondContact OG-CB 3.42Å; S155-N158 PolarHBondContact OG-N 3.17Å; S155-N158 PolarHBondContact OG-ND2 3.39Å; S155-S159 WeakPolarHBondContact O-CB 3.33Å; S155-S159 PolarHBondContact O-N 2.95Å; S155-C188 WeakPolarHBondContact CB-O 3.2Å; S155-D189 WeakPolarHBondContact CA-OD1 3.44Å; S155-D189 WeakPolarHBondContact CB-OD1 3.49Å; S155-D189 PolarHBondContact OG-OD1 3.18Å | ||
| 156 | L | 93.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 176.9 | -173.9 | 56.1 | 0 | 0 | 0 | 110.7 | F154 N158 S159 L160 V180 S187 D189 I193 V218 Y219 V222 | F154-L156 HydrophobicContact CD1-CB 4.47Å; F154-L156 HydrophobicContact CE1-CB 3.71Å; F154-L156 HydrophobicContact CE1-CD1 4.05Å; F154-L156 HydrophobicContact CE1-CG 4.41Å; F154-L156 HydrophobicContact CZ-CB 4.32Å; F154-L156 HydrophobicContact CZ-CD1 4.04Å; L156-N158 PolarHBondContact O-N 2.85Å; L156-S159 WeakPolarHBondContact O-CB 3.1Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3Å; L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CD2 4.38Å; L156-L160 HydrophobicContact CD1-CG 3.99Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.85Å; L156-V180 HydrophobicContact CD1-CG1 4.29Å; L156-S187 VanDerWaalsContact CB-OG 3.26Å; L156-S187 WeakPolarHBondContact CB-OG 3.48Å; L156-S187 PolarHBondContact N-OG 3.02Å; L156-D189 PolarHBondContact N-OD1 2.92Å; L156-I193 HydrophobicContact CB-CD1 4.06Å; L156-I193 HydrophobicContact CD2-CD1 3.61Å; L156-I193 HydrophobicContact CG-CD1 3.82Å; L156-V218 HydrophobicContact CD2-CG1 4.4Å; L156-Y219 HydrophobicContact CD2-CD1 3.61Å; L156-Y219 HydrophobicContact CD2-CE1 3.8Å; L156-V222 HydrophobicContact CD2-CG2 4.12Å |
| 157 | Q | 95.6 | Very high | 88.4 | Confident | 13 Ų | 13 | 40.4 Ų | 40.4 | 6% | 0.061 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.2 | -54.8 | -179.3 | 177.8 | 178.2 | -4.4 | 0 | 0 | 110.9 | S159 L160 E161 D189 G191 | Q157-S159 PolarHBondContact O-N 2.89Å; Q157-L160 PolarHBondContact O-N 3.1Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; Q157-E161 HydrophobicContact CG-CG 4.28Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.38Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 2.87Å; Q157-D189 HydrophobicContact CB-CB 3.65Å; Q157-D189 VanDerWaalsContact CB-CG 3.42Å; Q157-D189 VanDerWaalsContact CB-OD1 3.28Å; Q157-D189 WeakPolarHBondContact CB-OD1 3.3Å; Q157-D189 PolarHBondContact N-OD1 3.37Å; Q157-G191 PolarHBondContact OE1-O 2.9Å |
| 158 | N | 95.2 | Very high | 89.8 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 24% | 0.235 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -35.9 | -178.6 | -68.7 | -18.9 | 0 | 0 | 0 | 111.1 | K111 V113 S155 L156 M162 | K111-N158 PolarHBondContact O-ND2 2.85Å; V113-N158 VanDerWaalsContact CG2-C 3.41Å; V113-N158 HydrophobicContact CG2-CB 3.82Å; V113-N158 WeakPolarHBondContact CG2-O 3.22Å; S155-N158 WeakPolarHBondContact OG-CB 3.42Å; S155-N158 PolarHBondContact OG-N 3.17Å; S155-N158 PolarHBondContact OG-ND2 3.39Å; L156-N158 PolarHBondContact O-N 2.85Å; N158-M162 VanDerWaalsContact O-CB 3.29Å; N158-M162 WeakPolarHBondContact O-CB 3.5Å; N158-M162 PolarHBondContact O-N 2.8Å |
| 159 | S | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 177.4 | 82 | 0 | 0 | 0 | 0 | 112.9 | S155 L156 Q157 T163 | S155-S159 WeakPolarHBondContact O-CB 3.33Å; S155-S159 PolarHBondContact O-N 2.95Å; L156-S159 WeakPolarHBondContact O-CB 3.1Å; L156-S159 PolarHBondContact O-N 3.39Å; L156-S159 VanDerWaalsContact O-N 3.14Å; L156-S159 PolarHBondContact O-OG 3Å; Q157-S159 PolarHBondContact O-N 2.89Å; S159-T163 WeakPolarHBondContact O-CB 3.49Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.05Å |
| 160 | L | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.6 | -42.2 | 179.1 | -65.8 | 173.4 | 0 | 0 | 0 | 111 | L156 Q157 M162 T163 I164 T196 L200 V222 | L156-L160 HydrophobicContact CD1-CD1 3.91Å; L156-L160 HydrophobicContact CD1-CD2 4.38Å; L156-L160 HydrophobicContact CD1-CG 3.99Å; L156-L160 HydrophobicContact CD2-CD1 4.42Å; L156-L160 HydrophobicContact CG-CD1 3.73Å; L156-L160 HydrophobicContact CG-CG 4.23Å; L156-L160 VanDerWaalsContact O-CG 3.31Å; L156-L160 WeakPolarHBondContact O-CG 3.37Å; L156-L160 PolarHBondContact O-N 2.85Å; Q157-L160 PolarHBondContact O-N 3.1Å; Q157-L160 VanDerWaalsContact O-N 3.1Å; L160-M162 VanDerWaalsContact C-N 3.35Å; L160-M162 PolarHBondContact O-N 2.91Å; L160-T163 CarbonylContact O-C 3.55Å; L160-T163 WeakPolarHBondContact O-CA 3.38Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.08Å; L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.79Å; L160-T196 HydrophobicContact CB-CG2 3.73Å; L160-T196 HydrophobicContact CD1-CG2 4.46Å; L160-L200 HydrophobicContact CB-CD1 4.23Å; L160-L200 HydrophobicContact CD1-CD1 3.86Å; L160-L200 HydrophobicContact CD2-CD1 3.98Å; L160-L200 HydrophobicContact CG-CD1 4.22Å; L160-V222 HydrophobicContact CD1-CG1 4.08Å |
| 161 | E | 95 | Very high | 91.1 | Very high | 84 Ų | 84 | 34.6 Ų | 34.6 | 39% | 0.393 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.8 | -44.2 | 174 | -72.5 | -179.8 | -178.8 | 0 | 0 | 112 | Q157 T163 I164 S165 T196 | Q157-E161 HydrophobicContact CG-CG 4.28Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.38Å; Q157-E161 PolarHBondContact NE2-OE1 3.35Å; Q157-E161 WeakPolarHBondContact O-CG 3.41Å; Q157-E161 PolarHBondContact O-N 2.87Å; E161-T163 VanDerWaalsContact C-N 3.27Å; E161-T163 PolarHBondContact O-N 3.14Å; E161-I164 PolarHBondContact O-N 3.32Å; E161-S165 PolarHBondContact O-N 3.31Å; E161-T196 HydrophobicContact CG-CG2 4.01Å |
| 162 | M | 93.2 | Very high | 90.6 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 25% | 0.246 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59 | -43.1 | 173.2 | -177.1 | 58.3 | 70 | 0 | 0 | 110.8 | L106 V113 K115 N158 L160 S165 L166 | L106-M162 HydrophobicContact CD1-CB 4.33Å; L106-M162 HydrophobicContact CD1-CG 3.88Å; L106-M162 HydrophobicContact CD2-CG 4.43Å; V113-M162 HydrophobicContact CB-CB 4.35Å; V113-M162 HydrophobicContact CB-CG 4.48Å; V113-M162 HydrophobicContact CG1-CB 4.03Å; V113-M162 HydrophobicContact CG1-CG 3.91Å; K115-M162 HydrophobicContact CD-SD 4.42Å; K115-M162 WeakPolarHBondContact CE-SD 3.47Å; K115-M162 HydrophobicContact CG-SD 4.5Å; N158-M162 VanDerWaalsContact O-CB 3.29Å; N158-M162 WeakPolarHBondContact O-CB 3.5Å; N158-M162 PolarHBondContact O-N 2.8Å; L160-M162 VanDerWaalsContact C-N 3.35Å; L160-M162 PolarHBondContact O-N 2.91Å; M162-S165 WeakPolarHBondContact O-CB 3.36Å; M162-S165 PolarHBondContact O-N 2.96Å; M162-S165 PolarHBondContact O-OG 3.3Å; M162-L166 HydrophobicContact CG-CD1 4.34Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 2.85Å; M162-L166 VanDerWaalsContact O-N 3.13Å |
| 163 | T | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -42 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 112.4 | C49 S159 L160 E161 S165 L166 L167 V178 | C49-T163 HydrophobicContact CB-CG2 3.52Å; S159-T163 WeakPolarHBondContact O-CB 3.49Å; S159-T163 PolarHBondContact O-N 3.24Å; S159-T163 PolarHBondContact O-OG1 3.05Å; L160-T163 CarbonylContact O-C 3.55Å; L160-T163 WeakPolarHBondContact O-CA 3.38Å; L160-T163 WeakPolarHBondContact O-CB 3.45Å; L160-T163 PolarHBondContact O-N 3.09Å; L160-T163 VanDerWaalsContact O-N 3.08Å; E161-T163 VanDerWaalsContact C-N 3.27Å; E161-T163 PolarHBondContact O-N 3.14Å; T163-S165 VanDerWaalsContact C-N 3.29Å; T163-S165 PolarHBondContact O-N 2.89Å; T163-L166 PolarHBondContact O-N 2.84Å; T163-L166 VanDerWaalsContact O-N 3.12Å; T163-L167 HydrophobicContact CG2-CD1 3.57Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 PolarHBondContact O-N 2.87Å; T163-V178 HydrophobicContact CG2-CB 4.26Å; T163-V178 HydrophobicContact CG2-CG1 4.05Å; T163-V178 HydrophobicContact CG2-CG2 3.27Å |
| 164 | I | 93.9 | Very high | 89 | Confident | 23 Ų | 23 | 34.1 Ų | 34.1 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 171.6 | -66.8 | 163.5 | 0 | 0 | 0 | 109.7 | L160 E161 L166 L167 K168 T196 L200 I205 | L160-I164 VanDerWaalsContact O-CG1 3.3Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.79Å; E161-I164 PolarHBondContact O-N 3.32Å; I164-L166 PolarHBondContact O-N 2.73Å; I164-L167 PolarHBondContact O-N 2.97Å; I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.38Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.96Å; I164-T196 HydrophobicContact CD1-CG2 4.22Å; I164-L200 HydrophobicContact CD1-CD2 3.92Å; I164-L200 HydrophobicContact CD1-CG 4.04Å; I164-L200 HydrophobicContact CG1-CD2 3.58Å; I164-L200 HydrophobicContact CG1-CG 4.25Å; I164-I205 HydrophobicContact CB-CD1 4.38Å; I164-I205 HydrophobicContact CG1-CD1 3.94Å |
| 165 | S | 92.6 | Very high | 88.5 | Confident | 43 Ų | 43 | 36.2 Ų | 36.2 | 30% | 0.301 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.1 | -31.4 | 179.4 | 86.5 | 0 | 0 | 0 | 0 | 113.3 | E161 M162 T163 K168 | E161-S165 PolarHBondContact O-N 3.31Å; M162-S165 WeakPolarHBondContact O-CB 3.36Å; M162-S165 PolarHBondContact O-N 2.96Å; M162-S165 PolarHBondContact O-OG 3.3Å; T163-S165 VanDerWaalsContact C-N 3.29Å; T163-S165 PolarHBondContact O-N 2.89Å; S165-K168 WeakPolarHBondContact O-CE 3.23Å |
| 166 | L | 90.2 | Very high | 88.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -81.5 | -41.6 | 180 | -69.6 | 171 | 0 | 0 | 0 | 112.3 | L106 K115 F119 K122 M162 T163 I164 | L106-L166 HydrophobicContact CD1-CD1 4.18Å; L106-L166 HydrophobicContact CD2-CD1 3.99Å; K115-L166 HydrophobicContact CD-CD2 4.46Å; F119-L166 HydrophobicContact CD2-CB 4.29Å; F119-L166 HydrophobicContact CE2-CB 3.95Å; K122-L166 PolarHBondContact NZ-O 3.09Å; M162-L166 HydrophobicContact CG-CD1 4.34Å; M162-L166 WeakPolarHBondContact O-CG 3.39Å; M162-L166 PolarHBondContact O-N 2.85Å; M162-L166 VanDerWaalsContact O-N 3.13Å; T163-L166 PolarHBondContact O-N 2.84Å; T163-L166 VanDerWaalsContact O-N 3.12Å; I164-L166 PolarHBondContact O-N 2.73Å |
| 167 | L | 90 | Very high | 87.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -92.2 | -13.4 | -172.9 | -65.8 | 177.3 | 0 | 0 | 0 | 114.6 | Q47 C49 F119 T163 I164 D169 T170 R176 V178 I205 | Q47-L167 HydrophobicContact CB-CD2 3.81Å; C49-L167 HydrophobicContact CB-CD1 4.45Å; F119-L167 HydrophobicContact CE2-CD2 3.81Å; F119-L167 HydrophobicContact CE2-CG 4.49Å; F119-L167 HydrophobicContact CZ-CD2 3.65Å; T163-L167 HydrophobicContact CG2-CD1 3.57Å; T163-L167 HydrophobicContact CG2-CG 4.2Å; T163-L167 WeakPolarHBondContact O-CB 3.46Å; T163-L167 PolarHBondContact O-N 2.87Å; I164-L167 PolarHBondContact O-N 2.97Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.85Å; L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 WeakPolarHBondContact O-CB 3.49Å; L167-T170 PolarHBondContact O-N 2.86Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-T170 PolarHBondContact O-OG1 3.21Å; L167-R176 HydrophobicContact CB-CB 4.46Å; L167-R176 HydrophobicContact CB-CG 4.47Å; L167-R176 HydrophobicContact CD1-CB 4.17Å; L167-R176 PolarHBondContact O-NE 3.45Å; L167-V178 HydrophobicContact CD1-CG2 4.29Å; L167-I205 HydrophobicContact CB-CD1 4.04Å; L167-I205 HydrophobicContact CD1-CD1 4.34Å; L167-I205 HydrophobicContact CD1-CG1 4.47Å; L167-I205 HydrophobicContact CD1-CG2 4.15Å |
| 168 | K | 87.4 | Confident | 87.5 | Confident | 110 Ų | 110 | 38.4 Ų | 38.4 | 48% | 0.478 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -39 | 179.6 | 64.6 | -179.1 | -175.5 | 176.1 | 0 | 112.9 | I164 S165 T170 R176 | I164-K168 VanDerWaalsContact O-CB 3.23Å; I164-K168 WeakPolarHBondContact O-CB 3.38Å; I164-K168 WeakPolarHBondContact O-CG 3.3Å; I164-K168 PolarHBondContact O-N 2.96Å; S165-K168 WeakPolarHBondContact O-CE 3.23Å; K168-T170 PolarHBondContact O-N 2.89Å; K168-R176 PolarHBondContact O-NH2 2.76Å |
| 169 | D | 84.8 | Confident | 87 | Confident | 104 Ų | 104 | 37.5 Ų | 37.5 | 56% | 0.556 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.7 | -177.6 | -50.6 | -43.7 | 0 | 0 | 0 | 112.6 | K122 L167 | K122-D169 IonicContact NZ-OD2 2.72Å; K122-D169 PolarHBondContact NZ-OD2 2.79Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 2.85Å |
| 170 | T | 81.1 | Confident | 86.6 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.055 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -66.5 | 135.7 | -177.4 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | Q47 L167 K168 C174 R176 | Q47-T170 HydrophobicContact CB-CG2 4.49Å; Q47-T170 HydrophobicContact CG-CG2 4.05Å; Q47-T170 VanDerWaalsContact OE1-CB 3.3Å; Q47-T170 PolarHBondContact OE1-OG1 3Å; L167-T170 WeakPolarHBondContact CA-OG1 3.28Å; L167-T170 WeakPolarHBondContact O-CB 3.49Å; L167-T170 PolarHBondContact O-N 2.86Å; L167-T170 VanDerWaalsContact O-N 3.15Å; L167-T170 PolarHBondContact O-OG1 3.21Å; K168-T170 PolarHBondContact O-N 2.89Å; T170-C174 HydrophobicContact CG2-CB 3.53Å; T170-R176 HydrophobicContact CG2-CG 4.26Å; T170-R176 PolarHBondContact O-NH2 3.13Å |
| 171 | P | 79.7 | Confident | 86 | Confident | 63 Ų | 63 | 37.7 Ų | 37.7 | 41% | 0.409 | 20% | 0.2 | S | C | . | . | trans | -54.3 | 144.7 | 176.9 | -27 | 35.1 | 0 | 0 | 0 | 113.2 | H173 C174 | P171-H173 WeakPolarHBondContact CB-CE1 3.26Å; P171-H173 WeakPolarHBondContact CB-ND1 3.2Å; P171-H173 PolarHBondContact O-N 3.12Å; P171-C174 PolarHBondContact O-N 2.65Å | ||
| 172 | S | 77.4 | Confident | 85.5 | Confident | 74 Ų | 74 | 33.7 Ų | 33.7 | 52% | 0.517 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.2 | -174.8 | 66.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 173 | H | 71.9 | Confident | 84.9 | Confident | 72 Ų | 72 | 31.3 Ų | 31.3 | 33% | 0.333 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -13.1 | 177.6 | 59 | -97.1 | 0 | 0 | 0 | 112.7 | M45 P171 | M45-H173 WeakPolarHBondContact CE-CD2 3.33Å; M45-H173 WeakPolarHBondContact CE-NE2 3.34Å; P171-H173 WeakPolarHBondContact CB-CE1 3.26Å; P171-H173 WeakPolarHBondContact CB-ND1 3.2Å; P171-H173 PolarHBondContact O-N 3.12Å |
| 174 | C | 77.3 | Confident | 84.6 | Confident | 13 Ų | 13 | 32.3 Ų | 32.3 | 9% | 0.088 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -84.3 | 145 | 172.6 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | M45 Q47 T170 P171 | M45-C174 HydrophobicContact CB-CB 4.44Å; M45-C174 CarbonylContact O-C 3.58Å; M45-C174 WeakPolarHBondContact O-CA 3.33Å; M45-C174 WeakPolarHBondContact O-CB 3.14Å; Q47-C174 HydrophobicContact CG-CB 4.48Å; T170-C174 HydrophobicContact CG2-CB 3.53Å; P171-C174 PolarHBondContact O-N 2.65Å |
| 175 | I | 82.1 | Confident | 84.2 | Confident | 43 Ų | 43 | 36.6 Ų | 36.6 | 22% | 0.221 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.8 | 168.2 | -52.4 | -179.3 | 0 | 0 | 0 | 107.5 | Q44 M45 R46 Q47 E177 I206 | Q44-I175 HydrophobicContact CB-CD1 3.92Å; Q44-I175 HydrophobicContact CB-CG1 4.42Å; Q44-I175 HydrophobicContact CG-CD1 4.26Å; Q44-I175 VanDerWaalsContact OE1-CD1 3.23Å; M45-I175 PolarHBondContact O-N 3.45Å; R46-I175 HydrophobicContact CG-CB 4.43Å; Q47-I175 PolarHBondContact N-O 3.29Å; I175-E177 HydrophobicContact CB-CG 4.49Å; I175-E177 HydrophobicContact CG2-CG 3.59Å; I175-I206 HydrophobicContact CG2-CD1 4.21Å |
| 176 | R | 88.5 | Confident | 83.9 | Confident | 37 Ų | 37 | 36 Ų | 36 | 14% | 0.14 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 112.9 | -179.9 | -59.3 | 169.6 | -176.1 | -171.5 | -11.9 | 107.4 | L167 K168 T170 N203 I205 I206 | L167-R176 HydrophobicContact CB-CB 4.46Å; L167-R176 HydrophobicContact CB-CG 4.47Å; L167-R176 HydrophobicContact CD1-CB 4.17Å; L167-R176 PolarHBondContact O-NE 3.45Å; K168-R176 PolarHBondContact O-NH2 2.76Å; T170-R176 HydrophobicContact CG2-CG 4.26Å; T170-R176 PolarHBondContact O-NH2 3.13Å; R176-N203 PolarHBondContact NH1-O 3.24Å; R176-I205 HydrophobicContact CB-CB 4.48Å; R176-I205 HydrophobicContact CB-CG1 3.93Å; R176-I206 PolarHBondContact O-N 3.45Å |
| 177 | E | 85.9 | Confident | 83.9 | Confident | 22 Ų | 22 | 36.8 Ų | 36.8 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145.3 | -173.4 | -58.1 | -179.8 | 147.9 | 0 | 0 | 110.3 | R46 Q47 V48 C49 I175 I206 | R46-E177 IonicContact CZ-OE1 2.82Å; R46-E177 IonicContact CZ-OE2 2.52Å; R46-E177 IonicContact NE-OE1 3.96Å; R46-E177 IonicContact NE-OE2 3.2Å; R46-E177 PolarHBondContact NE-OE2 3.12Å; R46-E177 IonicContact NH2-OE1 3.71Å; R46-E177 IonicContact NH2-OE2 2.69Å; R46-E177 PolarHBondContact NH2-OE2 2.93Å; Q47-E177 PolarHBondContact O-N 2.81Å; V48-E177 CarbonylContact C-O 3.59Å; V48-E177 WeakPolarHBondContact CA-O 2.89Å; V48-E177 HydrophobicContact CG2-CB 4.27Å; V48-E177 WeakPolarHBondContact CG2-OE2 3.18Å; C49-E177 PolarHBondContact N-O 2.89Å; I175-E177 HydrophobicContact CB-CG 4.49Å; I175-E177 HydrophobicContact CG2-CG 3.59Å; E177-I206 CarbonylContact C-O 3.58Å; E177-I206 WeakPolarHBondContact CA-O 3.48Å |
| 178 | V | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.3 | 171.1 | -165.6 | 0 | 0 | 0 | 0 | 107.1 | C49 V51 T163 L167 V180 I205 I206 N208 | C49-V178 HydrophobicContact CB-CG1 4.42Å; C49-V178 CarbonylContact O-C 3.59Å; C49-V178 WeakPolarHBondContact O-CA 3.43Å; V51-V178 HydrophobicContact CG2-CG1 3.8Å; T163-V178 HydrophobicContact CG2-CB 4.26Å; T163-V178 HydrophobicContact CG2-CG1 4.05Å; T163-V178 HydrophobicContact CG2-CG2 3.27Å; L167-V178 HydrophobicContact CD1-CG2 4.29Å; V178-V180 HydrophobicContact CG1-CG2 3.81Å; V178-I205 HydrophobicContact CG2-CG2 3.39Å; V178-I206 PolarHBondContact N-O 3.32Å; V178-N208 PolarHBondContact O-N 3.35Å |
| 179 | L | 85.5 | Confident | 84.3 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.136 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 108.8 | 169.7 | 178.3 | 64.7 | 0 | 0 | 0 | 107.5 | C49 L50 V51 F90 N208 V210 | C49-L179 PolarHBondContact O-N 3.41Å; L50-L179 WeakPolarHBondContact CA-O 3.27Å; L50-L179 HydrophobicContact CD2-CB 3.76Å; L50-L179 HydrophobicContact CD2-CD2 3.71Å; L50-L179 HydrophobicContact CD2-CG 4.14Å; V51-L179 PolarHBondContact N-O 2.84Å; F90-L179 HydrophobicContact CE1-CD2 4.35Å; F90-L179 HydrophobicContact CE2-CD2 4.35Å; F90-L179 HydrophobicContact CZ-CD2 4.02Å; L179-N208 CarbonylContact C-O 3.57Å; L179-N208 VanDerWaalsContact CA-O 3.3Å; L179-N208 WeakPolarHBondContact CA-O 3.46Å; L179-N208 HydrophobicContact CD1-CB 3.85Å; L179-V210 HydrophobicContact CD1-CG2 3.83Å |
| 180 | V | 85.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.6 | -179.2 | -165.2 | 0 | 0 | 0 | 0 | 109 | V51 F154 L156 V178 V182 N208 L209 V210 | V51-V180 HydrophobicContact CB-CB 4.25Å; V51-V180 HydrophobicContact CB-CG1 3.93Å; V51-V180 HydrophobicContact CB-CG2 4.13Å; V51-V180 HydrophobicContact CG1-CG1 3.88Å; V51-V180 HydrophobicContact CG2-CG2 4.39Å; V51-V180 CarbonylContact O-C 3.55Å; V51-V180 WeakPolarHBondContact O-CA 3.01Å; F154-V180 HydrophobicContact CZ-CG1 3.86Å; L156-V180 HydrophobicContact CD1-CG1 4.29Å; V178-V180 HydrophobicContact CG1-CG2 3.81Å; V180-V182 HydrophobicContact CB-CG2 4.2Å; V180-V182 HydrophobicContact CG1-CG2 3.31Å; V180-N208 PolarHBondContact N-O 2.71Å; V180-L209 HydrophobicContact CB-CD2 4.41Å; V180-L209 HydrophobicContact CB-CG 4.1Å; V180-L209 HydrophobicContact CG2-CG 4.35Å; V180-L209 CarbonylContact O-C 3.59Å; V180-L209 WeakPolarHBondContact O-CA 3.41Å; V180-V210 PolarHBondContact O-N 2.89Å |
| 181 | V | 82.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.024 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 111.4 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 108.2 | V51 L52 D53 T71 I85 V210 | V51-V181 PolarHBondContact O-N 3.45Å; L52-V181 HydrophobicContact CD1-CB 4.32Å; D53-V181 VanDerWaalsContact CB-O 3.26Å; D53-V181 WeakPolarHBondContact CB-O 3.35Å; D53-V181 PolarHBondContact N-O 3.14Å; T71-V181 HydrophobicContact CG2-CB 4.41Å; T71-V181 HydrophobicContact CG2-CG1 3.7Å; I85-V181 HydrophobicContact CD1-CG1 3.96Å; V181-V210 WeakPolarHBondContact CA-O 3.45Å; V181-V210 HydrophobicContact CG2-CB 4.42Å |
| 182 | V | 84.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.3 | -171.8 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | D53 F154 V180 S184 V210 V211 L212 Y219 | D53-V182 HydrophobicContact CB-CG1 4.44Å; F154-V182 HydrophobicContact CD1-CG1 3.95Å; F154-V182 HydrophobicContact CE1-CG1 3.91Å; F154-V182 HydrophobicContact CE1-CG2 3.86Å; F154-V182 HydrophobicContact CE2-CG2 4.34Å; F154-V182 HydrophobicContact CG-CG1 4.39Å; F154-V182 HydrophobicContact CZ-CG1 4.34Å; F154-V182 HydrophobicContact CZ-CG2 3.69Å; V180-V182 HydrophobicContact CB-CG2 4.2Å; V180-V182 HydrophobicContact CG1-CG2 3.31Å; V182-S184 WeakPolarHBondContact CG1-O 3.28Å; V182-V210 PolarHBondContact N-O 2.94Å; V182-V211 WeakPolarHBondContact O-CA 3.3Å; V182-L212 PolarHBondContact O-N 2.8Å; V182-Y219 HydrophobicContact CB-CE2 4.26Å; V182-Y219 HydrophobicContact CG1-CE2 3.74Å; V182-Y219 WeakPolarHBondContact CG1-OH 3.29Å |
| 183 | G | 81.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -99.5 | -27 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D53 R67 S213 | D53-G183 PolarHBondContact OD2-N 3.07Å; R67-G183 PolarHBondContact NH1-O 2.66Å; G183-S213 WeakPolarHBondContact O-CB 3.41Å; G183-S213 PolarHBondContact O-OG 3.39Å | ||
| 184 | S | 87.4 | Confident | 87.5 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 14% | 0.14 | 21% | 0.211 | C | C | . | . | trans | -67.7 | 132.6 | 179.9 | -174.6 | 0 | 0 | 0 | 0 | 113.1 | D53 V182 G186 Y219 | D53-S184 WeakPolarHBondContact OD2-CB 3.3Å; D53-S184 PolarHBondContact OD2-N 3Å; V182-S184 WeakPolarHBondContact CG1-O 3.28Å; S184-G186 WeakPolarHBondContact CB-O 3.41Å; S184-G186 PolarHBondContact O-N 3.34Å; S184-G186 PolarHBondContact OG-N 3.3Å; S184-G186 PolarHBondContact OG-O 2.98Å; S184-Y219 WeakPolarHBondContact O-CE2 3.34Å; S184-Y219 PolarHBondContact O-OH 2.9Å | ||
| 185 | L | 84.9 | Confident | 88.3 | Confident | 113 Ų | 113 | 37.3 Ų | 37.3 | 59% | 0.592 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -70.5 | -4.9 | 172.9 | -74.4 | 171.7 | 0 | 0 | 0 | 113.9 | S213 A214 V216 | L185-S213 VanDerWaalsContact CD2-CB 3.46Å; L185-A214 HydrophobicContact CD2-CB 3.58Å; L185-V216 VanDerWaalsContact O-CG2 3.29Å; L185-V216 WeakPolarHBondContact O-CG2 3.39Å |
| 186 | G | 86.4 | Confident | 88.9 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -153.4 | 165 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S184 Y219 | S184-G186 WeakPolarHBondContact CB-O 3.41Å; S184-G186 PolarHBondContact O-N 3.34Å; S184-G186 PolarHBondContact OG-N 3.3Å; S184-G186 PolarHBondContact OG-O 2.98Å; G186-Y219 VanDerWaalsContact C-OH 3.3Å; G186-Y219 PolarHBondContact O-OH 3.03Å |
| 187 | S | 90.6 | Very high | 89.2 | Confident | 33 Ų | 33 | 33.7 Ų | 33.7 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | trans | -118.4 | 139.3 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | L156 D189 | L156-S187 VanDerWaalsContact CB-OG 3.26Å; L156-S187 WeakPolarHBondContact CB-OG 3.48Å; L156-S187 PolarHBondContact N-OG 3.02Å; S187-D189 WeakPolarHBondContact CB-OD2 3.37Å; S187-D189 PolarHBondContact OG-OD1 2.92Å; S187-D189 PolarHBondContact OG-OD2 3.5Å | ||
| 188 | C | 92.9 | Very high | 89.6 | Confident | 43 Ų | 43 | 37.6 Ų | 37.6 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | trans | -111.1 | 88.2 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 109.5 | K111 E153 F154 S155 | K111-C188 HydrophobicContact CD-CB 4.2Å; K111-C188 HydrophobicContact CG-CB 4.28Å; E153-C188 HydrophobicContact CB-CB 4.02Å; E153-C188 PolarHBondContact OE2-SG 3.33Å; F154-C188 PolarHBondContact O-N 2.77Å; S155-C188 WeakPolarHBondContact CB-O 3.2Å | ||
| 189 | D | 92.9 | Very high | 89.9 | Confident | 43 Ų | 43 | 39.8 Ų | 39.8 | 23% | 0.23 | 25% | 0.249 | C | C | . | . | trans | -104 | 145.1 | -171.7 | -64.2 | -44.1 | 0 | 0 | 0 | 112.2 | S155 L156 Q157 S187 | S155-D189 WeakPolarHBondContact CA-OD1 3.44Å; S155-D189 WeakPolarHBondContact CB-OD1 3.49Å; S155-D189 PolarHBondContact OG-OD1 3.18Å; L156-D189 PolarHBondContact N-OD1 2.92Å; Q157-D189 HydrophobicContact CB-CB 3.65Å; Q157-D189 VanDerWaalsContact CB-CG 3.42Å; Q157-D189 VanDerWaalsContact CB-OD1 3.28Å; Q157-D189 WeakPolarHBondContact CB-OD1 3.3Å; Q157-D189 PolarHBondContact N-OD1 3.37Å; S187-D189 WeakPolarHBondContact CB-OD2 3.37Å; S187-D189 PolarHBondContact OG-OD1 2.92Å; S187-D189 PolarHBondContact OG-OD2 3.5Å | ||
| 190 | P | 92.7 | Very high | 90.3 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 65% | 0.649 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -75.3 | -24.1 | -177.3 | 29.1 | -35.1 | 0 | 0 | 0 | 114.2 | ||
| 191 | G | 92 | Very high | 90.6 | Very high | 42 Ų | 42 | 42 Ų | 42 | 43% | 0.433 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -133.6 | -165.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113 | Q157 I193 | Q157-G191 PolarHBondContact OE1-O 2.9Å; G191-I193 PolarHBondContact O-N 3.47Å |
| 192 | D | 92.2 | Very high | 91.1 | Very high | 93 Ų | 93 | 49.3 Ų | 49.3 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | trans | -82.2 | 112.2 | 176.2 | -175.3 | -3.5 | 0 | 0 | 0 | 110.4 | T194 T195 | D192-T194 PolarHBondContact O-N 2.83Å; D192-T194 VanDerWaalsContact O-N 3.15Å; D192-T194 WeakPolarHBondContact OD1-CB 3.24Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.4Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.46Å; D192-T194 PolarHBondContact OD2-OG1 2.86Å; D192-T195 HydrophobicContact CB-CG2 4.45Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 PolarHBondContact O-OG1 2.9Å | ||
| 193 | I | 91.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.108 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.5 | -24.6 | 179.7 | -166.8 | 162.9 | 0 | 0 | 0 | 113.3 | L156 G191 T195 T196 I197 V218 V222 | L156-I193 HydrophobicContact CB-CD1 4.06Å; L156-I193 HydrophobicContact CD2-CD1 3.61Å; L156-I193 HydrophobicContact CG-CD1 3.82Å; G191-I193 PolarHBondContact O-N 3.47Å; I193-T195 VanDerWaalsContact C-N 3.27Å; I193-T195 PolarHBondContact O-N 3.36Å; I193-T196 WeakPolarHBondContact O-CA 3.38Å; I193-T196 WeakPolarHBondContact O-CB 3.47Å; I193-T196 PolarHBondContact O-N 2.94Å; I193-I197 HydrophobicContact CG1-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.27Å; I193-I197 PolarHBondContact O-N 3.27Å; I193-V218 HydrophobicContact CD1-CG1 3.75Å; I193-V218 HydrophobicContact CG2-CG1 4.02Å; I193-V222 HydrophobicContact CD1-CG2 4.23Å |
| 194 | T | 93.1 | Very high | 91.9 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 179.5 | 62.5 | 0 | 0 | 0 | 0 | 112.2 | D192 T196 I197 D198 | D192-T194 PolarHBondContact O-N 2.83Å; D192-T194 VanDerWaalsContact O-N 3.15Å; D192-T194 WeakPolarHBondContact OD1-CB 3.24Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.4Å; D192-T194 PolarHBondContact OD1-N 2.84Å; D192-T194 PolarHBondContact OD1-OG1 3.46Å; D192-T194 PolarHBondContact OD2-OG1 2.86Å; T194-T196 PolarHBondContact O-N 3.17Å; T194-I197 WeakPolarHBondContact O-CB 3.42Å; T194-I197 PolarHBondContact O-N 3.38Å; T194-I197 VanDerWaalsContact O-N 3.08Å; T194-D198 PolarHBondContact O-N 3.13Å |
| 195 | T | 94.3 | Very high | 92 | Very high | 74 Ų | 74 | 58 Ų | 58 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -33.3 | 174.5 | 66.3 | 0 | 0 | 0 | 0 | 112.8 | D192 I193 S199 | D192-T195 HydrophobicContact CB-CG2 4.45Å; D192-T195 PolarHBondContact O-N 3.48Å; D192-T195 PolarHBondContact O-OG1 2.9Å; I193-T195 VanDerWaalsContact C-N 3.27Å; I193-T195 PolarHBondContact O-N 3.36Å; T195-S199 PolarHBondContact O-N 2.87Å; T195-S199 VanDerWaalsContact O-N 3.13Å; T195-S199 PolarHBondContact O-OG 3.12Å |
| 196 | T | 94.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.3 | -35.5 | 175.9 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | L160 E161 I164 I193 T194 S199 L200 | L160-T196 HydrophobicContact CB-CG2 3.73Å; L160-T196 HydrophobicContact CD1-CG2 4.46Å; E161-T196 HydrophobicContact CG-CG2 4.01Å; I164-T196 HydrophobicContact CD1-CG2 4.22Å; I193-T196 WeakPolarHBondContact O-CA 3.38Å; I193-T196 WeakPolarHBondContact O-CB 3.47Å; I193-T196 PolarHBondContact O-N 2.94Å; T194-T196 PolarHBondContact O-N 3.17Å; T196-S199 WeakPolarHBondContact O-CB 3.45Å; T196-S199 PolarHBondContact O-N 3.24Å; T196-L200 WeakPolarHBondContact O-CG 3.44Å; T196-L200 PolarHBondContact O-N 2.98Å |
| 197 | I | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 174.3 | -59.6 | 167.6 | 0 | 0 | 0 | 110.5 | I193 T194 S199 L200 V201 K221 V222 E225 | I193-I197 HydrophobicContact CG1-CG1 4.44Å; I193-I197 WeakPolarHBondContact O-CG1 3.27Å; I193-I197 PolarHBondContact O-N 3.27Å; T194-I197 WeakPolarHBondContact O-CB 3.42Å; T194-I197 PolarHBondContact O-N 3.38Å; T194-I197 VanDerWaalsContact O-N 3.08Å; I197-S199 PolarHBondContact O-N 3.15Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 2.84Å; I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.8Å; I197-K221 HydrophobicContact CD1-CD 4.46Å; I197-K221 HydrophobicContact CD1-CG 4.36Å; I197-V222 HydrophobicContact CD1-CG2 3.63Å; I197-V222 HydrophobicContact CG1-CG2 3.78Å; I197-E225 HydrophobicContact CG2-CB 3.67Å; I197-E225 HydrophobicContact CG2-CG 4.49Å; I197-E225 WeakPolarHBondContact CG2-OE2 3.5Å |
| 198 | D | 95 | Very high | 91.6 | Very high | 104 Ų | 104 | 53.5 Ų | 53.5 | 56% | 0.556 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56.4 | -42.5 | 174.8 | -69.4 | -29 | 0 | 0 | 0 | 111.1 | T194 L200 V201 E202 | T194-D198 PolarHBondContact O-N 3.13Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-L200 PolarHBondContact O-N 2.79Å; D198-V201 PolarHBondContact O-N 3.37Å; D198-E202 WeakPolarHBondContact O-CB 3.43Å; D198-E202 PolarHBondContact O-N 2.95Å |
| 199 | S | 94.6 | Very high | 90.8 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 32% | 0.315 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 176.2 | -60.1 | 0 | 0 | 0 | 0 | 112.9 | T195 T196 I197 N203 | T195-S199 PolarHBondContact O-N 2.87Å; T195-S199 VanDerWaalsContact O-N 3.13Å; T195-S199 PolarHBondContact O-OG 3.12Å; T196-S199 WeakPolarHBondContact O-CB 3.45Å; T196-S199 PolarHBondContact O-N 3.24Å; I197-S199 PolarHBondContact O-N 3.15Å; S199-N203 WeakPolarHBondContact O-CB 3.14Å; S199-N203 PolarHBondContact O-N 2.77Å; S199-N203 VanDerWaalsContact O-N 3.07Å; S199-N203 PolarHBondContact O-ND2 2.88Å |
| 200 | L | 93.4 | Very high | 90 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -44 | 174.6 | -73.1 | 167.2 | 0 | 0 | 0 | 111.5 | L160 I164 T196 I197 D198 N203 R204 I205 V222 T226 | L160-L200 HydrophobicContact CB-CD1 4.23Å; L160-L200 HydrophobicContact CD1-CD1 3.86Å; L160-L200 HydrophobicContact CD2-CD1 3.98Å; L160-L200 HydrophobicContact CG-CD1 4.22Å; I164-L200 HydrophobicContact CD1-CD2 3.92Å; I164-L200 HydrophobicContact CD1-CG 4.04Å; I164-L200 HydrophobicContact CG1-CD2 3.58Å; I164-L200 HydrophobicContact CG1-CG 4.25Å; T196-L200 WeakPolarHBondContact O-CG 3.44Å; T196-L200 PolarHBondContact O-N 2.98Å; I197-L200 WeakPolarHBondContact O-CB 3.47Å; I197-L200 PolarHBondContact O-N 2.84Å; D198-L200 VanDerWaalsContact C-N 3.35Å; D198-L200 PolarHBondContact O-N 2.79Å; L200-N203 CarbonylContact O-C 3.55Å; L200-N203 PolarHBondContact O-N 2.85Å; L200-R204 PolarHBondContact O-N 3.06Å; L200-I205 HydrophobicContact CD2-CB 3.86Å; L200-I205 HydrophobicContact CD2-CD1 4.05Å; L200-I205 HydrophobicContact CD2-CG2 3.79Å; L200-I205 PolarHBondContact O-N 3.03Å; L200-V222 HydrophobicContact CD1-CG1 4.5Å; L200-T226 HydrophobicContact CB-CG2 3.78Å; L200-T226 HydrophobicContact CD1-CG2 4.02Å |
| 201 | V | 92.8 | Very high | 88.9 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 44% | 0.436 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 178.3 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | I197 D198 N203 R204 E225 T226 | I197-V201 WeakPolarHBondContact O-CG2 3.36Å; I197-V201 PolarHBondContact O-N 2.8Å; D198-V201 PolarHBondContact O-N 3.37Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 2.84Å; V201-R204 PolarHBondContact O-N 3.39Å; V201-E225 WeakPolarHBondContact CG2-O 3.39Å; V201-T226 HydrophobicContact CG2-CG2 4.44Å |
| 202 | E | 93.3 | Very high | 87.8 | Confident | 158 Ų | 158 | 44.3 Ų | 44.3 | 74% | 0.738 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.1 | -42.4 | 175.5 | -172 | 180 | -171.3 | 0 | 0 | 111.7 | D198 R204 | D198-E202 WeakPolarHBondContact O-CB 3.43Å; D198-E202 PolarHBondContact O-N 2.95Å; E202-R204 PolarHBondContact O-N 3.08Å |
| 203 | N | 91.6 | Very high | 86.8 | Confident | 40 Ų | 40 | 41.1 Ų | 41.1 | 21% | 0.214 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.3 | 177.5 | -75.6 | -78.8 | 0 | 0 | 0 | 114.1 | R176 S199 L200 V201 I205 | R176-N203 PolarHBondContact NH1-O 3.24Å; S199-N203 WeakPolarHBondContact O-CB 3.14Å; S199-N203 PolarHBondContact O-N 2.77Å; S199-N203 VanDerWaalsContact O-N 3.07Å; S199-N203 PolarHBondContact O-ND2 2.88Å; L200-N203 CarbonylContact O-C 3.55Å; L200-N203 PolarHBondContact O-N 2.85Å; V201-N203 VanDerWaalsContact C-N 3.31Å; V201-N203 PolarHBondContact O-N 2.84Å; N203-I205 VanDerWaalsContact C-N 3.26Å; N203-I205 HydrophobicContact CB-CD1 3.82Å; N203-I205 HydrophobicContact CB-CG1 3.96Å; N203-I205 PolarHBondContact O-N 2.98Å |
| 204 | R | 88.9 | Confident | 85.7 | Confident | 162 Ų | 162 | 42.9 Ų | 42.9 | 61% | 0.611 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 42.3 | -179.2 | -55.7 | 177.5 | 179.8 | 163.2 | 1.3 | 112.7 | L200 V201 E202 | L200-R204 PolarHBondContact O-N 3.06Å; V201-R204 PolarHBondContact O-N 3.39Å; E202-R204 PolarHBondContact O-N 3.08Å |
| 205 | I | 91 | Very high | 84.3 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 125 | 178 | -62.3 | 173.2 | 0 | 0 | 0 | 108.2 | I164 L167 R176 V178 L200 N203 T226 | I164-I205 HydrophobicContact CB-CD1 4.38Å; I164-I205 HydrophobicContact CG1-CD1 3.94Å; L167-I205 HydrophobicContact CB-CD1 4.04Å; L167-I205 HydrophobicContact CD1-CD1 4.34Å; L167-I205 HydrophobicContact CD1-CG1 4.47Å; L167-I205 HydrophobicContact CD1-CG2 4.15Å; R176-I205 HydrophobicContact CB-CB 4.48Å; R176-I205 HydrophobicContact CB-CG1 3.93Å; V178-I205 HydrophobicContact CG2-CG2 3.39Å; L200-I205 HydrophobicContact CD2-CB 3.86Å; L200-I205 HydrophobicContact CD2-CD1 4.05Å; L200-I205 HydrophobicContact CD2-CG2 3.79Å; L200-I205 PolarHBondContact O-N 3.03Å; N203-I205 VanDerWaalsContact C-N 3.26Å; N203-I205 HydrophobicContact CB-CD1 3.82Å; N203-I205 HydrophobicContact CB-CG1 3.96Å; N203-I205 PolarHBondContact O-N 2.98Å; I205-T226 WeakPolarHBondContact O-CB 3.39Å |
| 206 | I | 86.7 | Confident | 83.6 | Confident | 51 Ų | 51 | 43.9 Ų | 43.9 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.2 | 178.2 | -58.9 | 172.5 | 0 | 0 | 0 | 108.4 | I175 R176 E177 V178 | I175-I206 HydrophobicContact CG2-CD1 4.21Å; R176-I206 PolarHBondContact O-N 3.45Å; E177-I206 CarbonylContact C-O 3.58Å; E177-I206 WeakPolarHBondContact CA-O 3.48Å; V178-I206 PolarHBondContact N-O 3.32Å |
| 207 | C | 85.2 | Confident | 83.1 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 114.9 | -179.4 | -163.9 | 0 | 0 | 0 | 0 | 111 | L209 V222 T226 G228 | C207-L209 HydrophobicContact CB-CD1 4.45Å; C207-V222 HydrophobicContact CB-CG1 3.96Å; C207-T226 HydrophobicContact CB-CG2 4.13Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.25Å; C207-T226 PolarHBondContact N-OG1 2.97Å; C207-G228 WeakPolarHBondContact O-CA 3.41Å |
| 208 | N | 80.3 | Confident | 82.8 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.8 | 172.5 | -57.7 | -62.8 | 0 | 0 | 0 | 109.3 | V178 L179 V180 G228 A229 | V178-N208 PolarHBondContact O-N 3.35Å; L179-N208 CarbonylContact C-O 3.57Å; L179-N208 VanDerWaalsContact CA-O 3.3Å; L179-N208 WeakPolarHBondContact CA-O 3.46Å; L179-N208 HydrophobicContact CD1-CB 3.85Å; V180-N208 PolarHBondContact N-O 2.71Å; N208-G228 WeakPolarHBondContact OD1-CA 3.24Å; N208-A229 CarbonylContact C-O 3.6Å; N208-A229 VanDerWaalsContact CA-O 3.24Å; N208-A229 WeakPolarHBondContact CA-O 2.93Å; N208-A229 PolarHBondContact OD1-N 2.87Å |
| 209 | L | 76.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.6 | -178.9 | -72.2 | 92.7 | 0 | 0 | 0 | 110.6 | V180 C207 V211 Y219 V222 A223 A229 I230 F231 | V180-L209 HydrophobicContact CB-CD2 4.41Å; V180-L209 HydrophobicContact CB-CG 4.1Å; V180-L209 HydrophobicContact CG2-CG 4.35Å; V180-L209 CarbonylContact O-C 3.59Å; V180-L209 WeakPolarHBondContact O-CA 3.41Å; C207-L209 HydrophobicContact CB-CD1 4.45Å; L209-V211 HydrophobicContact CB-CG2 4.5Å; L209-Y219 HydrophobicContact CD2-CD1 4.12Å; L209-Y219 HydrophobicContact CD2-CG 3.91Å; L209-V222 HydrophobicContact CD1-CB 4.48Å; L209-V222 HydrophobicContact CD1-CG1 4.2Å; L209-A223 HydrophobicContact CD1-CB 3.91Å; L209-A229 PolarHBondContact N-O 2.72Å; L209-I230 HydrophobicContact CB-CD1 4.41Å; L209-I230 HydrophobicContact CB-CG1 4.18Å; L209-I230 CarbonylContact O-C 3.55Å; L209-I230 WeakPolarHBondContact O-CA 3.45Å; L209-F231 PolarHBondContact O-N 2.8Å |
| 210 | V | 75.7 | Confident | 81.6 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 15% | 0.145 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 112.7 | 168.1 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | I85 L179 V180 V181 V182 F231 | I85-V210 HydrophobicContact CD1-CB 4.3Å; I85-V210 HydrophobicContact CD1-CG1 3.33Å; L179-V210 HydrophobicContact CD1-CG2 3.83Å; V180-V210 PolarHBondContact O-N 2.89Å; V181-V210 WeakPolarHBondContact CA-O 3.45Å; V181-V210 HydrophobicContact CG2-CB 4.42Å; V182-V210 PolarHBondContact N-O 2.94Å; V210-F231 CarbonylContact C-O 3.59Å; V210-F231 WeakPolarHBondContact CA-O 3.47Å; V210-F231 HydrophobicContact CG2-CB 4.32Å; V210-F231 HydrophobicContact CG2-CD2 4.32Å |
| 211 | V | 70.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.7 | -175.9 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | V182 L209 A214 Y219 I230 F231 Q233 | V182-V211 WeakPolarHBondContact O-CA 3.3Å; L209-V211 HydrophobicContact CB-CG2 4.5Å; V211-A214 WeakPolarHBondContact CG1-O 3.27Å; V211-Y219 HydrophobicContact CG1-CD2 4.27Å; V211-Y219 HydrophobicContact CG2-CD2 3.75Å; V211-I230 HydrophobicContact CG2-CD1 4Å; V211-I230 HydrophobicContact CG2-CG1 4.19Å; V211-F231 PolarHBondContact N-O 2.79Å; V211-Q233 PolarHBondContact O-N 3.5Å |
| 212 | L | 69.2 | Low | 81.2 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -79.4 | -23.4 | 179.7 | -57.3 | -179.9 | 0 | 0 | 0 | 112.8 | M58 L63 R67 I85 V182 | M58-L212 HydrophobicContact CE-CD1 4.1Å; M58-L212 HydrophobicContact SD-CD1 3.81Å; L63-L212 HydrophobicContact CD1-CD1 4.4Å; L63-L212 HydrophobicContact CD1-CD2 4.26Å; R67-L212 HydrophobicContact CB-CD1 3.91Å; R67-L212 HydrophobicContact CG-CD1 4.23Å; I85-L212 HydrophobicContact CD1-CD2 3.32Å; I85-L212 HydrophobicContact CG1-CD2 4.09Å; V182-L212 PolarHBondContact O-N 2.8Å |
| 213 | S | 70.1 | Confident | 80.4 | Confident | 27 Ų | 27 | 41.6 Ų | 41.6 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -100.2 | -138.8 | -176.3 | -66.6 | 0 | 0 | 0 | 0 | 111 | R67 G183 L185 | R67-S213 PolarHBondContact NH1-OG 2.73Å; R67-S213 PolarHBondContact NH2-OG 3.11Å; G183-S213 WeakPolarHBondContact O-CB 3.41Å; G183-S213 PolarHBondContact O-OG 3.39Å; L185-S213 VanDerWaalsContact CD2-CB 3.46Å |
| 214 | A | 68 | Low | 79.9 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 47% | 0.471 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -86.5 | 164.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L185 V211 V216 | L185-A214 HydrophobicContact CD2-CB 3.58Å; V211-A214 WeakPolarHBondContact CG1-O 3.27Å; A214-V216 PolarHBondContact O-N 2.84Å |
| 215 | E | 65.5 | Low | 79.9 | Confident | 112 Ų | 112 | 42 Ų | 42 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | trans | -59.6 | 127.5 | 172.3 | -179 | 174.6 | -174 | 0 | 0 | 110.8 | K220 W232 | E215-K220 VanDerWaalsContact OE1-CD 3.29Å; E215-K220 WeakPolarHBondContact OE1-CD 3.49Å; E215-K220 IonicContact OE1-NZ 2.82Å; E215-K220 PolarHBondContact OE1-NZ 3.49Å; E215-W232 HydrophobicContact CB-CE3 4.35Å; E215-W232 HydrophobicContact CB-CH2 4.44Å; E215-W232 HydrophobicContact CB-CZ3 3.94Å; E215-W232 HydrophobicContact CG-CH2 3.79Å; E215-W232 HydrophobicContact CG-CZ3 3.67Å | ||
| 216 | V | 78.1 | Confident | 79.6 | Confident | 23 Ų | 23 | 42.6 Ų | 42.6 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | trans | -116.1 | 126.2 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | L185 A214 V218 Y219 K220 | L185-V216 VanDerWaalsContact O-CG2 3.29Å; L185-V216 WeakPolarHBondContact O-CG2 3.39Å; A214-V216 PolarHBondContact O-N 2.84Å; V216-V218 VanDerWaalsContact C-N 3.28Å; V216-V218 HydrophobicContact CG1-CB 4.43Å; V216-V218 PolarHBondContact O-N 3.04Å; V216-Y219 HydrophobicContact CB-CD1 4.48Å; V216-Y219 HydrophobicContact CB-CD2 3.47Å; V216-Y219 VanDerWaalsContact CB-CD2 3.47Å; V216-Y219 HydrophobicContact CB-CE2 3.78Å; V216-Y219 HydrophobicContact CB-CG 3.84Å; V216-Y219 HydrophobicContact CG1-CD1 4.35Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.42Å; V216-Y219 HydrophobicContact CG1-CE2 4.21Å; V216-Y219 HydrophobicContact CG1-CG 4.2Å; V216-Y219 HydrophobicContact CG2-CD2 3.73Å; V216-Y219 HydrophobicContact CG2-CE2 3.6Å; V216-Y219 PolarHBondContact O-N 2.96Å; V216-Y219 VanDerWaalsContact O-N 3.09Å; V216-K220 PolarHBondContact O-N 2.86Å | ||
| 217 | F | 83.7 | Confident | 79.1 | Confident | 158 Ų | 158 | 43 Ų | 43 | 69% | 0.693 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -52.3 | -44 | -177.2 | 175.6 | -100.2 | 0 | 0 | 0 | 113.1 | Y219 K220 K221 | F217-Y219 PolarHBondContact O-N 3.29Å; F217-K220 PolarHBondContact O-N 3.28Å; F217-K221 HydrophobicContact CE1-CD 4.36Å; F217-K221 WeakPolarHBondContact O-CB 3.26Å; F217-K221 PolarHBondContact O-N 3Å |
| 218 | V | 88.2 | Confident | 78.2 | Confident | 49 Ų | 49 | 44 Ų | 44 | 30% | 0.297 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.1 | -41.3 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | L156 I193 V216 K220 K221 V222 | L156-V218 HydrophobicContact CD2-CG1 4.4Å; I193-V218 HydrophobicContact CD1-CG1 3.75Å; I193-V218 HydrophobicContact CG2-CG1 4.02Å; V216-V218 VanDerWaalsContact C-N 3.28Å; V216-V218 HydrophobicContact CG1-CB 4.43Å; V216-V218 PolarHBondContact O-N 3.04Å; V218-K220 PolarHBondContact O-N 3.43Å; V218-K221 PolarHBondContact O-N 3.02Å; V218-V222 VanDerWaalsContact O-CG2 3.25Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.23Å |
| 219 | Y | 85.8 | Confident | 77.4 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 179.6 | -63.7 | -10.5 | 0 | 0 | 0 | 111.5 | F154 L156 V182 S184 G186 L209 V211 V216 F217 V222 A223 | F154-Y219 HydrophobicContact CE1-CE1 4.43Å; L156-Y219 HydrophobicContact CD2-CD1 3.61Å; L156-Y219 HydrophobicContact CD2-CE1 3.8Å; V182-Y219 HydrophobicContact CB-CE2 4.26Å; V182-Y219 HydrophobicContact CG1-CE2 3.74Å; V182-Y219 WeakPolarHBondContact CG1-OH 3.29Å; S184-Y219 WeakPolarHBondContact O-CE2 3.34Å; S184-Y219 PolarHBondContact O-OH 2.9Å; G186-Y219 VanDerWaalsContact C-OH 3.3Å; G186-Y219 PolarHBondContact O-OH 3.03Å; L209-Y219 HydrophobicContact CD2-CD1 4.12Å; L209-Y219 HydrophobicContact CD2-CG 3.91Å; V211-Y219 HydrophobicContact CG1-CD2 4.27Å; V211-Y219 HydrophobicContact CG2-CD2 3.75Å; V216-Y219 HydrophobicContact CB-CD1 4.48Å; V216-Y219 HydrophobicContact CB-CD2 3.47Å; V216-Y219 VanDerWaalsContact CB-CD2 3.47Å; V216-Y219 HydrophobicContact CB-CE2 3.78Å; V216-Y219 HydrophobicContact CB-CG 3.84Å; V216-Y219 HydrophobicContact CG1-CD1 4.35Å; V216-Y219 HydrophobicContact CG1-CD2 4.15Å; V216-Y219 HydrophobicContact CG1-CE1 4.42Å; V216-Y219 HydrophobicContact CG1-CE2 4.21Å; V216-Y219 HydrophobicContact CG1-CG 4.2Å; V216-Y219 HydrophobicContact CG2-CD2 3.73Å; V216-Y219 HydrophobicContact CG2-CE2 3.6Å; V216-Y219 PolarHBondContact O-N 2.96Å; V216-Y219 VanDerWaalsContact O-N 3.09Å; F217-Y219 PolarHBondContact O-N 3.29Å; Y219-V222 PolarHBondContact O-N 3.33Å; Y219-A223 PolarHBondContact O-N 3.13Å; Y219-A223 VanDerWaalsContact O-N 3.14Å |
| 220 | K | 78.7 | Confident | 76.5 | Confident | 65 Ų | 65 | 45.7 Ų | 45.7 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 175 | -176.9 | 177.1 | -167.2 | 164.2 | 0 | 111.8 | E215 V216 F217 V218 V222 A223 E224 I230 | E215-K220 VanDerWaalsContact OE1-CD 3.29Å; E215-K220 WeakPolarHBondContact OE1-CD 3.49Å; E215-K220 IonicContact OE1-NZ 2.82Å; E215-K220 PolarHBondContact OE1-NZ 3.49Å; V216-K220 PolarHBondContact O-N 2.86Å; F217-K220 PolarHBondContact O-N 3.28Å; V218-K220 PolarHBondContact O-N 3.43Å; K220-V222 VanDerWaalsContact C-N 3.33Å; K220-V222 PolarHBondContact O-N 3.18Å; K220-A223 PolarHBondContact O-N 3.23Å; K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 HydrophobicContact CG-CG 4.27Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.36Å; K220-E224 PolarHBondContact O-N 3.21Å; K220-I230 HydrophobicContact CB-CD1 4.31Å |
| 221 | K | 88.5 | Confident | 75.8 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 27% | 0.265 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.6 | -45.9 | 178.1 | -172.6 | 178.2 | 180 | -177 | 0 | 111.9 | I197 F217 V218 A223 E224 E225 | I197-K221 HydrophobicContact CD1-CD 4.46Å; I197-K221 HydrophobicContact CD1-CG 4.36Å; F217-K221 HydrophobicContact CE1-CD 4.36Å; F217-K221 WeakPolarHBondContact O-CB 3.26Å; F217-K221 PolarHBondContact O-N 3Å; V218-K221 PolarHBondContact O-N 3.02Å; K221-A223 PolarHBondContact O-N 2.73Å; K221-E224 PolarHBondContact O-N 3.26Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.33Å; K221-E225 WeakPolarHBondContact CG-OE1 3.39Å; K221-E225 IonicContact NZ-OE1 2.8Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 WeakPolarHBondContact O-CG 3.47Å; K221-E225 PolarHBondContact O-N 3.03Å |
| 222 | V | 89.2 | Confident | 75 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | L156 L160 I193 I197 L200 C207 L209 V218 Y219 K220 T226 | L156-V222 HydrophobicContact CD2-CG2 4.12Å; L160-V222 HydrophobicContact CD1-CG1 4.08Å; I193-V222 HydrophobicContact CD1-CG2 4.23Å; I197-V222 HydrophobicContact CD1-CG2 3.63Å; I197-V222 HydrophobicContact CG1-CG2 3.78Å; L200-V222 HydrophobicContact CD1-CG1 4.5Å; C207-V222 HydrophobicContact CB-CG1 3.96Å; L209-V222 HydrophobicContact CD1-CB 4.48Å; L209-V222 HydrophobicContact CD1-CG1 4.2Å; V218-V222 VanDerWaalsContact O-CG2 3.25Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.23Å; Y219-V222 PolarHBondContact O-N 3.33Å; K220-V222 VanDerWaalsContact C-N 3.33Å; K220-V222 PolarHBondContact O-N 3.18Å; V222-T226 WeakPolarHBondContact O-CB 3.39Å; V222-T226 VanDerWaalsContact O-CG2 3.29Å; V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.25Å |
| 223 | A | 77.2 | Confident | 74 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.2 | -48.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L209 Y219 K220 K221 T226 G227 G228 I230 | L209-A223 HydrophobicContact CD1-CB 3.91Å; Y219-A223 PolarHBondContact O-N 3.13Å; Y219-A223 VanDerWaalsContact O-N 3.14Å; K220-A223 PolarHBondContact O-N 3.23Å; K221-A223 PolarHBondContact O-N 2.73Å; A223-T226 PolarHBondContact O-OG1 3.15Å; A223-G227 PolarHBondContact O-N 3.43Å; A223-G228 CarbonylContact O-C 3.52Å; A223-G228 WeakPolarHBondContact O-CA 3.31Å; A223-G228 PolarHBondContact O-N 2.85Å; A223-I230 HydrophobicContact CB-CB 4.08Å |
| 224 | E | 80.9 | Confident | 72.3 | Confident | 125 Ų | 125 | 61.6 Ų | 61.6 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | -177.2 | -71.4 | 176.1 | 175 | 0 | 0 | 112.2 | K220 K221 T226 G227 | K220-E224 WeakPolarHBondContact CE-OE1 3.46Å; K220-E224 HydrophobicContact CG-CG 4.27Å; K220-E224 WeakPolarHBondContact CG-OE1 3.43Å; K220-E224 WeakPolarHBondContact O-CG 3.36Å; K220-E224 PolarHBondContact O-N 3.21Å; K221-E224 PolarHBondContact O-N 3.26Å; E224-T226 PolarHBondContact O-N 3.27Å; E224-G227 PolarHBondContact O-N 3.48Å |
| 225 | E | 88.2 | Confident | 70.5 | Confident | 86 Ų | 86 | 65.2 Ų | 65.2 | 40% | 0.402 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.9 | -29.5 | -178 | -71.4 | -176.4 | -177.5 | 0 | 0 | 112.8 | I197 V201 K221 G227 | I197-E225 HydrophobicContact CG2-CB 3.67Å; I197-E225 HydrophobicContact CG2-CG 4.49Å; I197-E225 WeakPolarHBondContact CG2-OE2 3.5Å; V201-E225 WeakPolarHBondContact CG2-O 3.39Å; K221-E225 WeakPolarHBondContact CE-OE1 3.36Å; K221-E225 HydrophobicContact CG-CG 4.33Å; K221-E225 WeakPolarHBondContact CG-OE1 3.39Å; K221-E225 IonicContact NZ-OE1 2.8Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 WeakPolarHBondContact O-CG 3.47Å; K221-E225 PolarHBondContact O-N 3.03Å; E225-G227 VanDerWaalsContact C-N 3.33Å |
| 226 | T | 84.6 | Confident | 68.8 | Low | 14 Ų | 14 | 67.3 Ų | 67.3 | 9% | 0.086 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.2 | 175.3 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | L200 V201 I205 C207 V222 A223 E224 G228 | L200-T226 HydrophobicContact CB-CG2 3.78Å; L200-T226 HydrophobicContact CD1-CG2 4.02Å; V201-T226 HydrophobicContact CG2-CG2 4.44Å; I205-T226 WeakPolarHBondContact O-CB 3.39Å; C207-T226 HydrophobicContact CB-CG2 4.13Å; C207-T226 VanDerWaalsContact CB-OG1 3.27Å; C207-T226 WeakPolarHBondContact CB-OG1 3.25Å; C207-T226 PolarHBondContact N-OG1 2.97Å; V222-T226 WeakPolarHBondContact O-CB 3.39Å; V222-T226 VanDerWaalsContact O-CG2 3.29Å; V222-T226 WeakPolarHBondContact O-CG2 3.47Å; V222-T226 PolarHBondContact O-N 3.42Å; V222-T226 PolarHBondContact O-OG1 3.25Å; A223-T226 PolarHBondContact O-OG1 3.15Å; E224-T226 PolarHBondContact O-N 3.27Å; T226-G228 VanDerWaalsContact C-N 3.28Å; T226-G228 PolarHBondContact O-N 3.29Å |
| 227 | G | 76 | Confident | 66.6 | Low | 60 Ų | 60 | 72.5 Ų | 72.5 | 62% | 0.619 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 20.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | A223 E224 E225 | A223-G227 PolarHBondContact O-N 3.43Å; E224-G227 PolarHBondContact O-N 3.48Å; E225-G227 VanDerWaalsContact C-N 3.33Å |
| 228 | G | 68 | Low | 64 | Low | 21 Ų | 21 | 71.5 Ų | 71.5 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | trans | -89.7 | -171.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C207 N208 A223 T226 | C207-G228 WeakPolarHBondContact O-CA 3.41Å; N208-G228 WeakPolarHBondContact OD1-CA 3.24Å; A223-G228 CarbonylContact O-C 3.52Å; A223-G228 WeakPolarHBondContact O-CA 3.31Å; A223-G228 PolarHBondContact O-N 2.85Å; T226-G228 VanDerWaalsContact C-N 3.28Å; T226-G228 PolarHBondContact O-N 3.29Å | ||
| 229 | A | 63.1 | Low | 61.1 | Low | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 40% | 0.404 | S | S | . | . | trans | -123.3 | 148.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | N208 L209 F231 | N208-A229 CarbonylContact C-O 3.6Å; N208-A229 VanDerWaalsContact CA-O 3.24Å; N208-A229 WeakPolarHBondContact CA-O 2.93Å; N208-A229 PolarHBondContact OD1-N 2.87Å; L209-A229 PolarHBondContact N-O 2.72Å; A229-F231 HydrophobicContact CB-CE1 4.45Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 3.65Å | ||
| 230 | I | 57.6 | Low | 58.5 | Low | 28 Ų | 28 | 82.5 Ų | 82.5 | 14% | 0.144 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 132.3 | 172.2 | -170.4 | 161 | 0 | 0 | 0 | 109.4 | L209 V211 K220 A223 W232 | L209-I230 HydrophobicContact CB-CD1 4.41Å; L209-I230 HydrophobicContact CB-CG1 4.18Å; L209-I230 CarbonylContact O-C 3.55Å; L209-I230 WeakPolarHBondContact O-CA 3.45Å; V211-I230 HydrophobicContact CG2-CD1 4Å; V211-I230 HydrophobicContact CG2-CG1 4.19Å; K220-I230 HydrophobicContact CB-CD1 4.31Å; A223-I230 HydrophobicContact CB-CB 4.08Å; I230-W232 HydrophobicContact CB-CH2 4.18Å; I230-W232 HydrophobicContact CB-CZ3 4.34Å; I230-W232 HydrophobicContact CD1-CE3 4.21Å; I230-W232 HydrophobicContact CD1-CH2 3.76Å; I230-W232 HydrophobicContact CD1-CZ3 3.34Å; I230-W232 HydrophobicContact CG1-CE3 3.97Å; I230-W232 HydrophobicContact CG1-CH2 3.81Å; I230-W232 HydrophobicContact CG1-CZ3 3.47Å; I230-W232 VanDerWaalsContact CG1-CZ3 3.47Å; I230-W232 HydrophobicContact CG2-CH2 3.32Å; I230-W232 HydrophobicContact CG2-CZ2 3.59Å; I230-W232 HydrophobicContact CG2-CZ3 3.97Å |
| 231 | F | 60.5 | Low | 56 | Low | 110 Ų | 110 | 86.4 Ų | 86.4 | 48% | 0.482 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 128 | -179.8 | -55.9 | -84 | 0 | 0 | 0 | 108.8 | L209 V210 V211 A229 | L209-F231 PolarHBondContact O-N 2.8Å; V210-F231 CarbonylContact C-O 3.59Å; V210-F231 WeakPolarHBondContact CA-O 3.47Å; V210-F231 HydrophobicContact CG2-CB 4.32Å; V210-F231 HydrophobicContact CG2-CD2 4.32Å; V211-F231 PolarHBondContact N-O 2.79Å; A229-F231 HydrophobicContact CB-CE1 4.45Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 3.65Å |
| 232 | W | 53.8 | Low | 53.3 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 36% | 0.356 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 144.3 | 170.6 | -13.5 | 97.5 | 0 | 0 | 0 | 107.6 | E215 I230 L234 | E215-W232 HydrophobicContact CB-CE3 4.35Å; E215-W232 HydrophobicContact CB-CH2 4.44Å; E215-W232 HydrophobicContact CB-CZ3 3.94Å; E215-W232 HydrophobicContact CG-CH2 3.79Å; E215-W232 HydrophobicContact CG-CZ3 3.67Å; I230-W232 HydrophobicContact CB-CH2 4.18Å; I230-W232 HydrophobicContact CB-CZ3 4.34Å; I230-W232 HydrophobicContact CD1-CE3 4.21Å; I230-W232 HydrophobicContact CD1-CH2 3.76Å; I230-W232 HydrophobicContact CD1-CZ3 3.34Å; I230-W232 HydrophobicContact CG1-CE3 3.97Å; I230-W232 HydrophobicContact CG1-CH2 3.81Å; I230-W232 HydrophobicContact CG1-CZ3 3.47Å; I230-W232 VanDerWaalsContact CG1-CZ3 3.47Å; I230-W232 HydrophobicContact CG2-CH2 3.32Å; I230-W232 HydrophobicContact CG2-CZ2 3.59Å; I230-W232 HydrophobicContact CG2-CZ3 3.97Å; W232-L234 PolarHBondContact O-N 2.9Å |
| 233 | Q | 47.4 | Very low | 50.4 | Low | 50 Ų | 50 | 94.6 Ų | 94.6 | 23% | 0.234 | 52% | 0.515 | C | S | . | . | trans | -66.4 | 100.4 | 171.7 | -168.5 | 172.7 | 12.3 | 0 | 0 | 109.8 | A83 V211 | A83-Q233 PolarHBondContact O-NE2 3.49Å; V211-Q233 PolarHBondContact O-N 3.5Å | ||
| 234 | L | 36.1 | Very low | 48.2 | Very low | 141 Ų | 141 | 101.9 Ų | 101.9 | 74% | 0.738 | 55% | 0.554 | S | S | * | * | trans | -95 | 131 | 167.8 | -77.6 | 157.3 | 0 | 0 | 0 | 107.9 | W232 D236 | W232-L234 PolarHBondContact O-N 2.9Å; L234-D236 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact O-N 3.17Å | ||
| 235 | N | 29.2 | Very low | 45.8 | Very low | 134 Ų | 134 | 99.7 Ų | 99.7 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | trans | -62.2 | 111.7 | 172.1 | -75.4 | -31.5 | 0 | 0 | 0 | 108.7 | ||||
| 236 | D | 30.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 83% | 0.834 | 57% | 0.569 | S | S | * | * | trans | -164.8 | 136.6 | 153.7 | -92.1 | -31.1 | 0 | 0 | 0 | 111.7 | L234 | L234-D236 PolarHBondContact O-N 3.36Å; L234-D236 VanDerWaalsContact O-N 3.17Å | ||
| 237 | N | 30.2 | Very low | 40.2 | Very low | 131 Ų | 131 | 105.1 Ų | 105.1 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | trans | -108.2 | 137.9 | -174.9 | -64.9 | -55.1 | 0 | 0 | 0 | 110.1 | ||||
| 238 | N | 29.1 | Very low | 37.8 | Very low | 137 Ų | 137 | 108.9 Ų | 108.9 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -156.6 | 116.6 | 147.1 | -96.6 | -7.5 | 0 | 0 | 0 | 109.5 | ||||
| 239 | H | 29 | Very low | 35.9 | Very low | 165 Ų | 165 | 116.5 Ų | 116.5 | 76% | 0.764 | 63% | 0.632 | S | S | * | * | trans | 54.2 | 151.1 | 144 | -45.1 | -53.2 | 0 | 0 | 0 | 119.9 | ||||
| 240 | S | 29.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | cis | -169.5 | 149.8 | -12.8 | 37.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 241 | M | 27.7 | Very low | 33.2 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 73% | 0.729 | 68% | 0.683 | S | S | * | * | trans | -86.6 | -165.6 | -173.3 | -62.2 | -92.1 | -77.5 | 0 | 0 | 113 | ||||
| 242 | P | 31.5 | Very low | 32.8 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 63% | 0.63 | 70% | 0.696 | S | S | * | * | cis | -144.9 | 172.8 | -5.5 | 18.2 | 10.6 | 0 | 0 | 0 | 119.1 | ||||
| 243 | D | 27.6 | Very low | 32.9 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | trans | 56.6 | 148 | 134.9 | -57.8 | -15.5 | 0 | 0 | 0 | 122.2 | ||||
| 244 | N | 31.2 | Very low | 33.5 | Very low | 154 Ų | 154 | 130.1 Ų | 130.1 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | cis | -169.6 | 160.9 | 2.1 | -179.4 | 54.1 | 0 | 0 | 0 | 106.5 | ||||
| 245 | P | 30.6 | Very low | 35 | Very low | 80 Ų | 80 | 128.2 Ų | 128.2 | 52% | 0.519 | 68% | 0.676 | S | S | . | * | trans | -103 | 164.3 | -160.6 | 39 | -29.6 | 0 | 0 | 0 | 114.6 | ||||
| 246 | D | 27.7 | Very low | 36.4 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 78% | 0.781 | 64% | 0.642 | S | S | * | * | trans | -148.7 | 140.9 | 151.4 | -87.5 | -40 | 0 | 0 | 0 | 110.8 | R136 | R136-D246 PolarHBondContact NH2-O 2.79Š| ||
| 247 | A | 27.2 | Very low | 38.2 | Very low | 67 Ų | 67 | 116.1 Ų | 116.1 | 55% | 0.554 | 61% | 0.613 | S | S | * | * | trans | -126.2 | 82.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 248 | N | 26.8 | Very low | 40.2 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 75% | 0.749 | 60% | 0.602 | S | S | * | * | trans | -69.8 | 137 | 168.1 | -79.7 | -44.2 | 0 | 0 | 0 | 110.5 | T250 | N248-T250 PolarHBondContact O-N 3.32Š| ||
| 249 | L | 26.7 | Very low | 42.5 | Very low | 180 Ų | 180 | 109.7 Ų | 109.7 | 94% | 0.942 | 58% | 0.578 | S | S | * | * | trans | -60.5 | 104.7 | 165.7 | -100.7 | 82 | 0 | 0 | 0 | 109.3 | ||||
| 250 | T | 29.4 | Very low | 44.4 | Very low | 98 Ų | 98 | 110.1 Ų | 110.1 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | trans | -90.3 | 131.9 | 175.1 | 43.3 | 0 | 0 | 0 | 0 | 111 | N248 Q252 | N248-T250 PolarHBondContact O-N 3.32Å; T250-Q252 PolarHBondContact O-N 2.91Å | ||
| 251 | R | 34.5 | Very low | 45.9 | Very low | 243 Ų | 243 | 105.9 Ų | 105.9 | 92% | 0.917 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -66.9 | -13.4 | 171.1 | -74.5 | 179.8 | 172.2 | -175.8 | -1.9 | 113 | K262 | R251-K262 PolarHBondContact O-NZ 2.91Å; R251-K262 VanDerWaalsContact O-NZ 3.14Å |
| 252 | Q | 52.3 | Low | 47.3 | Very low | 165 Ų | 165 | 104.2 Ų | 104.2 | 77% | 0.771 | 54% | 0.536 | S | S | * | . | trans | -89.5 | 142.4 | -179.3 | -64.9 | 179.7 | -0.2 | 0 | 0 | 110.5 | T250 | T250-Q252 PolarHBondContact O-N 2.91Š| ||
| 253 | G | 55.5 | Low | 48.6 | Very low | 17 Ų | 17 | 100.6 Ų | 100.6 | 18% | 0.175 | 51% | 0.51 | C | S | . | . | trans | -157.3 | 165.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y263 | G253-Y263 CarbonylContact C-O 3.39Å; G253-Y263 WeakPolarHBondContact CA-O 3.46Å | ||
| 254 | Y | 61.1 | Low | 49.8 | Very low | 82 Ų | 82 | 99.3 Ų | 99.3 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 135.8 | -174.6 | -57.2 | -84.6 | 0 | 0 | 0 | 110.4 | V29 K262 Y263 L266 | V29-Y254 HydrophobicContact CG1-CD1 4.05Å; Y254-K262 CarbonylContact O-C 3.58Å; Y254-K262 WeakPolarHBondContact O-CA 3.45Å; Y254-Y263 PolarHBondContact N-O 3.38Å; Y254-Y263 PolarHBondContact O-N 2.86Å; Y254-L266 HydrophobicContact CD1-CD1 3.42Å; Y254-L266 VanDerWaalsContact CD1-CD1 3.42Å; Y254-L266 HydrophobicContact CD1-CG 3.95Å; Y254-L266 HydrophobicContact CD2-CD1 4.08Å; Y254-L266 HydrophobicContact CD2-CD2 4.41Å; Y254-L266 HydrophobicContact CD2-CG 3.64Å; Y254-L266 HydrophobicContact CE1-CD1 3.77Å; Y254-L266 HydrophobicContact CE1-CG 4.34Å; Y254-L266 HydrophobicContact CE2-CD1 4.37Å; Y254-L266 HydrophobicContact CE2-CG 4.06Å; Y254-L266 HydrophobicContact CG-CD1 3.57Å; Y254-L266 HydrophobicContact CG-CD2 4.16Å; Y254-L266 HydrophobicContact CG-CG 3.56Å |
| 255 | Y | 66.6 | Low | 51.2 | Low | 101 Ų | 101 | 94.5 Ų | 94.5 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 134.6 | 176.4 | -67.5 | -90.6 | 0 | 0 | 0 | 110.5 | S261 K262 | Y255-S261 CarbonylContact C-O 3.53Å; Y255-S261 WeakPolarHBondContact CA-O 3.41Å; Y255-K262 HydrophobicContact CD1-CB 4.11Å; Y255-K262 HydrophobicContact CD1-CG 4.47Å; Y255-K262 HydrophobicContact CE1-CB 3.89Å; Y255-K262 HydrophobicContact CE1-CD 4.24Å; Y255-K262 HydrophobicContact CE1-CG 4.1Å |
| 256 | C | 59.6 | Low | 52.6 | Low | 1 Ų | 1 | 91.5 Ų | 91.5 | 1% | 0.007 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 133.3 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 110 | Q258 C259 K260 S261 Y263 C270 L277 | C256-Q258 VanDerWaalsContact C-N 3.32Å; C256-Q258 PolarHBondContact O-N 2.94Å; C256-Q258 PolarHBondContact SG-N 2.87Å; C256-Q258 VanDerWaalsContact SG-N 3.41Å; C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 PolarHBondContact SG-N 2.82Å; C256-C259 PolarHBondContact SG-SG 2.91Å; C256-K260 WeakPolarHBondContact O-CA 3.29Å; C256-K260 PolarHBondContact O-N 3.25Å; C256-S261 PolarHBondContact N-O 2.84Å; C256-Y263 HydrophobicContact CB-CE2 3.98Å; C256-C270 HydrophobicContact CB-CB 4.01Å; C256-C270 VanDerWaalsContact SG-CB 3.54Å; C256-L277 HydrophobicContact CB-CD1 3.76Å; C256-L277 HydrophobicContact CB-CD2 4.1Å |
| 257 | P | 68.7 | Low | 54.4 | Low | 36 Ų | 36 | 86.2 Ų | 86.2 | 23% | 0.234 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.6 | -179.6 | 29.9 | -38.4 | 0 | 0 | 0 | 115 | V35 F37 L275 L277 | V35-P257 HydrophobicContact CB-CB 3.91Å; V35-P257 HydrophobicContact CG1-CB 3.23Å; V35-P257 HydrophobicContact CG1-CG 3.63Å; V35-P257 HydrophobicContact CG2-CB 3.56Å; V35-P257 HydrophobicContact CG2-CG 4.48Å; F37-P257 HydrophobicContact CE1-CG 4.1Å; F37-P257 HydrophobicContact CZ-CB 3.99Å; F37-P257 HydrophobicContact CZ-CG 3.93Å; P257-L275 HydrophobicContact CG-CD2 3.47Å; P257-L275 VanDerWaalsContact CG-CD2 3.47Å; P257-L277 VanDerWaalsContact CD-CD2 3.48Å; P257-L277 HydrophobicContact CG-CD2 4.39Å |
| 258 | Q | 71.5 | Confident | 56.1 | Low | 101 Ų | 101 | 83.4 Ų | 83.4 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -49.2 | -175.5 | 178.8 | 172.9 | -29.9 | 0 | 0 | 111.1 | C256 C273 L275 | C256-Q258 VanDerWaalsContact C-N 3.32Å; C256-Q258 PolarHBondContact O-N 2.94Å; C256-Q258 PolarHBondContact SG-N 2.87Å; C256-Q258 VanDerWaalsContact SG-N 3.41Å; Q258-C273 HydrophobicContact CG-CB 4.05Å; Q258-L275 HydrophobicContact CB-CD2 4.12Å |
| 259 | C | 77.4 | Confident | 57.9 | Low | 32 Ų | 32 | 79.9 Ų | 79.9 | 22% | 0.216 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -10.1 | -174.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | C256 S261 C270 V272 C273 | C256-C259 WeakPolarHBondContact CB-SG 3.4Å; C256-C259 PolarHBondContact SG-N 2.82Å; C256-C259 PolarHBondContact SG-SG 2.91Å; C259-S261 PolarHBondContact O-N 2.91Å; C259-S261 PolarHBondContact SG-OG 2.87Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 WeakPolarHBondContact SG-CB 3.34Å; C259-C270 CovalentContact SG-SG 2.11Å; C259-C270 PolarHBondContact SG-SG 3.21Å; C259-V272 HydrophobicContact CB-CB 3.67Å; C259-V272 HydrophobicContact CB-CG1 3.79Å; C259-C273 HydrophobicContact CB-CB 3.91Å |
| 260 | K | 70.1 | Confident | 59.4 | Low | 173 Ų | 173 | 71.3 Ų | 71.3 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | trans | 56.3 | 12.2 | -173.4 | -60.8 | -177 | 180 | 178.6 | 0 | 115.5 | C256 | C256-K260 WeakPolarHBondContact O-CA 3.29Å; C256-K260 PolarHBondContact O-N 3.25Å | ||
| 261 | S | 60.8 | Low | 61 | Low | 28 Ų | 28 | 71.6 Ų | 71.6 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | trans | -70.3 | 146 | 172.7 | 61 | 0 | 0 | 0 | 0 | 111.2 | Y255 C256 C259 Y263 C270 | Y255-S261 CarbonylContact C-O 3.53Å; Y255-S261 WeakPolarHBondContact CA-O 3.41Å; C256-S261 PolarHBondContact N-O 2.84Å; C259-S261 PolarHBondContact O-N 2.91Å; C259-S261 PolarHBondContact SG-OG 2.87Å; S261-Y263 WeakPolarHBondContact O-CE2 3.37Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.1Å; S261-Y263 PolarHBondContact OG-OH 3.42Å; S261-C270 PolarHBondContact OG-SG 3.14Å; S261-C270 VanDerWaalsContact OG-SG 3.41Å | ||
| 262 | K | 57.5 | Low | 62.7 | Low | 112 Ų | 112 | 65.3 Ų | 65.3 | 49% | 0.487 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 135.5 | -177 | -170.9 | 179.8 | 179.6 | -179.4 | 0 | 110.5 | R251 Y254 Y255 | R251-K262 PolarHBondContact O-NZ 2.91Å; R251-K262 VanDerWaalsContact O-NZ 3.14Å; Y254-K262 CarbonylContact O-C 3.58Å; Y254-K262 WeakPolarHBondContact O-CA 3.45Å; Y255-K262 HydrophobicContact CD1-CB 4.11Å; Y255-K262 HydrophobicContact CD1-CG 4.47Å; Y255-K262 HydrophobicContact CE1-CB 3.89Å; Y255-K262 HydrophobicContact CE1-CD 4.24Å; Y255-K262 HydrophobicContact CE1-CG 4.1Å |
| 263 | Y | 58.3 | Low | 63.5 | Low | 21 Ų | 21 | 59.3 Ų | 59.3 | 8% | 0.082 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.5 | 177.1 | -64.5 | -91.6 | 0 | 0 | 0 | 109.9 | G253 Y254 C256 S261 T268 C270 R271 L277 | G253-Y263 CarbonylContact C-O 3.39Å; G253-Y263 WeakPolarHBondContact CA-O 3.46Å; Y254-Y263 PolarHBondContact N-O 3.38Å; Y254-Y263 PolarHBondContact O-N 2.86Å; C256-Y263 HydrophobicContact CB-CE2 3.98Å; S261-Y263 WeakPolarHBondContact O-CE2 3.37Å; S261-Y263 WeakPolarHBondContact OG-CE2 3.1Å; S261-Y263 PolarHBondContact OG-OH 3.42Å; Y263-T268 HydrophobicContact CD1-CG2 3.51Å; Y263-T268 HydrophobicContact CD2-CG2 4.27Å; Y263-T268 HydrophobicContact CE1-CG2 4.18Å; Y263-T268 HydrophobicContact CG-CG2 3.61Å; Y263-C270 HydrophobicContact CE2-CB 4.15Å; Y263-C270 WeakPolarHBondContact OH-CA 3.16Å; Y263-C270 PolarHBondContact OH-SG 3.33Å; Y263-R271 PolarHBondContact OH-N 2.65Å; Y263-L277 HydrophobicContact CD2-CD1 3.41Å; Y263-L277 VanDerWaalsContact CD2-CD1 3.41Å; Y263-L277 HydrophobicContact CE2-CD1 3.62Å; Y263-L277 HydrophobicContact CG-CD1 4.13Å |
| 264 | C | 52.1 | Low | 63.9 | Low | 109 Ų | 109 | 60.3 Ų | 60.3 | 74% | 0.736 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -79.8 | -30.6 | -179.3 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | ||
| 265 | S | 60.6 | Low | 64.1 | Low | 53 Ų | 53 | 56.9 Ų | 56.9 | 37% | 0.371 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -141 | 147 | -176.5 | 57.7 | 0 | 0 | 0 | 0 | 111.2 | ||
| 266 | L | 61 | Low | 64.2 | Low | 17 Ų | 17 | 54 Ų | 54 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -105.7 | 155.4 | 164.6 | -61.3 | 176.1 | 0 | 0 | 0 | 107.9 | V29 Y254 T268 L277 H282 | V29-L266 HydrophobicContact CB-CD1 3.9Å; Y254-L266 HydrophobicContact CD1-CD1 3.42Å; Y254-L266 VanDerWaalsContact CD1-CD1 3.42Å; Y254-L266 HydrophobicContact CD1-CG 3.95Å; Y254-L266 HydrophobicContact CD2-CD1 4.08Å; Y254-L266 HydrophobicContact CD2-CD2 4.41Å; Y254-L266 HydrophobicContact CD2-CG 3.64Å; Y254-L266 HydrophobicContact CE1-CD1 3.77Å; Y254-L266 HydrophobicContact CE1-CG 4.34Å; Y254-L266 HydrophobicContact CE2-CD1 4.37Å; Y254-L266 HydrophobicContact CE2-CG 4.06Å; Y254-L266 HydrophobicContact CG-CD1 3.57Å; Y254-L266 HydrophobicContact CG-CD2 4.16Å; Y254-L266 HydrophobicContact CG-CG 3.56Å; L266-T268 HydrophobicContact CD2-CG2 3.93Å; L266-L277 HydrophobicContact CD2-CB 3.45Å; L266-L277 VanDerWaalsContact CD2-CB 3.45Å; L266-L277 HydrophobicContact CD2-CD1 4.42Å; L266-H282 PolarHBondContact O-CE1 3.37Å |
| 267 | P | 64.1 | Low | 64.4 | Low | 35 Ų | 35 | 53.9 Ų | 53.9 | 23% | 0.227 | 30% | 0.295 | C | S | . | . | S | Bend | cis | -80.8 | 147.9 | -3.4 | 31.1 | -29.8 | 0 | 0 | 0 | 112.9 | P99 L277 I278 | P99-P267 HydrophobicContact CB-CG 4.15Å; P99-P267 WeakPolarHBondContact O-CG 3.48Å; P267-L277 CarbonylContact C-O 3.55Å; P267-L277 WeakPolarHBondContact CA-O 3.31Å; P267-I278 HydrophobicContact CB-CB 4.42Å; P267-I278 HydrophobicContact CB-CG2 3.91Å |
| 268 | T | 63.2 | Low | 64.3 | Low | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.043 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.4 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | L132 Y263 L266 L277 | L132-T268 WeakPolarHBondContact CD1-OG1 3.26Å; L132-T268 WeakPolarHBondContact CD2-OG1 3.19Å; Y263-T268 HydrophobicContact CD1-CG2 3.51Å; Y263-T268 HydrophobicContact CD2-CG2 4.27Å; Y263-T268 HydrophobicContact CE1-CG2 4.18Å; Y263-T268 HydrophobicContact CG-CG2 3.61Å; L266-T268 HydrophobicContact CD2-CG2 3.93Å; T268-L277 HydrophobicContact CG2-CB 3.89Å; T268-L277 HydrophobicContact CG2-CD1 3.83Å; T268-L277 HydrophobicContact CG2-CG 4.15Å; T268-L277 PolarHBondContact N-O 2.8Å; T268-L277 WeakPolarHBondContact O-CA 3.44Å; T268-L277 WeakPolarHBondContact O-CB 3.3Å; T268-L277 PolarHBondContact O-N 2.92Å |
| 269 | E | 63.9 | Low | 64 | Low | 66 Ų | 66 | 47.9 Ų | 47.9 | 31% | 0.308 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 133 | 164.5 | -166.7 | -177.5 | 158 | 0 | 0 | 111.1 | R271 G274 I276 | E269-R271 PolarHBondContact O-N 3Å; E269-G274 WeakPolarHBondContact CG-O 3.48Å; E269-I276 HydrophobicContact CG-CG1 4.33Å |
| 270 | C | 58.4 | Low | 63.5 | Low | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -66.9 | 119.2 | 173.5 | 165 | 0 | 0 | 0 | 0 | 109.2 | C256 C259 S261 Y263 V272 C273 G274 L275 L277 | C256-C270 HydrophobicContact CB-CB 4.01Å; C256-C270 VanDerWaalsContact SG-CB 3.54Å; C259-C270 WeakPolarHBondContact CB-SG 3.34Å; C259-C270 WeakPolarHBondContact SG-CB 3.34Å; C259-C270 CovalentContact SG-SG 2.11Å; C259-C270 PolarHBondContact SG-SG 3.21Å; S261-C270 PolarHBondContact OG-SG 3.14Å; S261-C270 VanDerWaalsContact OG-SG 3.41Å; Y263-C270 HydrophobicContact CE2-CB 4.15Å; Y263-C270 WeakPolarHBondContact OH-CA 3.16Å; Y263-C270 PolarHBondContact OH-SG 3.33Å; C270-V272 PolarHBondContact O-N 3.26Å; C270-V272 PolarHBondContact SG-N 3.46Å; C270-C273 PolarHBondContact O-N 2.8Å; C270-C273 PolarHBondContact SG-N 3.1Å; C270-C273 PolarHBondContact SG-SG 2.92Å; C270-G274 VanDerWaalsContact O-CA 3.23Å; C270-G274 WeakPolarHBondContact O-CA 2.72Å; C270-G274 PolarHBondContact O-N 3.36Å; C270-L275 PolarHBondContact N-O 2.78Å; C270-L277 HydrophobicContact CB-CD1 4.49Å | ||
| 271 | R | 64 | Low | 63.1 | Low | 105 Ų | 105 | 48.2 Ų | 48.2 | 40% | 0.396 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -19.6 | -179.9 | -59.4 | -57.1 | -175.5 | 129.5 | 1.6 | 114.7 | G121 Y263 E269 | G121-R271 VanDerWaalsContact CA-CZ 3.49Å; G121-R271 VanDerWaalsContact N-NH2 3.19Å; G121-R271 PolarHBondContact O-NH1 2.79Å; Y263-R271 PolarHBondContact OH-N 2.65Å; E269-R271 PolarHBondContact O-N 3Å |
| 272 | V | 69.2 | Low | 63.3 | Low | 110 Ų | 110 | 48.7 Ų | 48.7 | 67% | 0.667 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -31.4 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | C259 C270 | C259-V272 HydrophobicContact CB-CB 3.67Å; C259-V272 HydrophobicContact CB-CG1 3.79Å; C270-V272 PolarHBondContact O-N 3.26Å; C270-V272 PolarHBondContact SG-N 3.46Å |
| 273 | C | 70.3 | Confident | 63.6 | Low | 40 Ų | 40 | 44.8 Ų | 44.8 | 27% | 0.27 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.4 | 1.3 | -172.8 | 76.7 | 0 | 0 | 0 | 0 | 116.3 | Q258 C259 C270 L275 | Q258-C273 HydrophobicContact CG-CB 4.05Å; C259-C273 HydrophobicContact CB-CB 3.91Å; C270-C273 PolarHBondContact O-N 2.8Å; C270-C273 PolarHBondContact SG-N 3.1Å; C270-C273 PolarHBondContact SG-SG 2.92Å; C273-L275 VanDerWaalsContact C-N 3.25Å; C273-L275 PolarHBondContact O-N 3.32Å |
| 274 | G | 63.6 | Low | 64 | Low | 38 Ų | 38 | 46.5 Ų | 46.5 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | trans | 72.5 | 5.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | E269 C270 I276 | E269-G274 WeakPolarHBondContact CG-O 3.48Å; C270-G274 VanDerWaalsContact O-CA 3.23Å; C270-G274 WeakPolarHBondContact O-CA 2.72Å; C270-G274 PolarHBondContact O-N 3.36Å; G274-I276 PolarHBondContact O-N 2.73Å | ||
| 275 | L | 64.9 | Low | 64.7 | Low | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.052 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 125 | -176.7 | -177.3 | 70.8 | 0 | 0 | 0 | 111 | R25 F37 P257 Q258 C270 C273 L277 | R25-L275 HydrophobicContact CG-CD1 4.2Å; R25-L275 VanDerWaalsContact O-CD1 3.28Å; R25-L275 WeakPolarHBondContact O-CD1 3.38Å; F37-L275 HydrophobicContact CE1-CD2 3.88Å; P257-L275 HydrophobicContact CG-CD2 3.47Å; P257-L275 VanDerWaalsContact CG-CD2 3.47Å; Q258-L275 HydrophobicContact CB-CD2 4.12Å; C270-L275 PolarHBondContact N-O 2.78Å; C273-L275 VanDerWaalsContact C-N 3.25Å; C273-L275 PolarHBondContact O-N 3.32Å; L275-L277 HydrophobicContact CD2-CD2 4.06Å; L275-L277 HydrophobicContact CG-CD2 4.26Å; L275-L277 PolarHBondContact O-N 3.46Å |
| 276 | I | 69 | Low | 64.9 | Low | 39 Ų | 39 | 44 Ų | 44 | 20% | 0.2 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 120 | 173.2 | -63.2 | 159.6 | 0 | 0 | 0 | 110 | L26 G27 M45 E269 G274 I278 | L26-I276 HydrophobicContact CD2-CB 4.01Å; L26-I276 HydrophobicContact CD2-CG2 3.81Å; G27-I276 PolarHBondContact N-O 3.26Å; M45-I276 HydrophobicContact CE-CD1 3.86Å; M45-I276 HydrophobicContact SD-CD1 3.39Å; M45-I276 WeakPolarHBondContact SD-CD1 3.13Å; E269-I276 HydrophobicContact CG-CG1 4.33Å; G274-I276 PolarHBondContact O-N 2.73Å; I276-I278 HydrophobicContact CG2-CG2 3.76Å |
| 277 | L | 64 | Low | 65.2 | Low | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.4 | 179 | -49.3 | -177.1 | 0 | 0 | 0 | 109.2 | G27 V29 C256 P257 Y263 L266 P267 T268 C270 L275 | G27-L277 WeakPolarHBondContact O-CA 3.14Å; V29-L277 HydrophobicContact CG2-CB 4.45Å; V29-L277 HydrophobicContact CG2-CD2 4.38Å; C256-L277 HydrophobicContact CB-CD1 3.76Å; C256-L277 HydrophobicContact CB-CD2 4.1Å; P257-L277 VanDerWaalsContact CD-CD2 3.48Å; P257-L277 HydrophobicContact CG-CD2 4.39Å; Y263-L277 HydrophobicContact CD2-CD1 3.41Å; Y263-L277 VanDerWaalsContact CD2-CD1 3.41Å; Y263-L277 HydrophobicContact CE2-CD1 3.62Å; Y263-L277 HydrophobicContact CG-CD1 4.13Å; L266-L277 HydrophobicContact CD2-CB 3.45Å; L266-L277 VanDerWaalsContact CD2-CB 3.45Å; L266-L277 HydrophobicContact CD2-CD1 4.42Å; P267-L277 CarbonylContact C-O 3.55Å; P267-L277 WeakPolarHBondContact CA-O 3.31Å; T268-L277 HydrophobicContact CG2-CB 3.89Å; T268-L277 HydrophobicContact CG2-CD1 3.83Å; T268-L277 HydrophobicContact CG2-CG 4.15Å; T268-L277 PolarHBondContact N-O 2.8Å; T268-L277 WeakPolarHBondContact O-CA 3.44Å; T268-L277 WeakPolarHBondContact O-CB 3.3Å; T268-L277 PolarHBondContact O-N 2.92Å; C270-L277 HydrophobicContact CB-CD1 4.49Å; L275-L277 HydrophobicContact CD2-CD2 4.06Å; L275-L277 HydrophobicContact CG-CD2 4.26Å; L275-L277 PolarHBondContact O-N 3.46Å |
| 278 | I | 66.9 | Low | 65.2 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 162.4 | 179.5 | 70.3 | 173.7 | 0 | 0 | 0 | 109.7 | L26 G27 I28 V29 I100 P267 I276 L283 | L26-I278 HydrophobicContact CB-CD1 4.3Å; L26-I278 HydrophobicContact CD1-CD1 4.08Å; L26-I278 HydrophobicContact CD2-CD1 4.43Å; G27-I278 PolarHBondContact O-N 3.35Å; G27-I278 VanDerWaalsContact O-N 3.07Å; I28-I278 CarbonylContact C-O 3.56Å; I28-I278 VanDerWaalsContact CA-O 3.28Å; I28-I278 WeakPolarHBondContact CA-O 3.34Å; I28-I278 HydrophobicContact CG1-CD1 4.31Å; I28-I278 HydrophobicContact CG1-CG1 3.99Å; V29-I278 PolarHBondContact N-O 2.88Å; I100-I278 HydrophobicContact CG2-CB 4.48Å; I100-I278 HydrophobicContact CG2-CG2 3.6Å; P267-I278 HydrophobicContact CB-CB 4.42Å; P267-I278 HydrophobicContact CB-CG2 3.91Å; I276-I278 HydrophobicContact CG2-CG2 3.76Å; I278-L283 HydrophobicContact CD1-CB 4.11Å |
| 279 | S | 64.8 | Low | 65.2 | Low | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | trans | -97.1 | 159.1 | 168.9 | 77.6 | 0 | 0 | 0 | 0 | 108.9 | Q281 H282 L283 | S279-Q281 PolarHBondContact O-N 3.08Å; S279-Q281 PolarHBondContact OG-N 2.97Å; S279-H282 PolarHBondContact N-ND1 2.93Å; S279-H282 PolarHBondContact O-N 2.98Å; S279-H282 PolarHBondContact OG-CE1 3.18Å; S279-H282 VanDerWaalsContact OG-CG 3.3Å; S279-H282 PolarHBondContact OG-N 3.35Å; S279-H282 VanDerWaalsContact OG-N 3.13Å; S279-H282 PolarHBondContact OG-ND1 2.92Å; S279-L283 PolarHBondContact O-N 3.21Å | ||
| 280 | A | 66.1 | Low | 65.1 | Low | 62 Ų | 62 | 52.7 Ų | 52.7 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -29.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I28 L283 A284 | I28-A280 HydrophobicContact CG2-CB 4.11Å; A280-L283 PolarHBondContact O-N 3.48Å; A280-A284 WeakPolarHBondContact O-CB 2.98Å; A280-A284 PolarHBondContact O-N 2.94Å |
| 281 | Q | 63.6 | Low | 65.5 | Low | 150 Ų | 150 | 57.7 Ų | 57.7 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.9 | -42.9 | 176.3 | -64.3 | 172 | -25.2 | 0 | 0 | 111.6 | S279 L283 A284 R285 | S279-Q281 PolarHBondContact O-N 3.08Å; S279-Q281 PolarHBondContact OG-N 2.97Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.3Å; Q281-A284 PolarHBondContact O-N 2.99Å; Q281-R285 WeakPolarHBondContact O-CG 3.35Å; Q281-R285 PolarHBondContact O-N 3.46Å |
| 282 | H | 63.9 | Low | 65.8 | Low | 38 Ų | 38 | 57.5 Ų | 57.5 | 18% | 0.176 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.9 | -62.2 | 140 | 0 | 0 | 0 | 111.4 | P99 L266 S279 R285 S286 | P99-H282 HydrophobicContact CB-CB 3.82Å; P99-H282 HydrophobicContact CG-CB 3.73Å; P99-H282 WeakPolarHBondContact CG-O 3.3Å; L266-H282 PolarHBondContact O-CE1 3.37Å; S279-H282 PolarHBondContact N-ND1 2.93Å; S279-H282 PolarHBondContact O-N 2.98Å; S279-H282 PolarHBondContact OG-CE1 3.18Å; S279-H282 VanDerWaalsContact OG-CG 3.3Å; S279-H282 PolarHBondContact OG-N 3.35Å; S279-H282 VanDerWaalsContact OG-N 3.13Å; S279-H282 PolarHBondContact OG-ND1 2.92Å; H282-R285 PolarHBondContact O-N 3.08Å; H282-S286 PolarHBondContact O-N 2.77Å |
| 283 | L | 64.9 | Low | 66.3 | Low | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 175.9 | -177.1 | 58.3 | 0 | 0 | 0 | 111.7 | I28 L43 I278 S279 A280 Q281 R285 S286 H287 | I28-L283 HydrophobicContact CD1-CD2 3.89Å; L43-L283 HydrophobicContact CD1-CD1 3.28Å; L43-L283 HydrophobicContact CD2-CD1 3.41Å; L43-L283 VanDerWaalsContact CD2-CD1 3.41Å; L43-L283 HydrophobicContact CG-CD1 3.88Å; I278-L283 HydrophobicContact CD1-CB 4.11Å; S279-L283 PolarHBondContact O-N 3.21Å; A280-L283 PolarHBondContact O-N 3.48Å; Q281-L283 VanDerWaalsContact C-N 3.3Å; Q281-L283 PolarHBondContact O-N 3.3Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.27Å; L283-S286 PolarHBondContact O-N 3.07Å; L283-S286 PolarHBondContact O-OG 3.26Å; L283-H287 PolarHBondContact O-N 3.32Å; L283-H287 VanDerWaalsContact O-N 3.16Å |
| 284 | A | 65.4 | Low | 66.9 | Low | 57 Ų | 57 | 54 Ų | 54 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A280 Q281 S286 H287 | A280-A284 WeakPolarHBondContact O-CB 2.98Å; A280-A284 PolarHBondContact O-N 2.94Å; Q281-A284 PolarHBondContact O-N 2.99Å; A284-S286 PolarHBondContact O-N 2.85Å; A284-H287 WeakPolarHBondContact O-CB 3.05Å; A284-H287 PolarHBondContact O-N 3.11Å |
| 285 | R | 66.5 | Low | 68 | Low | 97 Ų | 97 | 57.8 Ų | 57.8 | 37% | 0.366 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.2 | -67.9 | -178.6 | 97.6 | -175.7 | 5.6 | 112 | D96 Q281 H282 L283 H287 Q288 | D96-R285 PolarHBondContact O-NE 3.35Å; D96-R285 IonicContact OD1-CZ 3.31Å; D96-R285 VanDerWaalsContact OD1-CZ 3.31Å; D96-R285 IonicContact OD1-NH1 2.73Å; D96-R285 PolarHBondContact OD1-NH1 3.32Å; D96-R285 IonicContact OD1-NH2 3.59Å; D96-R285 PolarHBondContact OD1-NH2 3.39Å; D96-R285 VanDerWaalsContact OD1-NH2 3.11Å; D96-R285 IonicContact OD2-CZ 3.83Å; D96-R285 IonicContact OD2-NH1 3.95Å; D96-R285 IonicContact OD2-NH2 3.15Å; D96-R285 PolarHBondContact OD2-NH2 3.3Å; Q281-R285 WeakPolarHBondContact O-CG 3.35Å; Q281-R285 PolarHBondContact O-N 3.46Å; H282-R285 PolarHBondContact O-N 3.08Å; L283-R285 VanDerWaalsContact C-N 3.33Å; L283-R285 PolarHBondContact O-N 3.27Å; R285-H287 VanDerWaalsContact C-N 3.28Å; R285-H287 PolarHBondContact O-N 3.09Å; R285-Q288 PolarHBondContact O-N 3.1Å |
| 286 | S | 65.7 | Low | 69.3 | Low | 12 Ų | 12 | 58 Ų | 58 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.1 | -27.6 | 177.3 | 67.4 | 0 | 0 | 0 | 0 | 113.7 | L43 H282 L283 A284 Q288 H289 L290 | L43-S286 WeakPolarHBondContact CD2-OG 3.46Å; H282-S286 PolarHBondContact O-N 2.77Å; L283-S286 PolarHBondContact O-N 3.07Å; L283-S286 PolarHBondContact O-OG 3.26Å; A284-S286 PolarHBondContact O-N 2.85Å; S286-Q288 VanDerWaalsContact C-N 3.29Å; S286-Q288 PolarHBondContact O-N 3.16Å; S286-H289 PolarHBondContact O-N 2.9Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 3.17Å |
| 287 | H | 66.3 | Low | 70.3 | Confident | 107 Ų | 107 | 58.5 Ų | 58.5 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | -179.5 | -173.6 | -86.3 | 0 | 0 | 0 | 112.4 | L283 A284 R285 H289 L290 F291 | L283-H287 PolarHBondContact O-N 3.32Å; L283-H287 VanDerWaalsContact O-N 3.16Å; A284-H287 WeakPolarHBondContact O-CB 3.05Å; A284-H287 PolarHBondContact O-N 3.11Å; R285-H287 VanDerWaalsContact C-N 3.28Å; R285-H287 PolarHBondContact O-N 3.09Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.71Å; H287-L290 PolarHBondContact O-N 3.06Å; H287-F291 AromaticContact CD2-CD2 3.75Å; H287-F291 AromaticContact CD2-CE2 3.69Å; H287-F291 AromaticContact CE1-CD2 3.65Å; H287-F291 AromaticContact NE2-CD2 3.48Å; H287-F291 WeakPolarHBondContact NE2-CD2 3.48Å; H287-F291 AromaticContact NE2-CE2 3.54Å; H287-F291 PolarHBondContact O-N 2.86Å |
| 288 | Q | 65.4 | Low | 71.7 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -32.8 | -179.8 | -68.7 | 176 | -40.8 | 0 | 0 | 112.7 | R285 S286 L344 H345 | R285-Q288 PolarHBondContact O-N 3.1Å; S286-Q288 VanDerWaalsContact C-N 3.29Å; S286-Q288 PolarHBondContact O-N 3.16Å; Q288-L344 PolarHBondContact NE2-O 3.19Å; Q288-H345 HydrophobicContact CB-CB 3.87Å; Q288-H345 HydrophobicContact CG-CB 4.2Å |
| 289 | H | 62.9 | Low | 72.7 | Confident | 75 Ų | 75 | 67.8 Ų | 67.8 | 35% | 0.347 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -89.7 | -25.1 | 179.6 | -57.7 | -61.7 | 0 | 0 | 0 | 113.5 | Q97 S286 H287 F291 H345 | Q97-H289 WeakPolarHBondContact CG-NE2 3.29Å; S286-H289 PolarHBondContact O-N 2.9Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.71Å; H289-F291 VanDerWaalsContact C-N 3.28Å; H289-H345 AromaticContact CE1-NE2 3.93Å |
| 290 | L | 62 | Low | 73.8 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 33% | 0.33 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.8 | -26 | 175.3 | -70.6 | 169.6 | 0 | 0 | 0 | 112.3 | L43 S286 H287 | L43-L290 HydrophobicContact CD2-CD1 3.91Å; S286-L290 WeakPolarHBondContact O-CG 3.44Å; S286-L290 PolarHBondContact O-N 3.17Å; H287-L290 PolarHBondContact O-N 3.06Å |
| 291 | F | 66.3 | Low | 74.5 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 46% | 0.461 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -131.4 | 74 | -179.1 | -55 | -73.2 | 0 | 0 | 0 | 110.4 | L42 H287 H289 | L42-F291 HydrophobicContact CD1-CZ 3.98Å; H287-F291 AromaticContact CD2-CD2 3.75Å; H287-F291 AromaticContact CD2-CE2 3.69Å; H287-F291 AromaticContact CE1-CD2 3.65Å; H287-F291 AromaticContact NE2-CD2 3.48Å; H287-F291 WeakPolarHBondContact NE2-CD2 3.48Å; H287-F291 AromaticContact NE2-CE2 3.54Å; H287-F291 PolarHBondContact O-N 2.86Å; H289-F291 VanDerWaalsContact C-N 3.28Å |
| 292 | P | 70.2 | Confident | 75.3 | Confident | 100 Ų | 100 | 66.9 Ų | 66.9 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 142.6 | 179.3 | 26.3 | -34.2 | 0 | 0 | 0 | 110.4 | G294 | P292-G294 PolarHBondContact O-N 2.63Š|
| 293 | V | 80.5 | Confident | 75.5 | Confident | 33 Ų | 33 | 73.7 Ų | 73.7 | 20% | 0.2 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 128.7 | 171.7 | -173.8 | 0 | 0 | 0 | 0 | 108.1 | F296 I340 H345 C347 | V293-F296 HydrophobicContact CG1-CE1 3.66Å; V293-F296 HydrophobicContact CG1-CZ 4.24Å; V293-I340 HydrophobicContact CG1-CG2 4.26Å; V293-I340 HydrophobicContact CG2-CG2 4.49Å; V293-H345 WeakPolarHBondContact CG2-O 2.75Å; V293-C347 HydrophobicContact CG1-CB 4.49Å |
| 294 | G | 81.3 | Confident | 75.7 | Confident | 44 Ų | 44 | 80.9 Ų | 80.9 | 45% | 0.454 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 144.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | P292 F296 H341 | P292-G294 PolarHBondContact O-N 2.63Å; G294-F296 WeakPolarHBondContact O-CD1 3.46Å; G294-F296 PolarHBondContact O-N 3.29Å; G294-H341 PolarHBondContact O-NE2 2.61Å |
| 295 | T | 87.7 | Confident | 75.9 | Confident | 118 Ų | 118 | 84 Ų | 84 | 72% | 0.724 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 135.6 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 296 | F | 92 | Very high | 75.7 | Confident | 15 Ų | 15 | 82.8 Ų | 82.8 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 144.5 | 177.9 | -70.2 | 3.6 | 0 | 0 | 0 | 110.3 | V293 G294 E298 T324 C325 F332 N337 I340 H341 C347 | V293-F296 HydrophobicContact CG1-CE1 3.66Å; V293-F296 HydrophobicContact CG1-CZ 4.24Å; G294-F296 WeakPolarHBondContact O-CD1 3.46Å; G294-F296 PolarHBondContact O-N 3.29Å; F296-E298 PolarHBondContact O-N 2.85Å; F296-T324 CarbonylContact C-O 3.53Å; F296-T324 WeakPolarHBondContact CA-O 3.32Å; F296-C325 HydrophobicContact CD1-CB 4.13Å; F296-C325 HydrophobicContact CE1-CB 3.83Å; F296-C325 HydrophobicContact CE2-CB 4.36Å; F296-C325 HydrophobicContact CZ-CB 3.95Å; F296-F332 AromaticContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CE2 4.39Å; F296-F332 HydrophobicContact CD2-CG 4.44Å; F296-F332 HydrophobicContact CE2-CB 4.48Å; F296-F332 AromaticContact CE2-CD2 3.28Å; F296-F332 HydrophobicContact CE2-CD2 3.28Å; F296-F332 AromaticContact CE2-CE2 3.58Å; F296-F332 HydrophobicContact CE2-CE2 3.58Å; F296-F332 AromaticContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CZ 4.46Å; F296-F332 HydrophobicContact CZ-CD2 4.22Å; F296-F332 HydrophobicContact CZ-CE2 4.08Å; F296-N337 WeakPolarHBondContact CD2-OD1 3.43Å; F296-I340 HydrophobicContact CE2-CD1 3.93Å; F296-I340 HydrophobicContact CE2-CG2 4.45Å; F296-I340 HydrophobicContact CZ-CD1 4.27Å; F296-I340 HydrophobicContact CZ-CG2 4.02Å; F296-H341 AromaticContact CD1-CE1 3.87Å; F296-H341 AromaticContact CG-CE1 3.89Å; F296-C347 HydrophobicContact CE1-CB 4.38Å; F296-C347 HydrophobicContact CZ-CB 3.95Å |
| 297 | A | 91 | Very high | 75.7 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 41% | 0.405 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | T324 | A297-T324 PolarHBondContact N-O 3.29Å; A297-T324 PolarHBondContact O-N 3.43Å |
| 298 | E | 92.8 | Very high | 76.3 | Confident | 124 Ų | 124 | 87.5 Ų | 87.5 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 127.5 | 175.1 | -59.9 | -169.6 | -175.8 | 0 | 0 | 110.3 | F296 Y323 | F296-E298 PolarHBondContact O-N 2.85Å; E298-Y323 HydrophobicContact CG-CD1 3.86Å; E298-Y323 HydrophobicContact CG-CE1 3.61Å |
| 299 | V | 88.5 | Confident | 77.3 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 118.5 | 179.2 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | A322 | V299-A322 PolarHBondContact N-O 3.47Å; V299-A322 PolarHBondContact O-N 3.14Å |
| 300 | D | 86.4 | Confident | 78.6 | Confident | 109 Ų | 109 | 87 Ų | 87 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.2 | 172.4 | -65.1 | -51.1 | 0 | 0 | 0 | 109.9 | R321 | D300-R321 VanDerWaalsContact OD1-CG 3.28Å; D300-R321 WeakPolarHBondContact OD1-CG 3.28Å; D300-R321 IonicContact OD1-NE 2.83Å; D300-R321 PolarHBondContact OD1-NE 3.48Å |
| 301 | I | 81.8 | Confident | 80.1 | Confident | 16 Ų | 16 | 84 Ų | 84 | 8% | 0.082 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -92.1 | 127.4 | 179.6 | -59.2 | 174.7 | 0 | 0 | 0 | 108.8 | K303 K305 E306 I309 I318 V320 A322 | I301-K303 PolarHBondContact O-N 2.89Å; I301-K305 HydrophobicContact CG2-CB 4.44Å; I301-E306 HydrophobicContact CG2-CG 4.44Å; I301-I309 HydrophobicContact CD1-CD1 4.23Å; I301-I309 HydrophobicContact CD1-CG2 4.37Å; I301-I309 HydrophobicContact CG1-CD1 4.31Å; I301-I309 HydrophobicContact CG2-CD1 3.85Å; I301-I318 HydrophobicContact CD1-CB 3.81Å; I301-I318 HydrophobicContact CD1-CG2 3.54Å; I301-I318 WeakPolarHBondContact CD1-O 3.49Å; I301-V320 PolarHBondContact N-O 2.82Å; I301-A322 HydrophobicContact CD1-CB 3.95Å; I301-A322 HydrophobicContact CG1-CB 4.14Å |
| 302 | P | 78.8 | Confident | 81.4 | Confident | 79 Ų | 79 | 84 Ų | 84 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 135.3 | 171.8 | -19.6 | 30.8 | 0 | 0 | 0 | 110.6 | E304 K305 | P302-E304 PolarHBondContact O-N 2.92Å; P302-K305 PolarHBondContact O-N 2.82Å |
| 303 | K | 69.7 | Low | 82.4 | Confident | 180 Ų | 180 | 81 Ų | 81 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -50.6 | -30.2 | -177.9 | -66.6 | -173.4 | 177.9 | -177.4 | 0 | 114 | I301 K305 | I301-K303 PolarHBondContact O-N 2.89Å; K303-K305 PolarHBondContact O-N 3.27Å |
| 304 | E | 69.4 | Low | 83.1 | Confident | 181 Ų | 181 | 81.7 Ų | 81.7 | 85% | 0.846 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -68.5 | -15.4 | 179 | -62.4 | 174.1 | -175.6 | 0 | 0 | 114.2 | P302 | P302-E304 PolarHBondContact O-N 2.92Š|
| 305 | K | 68.4 | Low | 83.6 | Confident | 121 Ų | 121 | 86.7 Ų | 86.7 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -120.5 | 12 | -175.9 | -66.2 | -173.3 | 178.4 | -179.7 | 0 | 113.9 | I301 P302 K303 S307 D308 I309 | I301-K305 HydrophobicContact CG2-CB 4.44Å; P302-K305 PolarHBondContact O-N 2.82Å; K303-K305 PolarHBondContact O-N 3.27Å; K305-S307 PolarHBondContact O-N 2.9Å; K305-D308 PolarHBondContact O-N 2.77Å; K305-I309 HydrophobicContact CB-CD1 4.5Å |
| 306 | E | 63.4 | Low | 83.7 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 34% | 0.341 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.1 | -177.8 | -76.4 | 179 | 179.9 | 0 | 0 | 112.9 | I301 | I301-E306 HydrophobicContact CG2-CG 4.44Š|
| 307 | S | 64.9 | Low | 83.6 | Confident | 91 Ų | 91 | 89.4 Ų | 89.4 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -20.5 | -179.9 | 54.2 | 0 | 0 | 0 | 0 | 114.8 | K305 | K305-S307 PolarHBondContact O-N 2.9Š|
| 308 | D | 79.3 | Confident | 83.4 | Confident | 127 Ų | 127 | 87.3 Ų | 87.3 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -13.2 | -167.5 | -68.4 | -2.3 | 0 | 0 | 0 | 112.9 | K305 | K305-D308 PolarHBondContact O-N 2.77Š|
| 309 | I | 85.1 | Confident | 82.6 | Confident | 27 Ų | 27 | 85.5 Ų | 85.5 | 14% | 0.138 | 46% | 0.456 | C | S | . | . | trans | -105.8 | 107.4 | -174.1 | -59.1 | 174.2 | 0 | 0 | 0 | 109.7 | I301 K305 I318 K331 | I301-I309 HydrophobicContact CD1-CD1 4.23Å; I301-I309 HydrophobicContact CD1-CG2 4.37Å; I301-I309 HydrophobicContact CG1-CD1 4.31Å; I301-I309 HydrophobicContact CG2-CD1 3.85Å; K305-I309 HydrophobicContact CB-CD1 4.5Å; I309-I318 HydrophobicContact CG2-CD1 4.05Å; I309-I318 PolarHBondContact O-N 2.59Å; I309-K331 HydrophobicContact CG2-CD 3.69Å | ||
| 310 | L | 91.1 | Very high | 82.3 | Confident | 101 Ų | 101 | 86.4 Ų | 86.4 | 53% | 0.529 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -92.7 | 142.9 | 175.1 | -58.5 | 169.9 | 0 | 0 | 0 | 110.9 | P317 | L310-P317 HydrophobicContact CD2-CB 4.37Å |
| 311 | C | 93.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 86.8 Ų | 86.8 | 0% | 0 | 46% | 0.455 | C | S | . | . | trans | -67.5 | 130 | 170.7 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | G313 C314 F315 L316 I318 C333 | C311-G313 PolarHBondContact O-N 2.87Å; C311-G313 PolarHBondContact SG-N 2.68Å; C311-G313 VanDerWaalsContact SG-N 3.4Å; C311-C314 VanDerWaalsContact CB-SG 3.55Å; C311-F315 WeakPolarHBondContact O-CA 3.43Å; C311-F315 PolarHBondContact O-N 2.99Å; C311-L316 WeakPolarHBondContact CB-O 3.49Å; C311-L316 PolarHBondContact N-O 3.02Å; C311-I318 HydrophobicContact CB-CD1 3.98Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; C311-C333 HydrophobicContact CB-CB 4.2Å; C311-C333 PolarHBondContact SG-N 2.84Å | ||
| 312 | Y | 94.2 | Very high | 82.8 | Confident | 105 Ų | 105 | 86.1 Ų | 86.1 | 41% | 0.412 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -27.7 | 177.7 | -173.5 | -97.9 | 0 | 0 | 0 | 113.2 | N330 K331 F332 P348 | Y312-N330 HydrophobicContact CD1-CB 4.23Å; Y312-N330 HydrophobicContact CD2-CB 4.28Å; Y312-N330 HydrophobicContact CG-CB 3.91Å; Y312-K331 WeakPolarHBondContact CB-O 3.35Å; Y312-K331 PolarHBondContact N-O 3.4Å; Y312-F332 AromaticContact CD1-CE1 3.89Å; Y312-F332 HydrophobicContact CD1-CE1 3.89Å; Y312-F332 AromaticContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CG-CE1 4.44Å; Y312-F332 HydrophobicContact CG-CZ 4.48Å; Y312-P348 HydrophobicContact CE1-CB 4.45Å |
| 313 | G | 91.7 | Very high | 83.5 | Confident | 36 Ų | 36 | 83.3 Ų | 83.3 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -52.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C311 | C311-G313 PolarHBondContact O-N 2.87Å; C311-G313 PolarHBondContact SG-N 2.68Å; C311-G313 VanDerWaalsContact SG-N 3.4Å |
| 314 | C | 93.5 | Very high | 84.6 | Confident | 48 Ų | 48 | 76 Ų | 76 | 32% | 0.324 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -4.5 | -174.6 | 63.4 | 0 | 0 | 0 | 0 | 114.4 | C311 L316 | C311-C314 VanDerWaalsContact CB-SG 3.55Å; C314-L316 HydrophobicContact CB-CD1 4.44Å; C314-L316 HydrophobicContact CB-CG 4.36Å; C314-L316 PolarHBondContact O-N 2.82Å; C314-L316 VanDerWaalsContact O-N 3.12Å |
| 315 | F | 92 | Very high | 85.7 | Confident | 149 Ų | 149 | 67.6 Ų | 67.6 | 65% | 0.654 | 36% | 0.362 | S | S | * | . | trans | 58.3 | 17.2 | -175.8 | -59.4 | -81.9 | 0 | 0 | 0 | 115.2 | C311 | C311-F315 WeakPolarHBondContact O-CA 3.43Å; C311-F315 PolarHBondContact O-N 2.99Å | ||
| 316 | L | 91.3 | Very high | 86.8 | Confident | 110 Ų | 110 | 66 Ų | 66 | 58% | 0.576 | 36% | 0.363 | S | S | * | . | trans | -88.8 | 150.4 | 173.4 | -62.6 | 175.1 | 0 | 0 | 0 | 111.3 | C311 C314 | C311-L316 WeakPolarHBondContact CB-O 3.49Å; C311-L316 PolarHBondContact N-O 3.02Å; C314-L316 HydrophobicContact CB-CD1 4.44Å; C314-L316 HydrophobicContact CB-CG 4.36Å; C314-L316 PolarHBondContact O-N 2.82Å; C314-L316 VanDerWaalsContact O-N 3.12Å | ||
| 317 | P | 88.9 | Confident | 88 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 53% | 0.526 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -62.9 | 138.8 | 175.1 | 26.7 | -34 | 0 | 0 | 0 | 111.2 | L310 | L310-P317 HydrophobicContact CD2-CB 4.37Å |
| 318 | I | 86.9 | Confident | 89.4 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | trans | -93 | 115 | -178.6 | -59.8 | 169.1 | 0 | 0 | 0 | 109.4 | I301 I309 C311 R321 A322 K331 C333 | I301-I318 HydrophobicContact CD1-CB 3.81Å; I301-I318 HydrophobicContact CD1-CG2 3.54Å; I301-I318 WeakPolarHBondContact CD1-O 3.49Å; I309-I318 HydrophobicContact CG2-CD1 4.05Å; I309-I318 PolarHBondContact O-N 2.59Å; C311-I318 HydrophobicContact CB-CD1 3.98Å; C311-I318 HydrophobicContact CB-CG1 3.84Å; I318-R321 WeakPolarHBondContact CG2-O 3.34Å; I318-A322 HydrophobicContact CD1-CB 4.28Å; I318-A322 HydrophobicContact CG2-CB 4.27Å; I318-K331 HydrophobicContact CD1-CB 4.12Å; I318-C333 HydrophobicContact CG1-CB 4.23Å | ||
| 319 | S | 77.3 | Confident | 90 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 61% | 0.608 | 37% | 0.365 | S | S | * | . | trans | -89.8 | 137.9 | 172.2 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | R321 | S319-R321 VanDerWaalsContact C-N 3.29Å; S319-R321 PolarHBondContact O-N 3.09Å | ||
| 320 | V | 80.9 | Confident | 90.4 | Very high | 90 Ų | 90 | 69.7 Ų | 69.7 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 70.5 | -60.7 | 171 | -161.4 | 0 | 0 | 0 | 0 | 115.5 | I301 | I301-V320 PolarHBondContact N-O 2.82Š|
| 321 | R | 88 | Confident | 90.5 | Very high | 117 Ų | 117 | 69 Ų | 69 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 130.7 | -172.7 | -72.9 | -175.8 | 179.5 | 168 | 5.2 | 113.1 | D300 I318 S319 | D300-R321 VanDerWaalsContact OD1-CG 3.28Å; D300-R321 WeakPolarHBondContact OD1-CG 3.28Å; D300-R321 IonicContact OD1-NE 2.83Å; D300-R321 PolarHBondContact OD1-NE 3.48Å; I318-R321 WeakPolarHBondContact CG2-O 3.34Å; S319-R321 VanDerWaalsContact C-N 3.29Å; S319-R321 PolarHBondContact O-N 3.09Å |
| 322 | A | 91 | Very high | 90.5 | Very high | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V299 I301 I318 K331 | V299-A322 PolarHBondContact N-O 3.47Å; V299-A322 PolarHBondContact O-N 3.14Å; I301-A322 HydrophobicContact CD1-CB 3.95Å; I301-A322 HydrophobicContact CG1-CB 4.14Å; I318-A322 HydrophobicContact CD1-CB 4.28Å; I318-A322 HydrophobicContact CG2-CB 4.27Å; A322-K331 HydrophobicContact CB-CB 4.35Å; A322-K331 HydrophobicContact CB-CD 4.44Å; A322-K331 HydrophobicContact CB-CG 4.46Å |
| 323 | Y | 93.4 | Very high | 90.5 | Very high | 21 Ų | 21 | 64.8 Ų | 64.8 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 113 | 171.6 | -63.3 | -92 | 0 | 0 | 0 | 108.5 | E298 F332 I334 N337 | E298-Y323 HydrophobicContact CG-CD1 3.86Å; E298-Y323 HydrophobicContact CG-CE1 3.61Å; Y323-F332 PolarHBondContact N-O 3.26Å; Y323-F332 PolarHBondContact O-N 2.7Å; Y323-I334 HydrophobicContact CD2-CB 4.5Å; Y323-I334 HydrophobicContact CE2-CB 3.7Å; Y323-I334 HydrophobicContact CE2-CG1 4Å; Y323-N337 HydrophobicContact CD1-CB 4.21Å; Y323-N337 HydrophobicContact CD2-CB 3.94Å; Y323-N337 HydrophobicContact CG-CB 3.74Å |
| 324 | T | 93.4 | Very high | 90.5 | Very high | 25 Ų | 25 | 67.1 Ų | 67.1 | 15% | 0.153 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.6 | -173.3 | -53.5 | 0 | 0 | 0 | 0 | 110.9 | F296 A297 T326 N330 | F296-T324 CarbonylContact C-O 3.53Å; F296-T324 WeakPolarHBondContact CA-O 3.32Å; A297-T324 PolarHBondContact N-O 3.29Å; A297-T324 PolarHBondContact O-N 3.43Å; T324-T326 PolarHBondContact O-N 3.03Å; T324-N330 WeakPolarHBondContact CA-O 3.25Å |
| 325 | C | 92.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.034 | 37% | 0.365 | C | S | . | . | trans | -65.5 | 131.6 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | F296 M327 K329 N330 F332 C347 | F296-C325 HydrophobicContact CD1-CB 4.13Å; F296-C325 HydrophobicContact CE1-CB 3.83Å; F296-C325 HydrophobicContact CE2-CB 4.36Å; F296-C325 HydrophobicContact CZ-CB 3.95Å; C325-M327 PolarHBondContact O-N 3.38Å; C325-K329 WeakPolarHBondContact O-CA 3.26Å; C325-K329 PolarHBondContact O-N 3.5Å; C325-N330 PolarHBondContact N-O 2.97Å; C325-F332 HydrophobicContact CB-CE2 4.23Å; C325-C347 VanDerWaalsContact SG-SG 3.64Å | ||
| 326 | T | 90 | Very high | 90.5 | Very high | 89 Ų | 89 | 64.1 Ų | 64.1 | 55% | 0.546 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -21.3 | -178.6 | 52.6 | 0 | 0 | 0 | 0 | 113.7 | T324 | T324-T326 PolarHBondContact O-N 3.03Š|
| 327 | M | 89.9 | Confident | 90.6 | Very high | 152 Ų | 152 | 59.9 Ų | 59.9 | 75% | 0.749 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -67.1 | -176.7 | -61.5 | -63.5 | -68.9 | 0 | 0 | 112.1 | C325 | C325-M327 PolarHBondContact O-N 3.38Š|
| 328 | C | 93.3 | Very high | 90.6 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 25% | 0.25 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -11.4 | -178 | 67 | 0 | 0 | 0 | 0 | 114 | N330 C347 G349 | C328-N330 PolarHBondContact O-N 3.34Å; C328-N330 VanDerWaalsContact O-N 3.17Å; C328-C347 VanDerWaalsContact SG-SG 3.7Å; C328-G349 WeakPolarHBondContact CB-O 3.29Å |
| 329 | K | 92.4 | Very high | 90.9 | Very high | 162 Ų | 162 | 65 Ų | 65 | 70% | 0.704 | 34% | 0.336 | S | S | * | . | trans | 62.2 | 13.4 | -178.1 | -54.8 | -174.9 | 179.4 | -179 | 0 | 115.5 | C325 | C325-K329 WeakPolarHBondContact O-CA 3.26Å; C325-K329 PolarHBondContact O-N 3.5Å | ||
| 330 | N | 93.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 61 Ų | 61 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | trans | -69.5 | 148.5 | 171.2 | -69 | -22.5 | 0 | 0 | 0 | 111.1 | Y312 T324 C325 C328 F332 | Y312-N330 HydrophobicContact CD1-CB 4.23Å; Y312-N330 HydrophobicContact CD2-CB 4.28Å; Y312-N330 HydrophobicContact CG-CB 3.91Å; T324-N330 WeakPolarHBondContact CA-O 3.25Å; C325-N330 PolarHBondContact N-O 2.97Å; C328-N330 PolarHBondContact O-N 3.34Å; C328-N330 VanDerWaalsContact O-N 3.17Å; N330-F332 HydrophobicContact CB-CE2 3.93Å; N330-F332 HydrophobicContact CB-CZ 4.14Å | ||
| 331 | K | 93.1 | Very high | 91.7 | Very high | 87 Ų | 87 | 59.2 Ų | 59.2 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 137.1 | -178.1 | -64.3 | 175.4 | -176.5 | 166.6 | 0 | 110.7 | I309 Y312 I318 A322 | I309-K331 HydrophobicContact CG2-CD 3.69Å; Y312-K331 WeakPolarHBondContact CB-O 3.35Å; Y312-K331 PolarHBondContact N-O 3.4Å; I318-K331 HydrophobicContact CD1-CB 4.12Å; A322-K331 HydrophobicContact CB-CB 4.35Å; A322-K331 HydrophobicContact CB-CD 4.44Å; A322-K331 HydrophobicContact CB-CG 4.46Å |
| 332 | F | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149 | -179.7 | -61.1 | -87.2 | 0 | 0 | 0 | 110.7 | F296 Y312 Y323 C325 N330 C336 I340 P348 | F296-F332 AromaticContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CD2 3.76Å; F296-F332 HydrophobicContact CD2-CE2 4.39Å; F296-F332 HydrophobicContact CD2-CG 4.44Å; F296-F332 HydrophobicContact CE2-CB 4.48Å; F296-F332 AromaticContact CE2-CD2 3.28Å; F296-F332 HydrophobicContact CE2-CD2 3.28Å; F296-F332 AromaticContact CE2-CE2 3.58Å; F296-F332 HydrophobicContact CE2-CE2 3.58Å; F296-F332 AromaticContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CG 3.97Å; F296-F332 HydrophobicContact CE2-CZ 4.46Å; F296-F332 HydrophobicContact CZ-CD2 4.22Å; F296-F332 HydrophobicContact CZ-CE2 4.08Å; Y312-F332 AromaticContact CD1-CE1 3.89Å; Y312-F332 HydrophobicContact CD1-CE1 3.89Å; Y312-F332 AromaticContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CD1-CZ 3.89Å; Y312-F332 HydrophobicContact CG-CE1 4.44Å; Y312-F332 HydrophobicContact CG-CZ 4.48Å; Y323-F332 PolarHBondContact N-O 3.26Å; Y323-F332 PolarHBondContact O-N 2.7Å; C325-F332 HydrophobicContact CB-CE2 4.23Å; N330-F332 HydrophobicContact CB-CE2 3.93Å; N330-F332 HydrophobicContact CB-CZ 4.14Å; F332-C336 HydrophobicContact CB-CB 4.09Å; F332-C336 HydrophobicContact CD1-CB 4.08Å; F332-I340 HydrophobicContact CD1-CD1 3.64Å; F332-I340 HydrophobicContact CD2-CD1 4.44Å; F332-I340 HydrophobicContact CE1-CD1 3.64Å; F332-I340 HydrophobicContact CE2-CD1 4.44Å; F332-I340 HydrophobicContact CG-CD1 4.05Å; F332-I340 HydrophobicContact CZ-CD1 4.05Å; F332-P348 HydrophobicContact CE1-CG 4.35Å |
| 333 | C | 93.1 | Very high | 91 | Very high | 16 Ų | 16 | 64 Ų | 64 | 11% | 0.108 | 33% | 0.326 | C | S | . | . | trans | -74.3 | 170.7 | 166.8 | 69.1 | 0 | 0 | 0 | 0 | 110.7 | C311 I318 D335 C336 N337 | C311-C333 HydrophobicContact CB-CB 4.2Å; C311-C333 PolarHBondContact SG-N 2.84Å; I318-C333 HydrophobicContact CG1-CB 4.23Å; C333-D335 VanDerWaalsContact C-N 3.34Å; C333-D335 PolarHBondContact O-N 3.15Å; C333-C336 PolarHBondContact O-N 2.85Å; C333-C336 PolarHBondContact SG-N 2.96Å; C333-C336 VanDerWaalsContact SG-N 3.42Å; C333-N337 WeakPolarHBondContact O-CB 3.46Å; C333-N337 PolarHBondContact O-N 2.76Å | ||
| 334 | I | 91.7 | Very high | 90.7 | Very high | 85 Ų | 85 | 66 Ų | 66 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 179.2 | -168.5 | 166 | 0 | 0 | 0 | 112.7 | Y323 C336 N337 L338 | Y323-I334 HydrophobicContact CD2-CB 4.5Å; Y323-I334 HydrophobicContact CE2-CB 3.7Å; Y323-I334 HydrophobicContact CE2-CG1 4Å; I334-C336 PolarHBondContact O-N 2.85Å; I334-N337 WeakPolarHBondContact O-CB 3.35Å; I334-N337 PolarHBondContact O-N 3.48Å; I334-L338 HydrophobicContact CG1-CD1 4.17Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.92Å |
| 335 | D | 93.1 | Very high | 90.2 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66 | -42.7 | -178.3 | -51.7 | -50.1 | 0 | 0 | 0 | 111.6 | C333 N337 L338 F339 | C333-D335 VanDerWaalsContact C-N 3.34Å; C333-D335 PolarHBondContact O-N 3.15Å; D335-N337 VanDerWaalsContact C-N 3.34Å; D335-L338 PolarHBondContact O-N 3.31Å; D335-F339 WeakPolarHBondContact O-CB 3.46Å; D335-F339 PolarHBondContact O-N 2.86Å |
| 336 | C | 93.6 | Very high | 89.9 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 14% | 0.135 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 174.6 | -73.8 | 0 | 0 | 0 | 0 | 111.2 | F332 C333 I334 F339 I340 | F332-C336 HydrophobicContact CB-CB 4.09Å; F332-C336 HydrophobicContact CD1-CB 4.08Å; C333-C336 PolarHBondContact O-N 2.85Å; C333-C336 PolarHBondContact SG-N 2.96Å; C333-C336 VanDerWaalsContact SG-N 3.42Å; I334-C336 PolarHBondContact O-N 2.85Å; C336-F339 PolarHBondContact O-N 3.05Å; C336-I340 WeakPolarHBondContact O-CB 2.81Å; C336-I340 WeakPolarHBondContact O-CD1 3.4Å; C336-I340 WeakPolarHBondContact O-CG1 3.42Å; C336-I340 PolarHBondContact O-N 3.48Å |
| 337 | N | 92.2 | Very high | 89.9 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 175.9 | -178.6 | 64.3 | 0 | 0 | 0 | 111.3 | F296 Y323 C333 I334 D335 I340 H341 | F296-N337 WeakPolarHBondContact CD2-OD1 3.43Å; Y323-N337 HydrophobicContact CD1-CB 4.21Å; Y323-N337 HydrophobicContact CD2-CB 3.94Å; Y323-N337 HydrophobicContact CG-CB 3.74Å; C333-N337 WeakPolarHBondContact O-CB 3.46Å; C333-N337 PolarHBondContact O-N 2.76Å; I334-N337 WeakPolarHBondContact O-CB 3.35Å; I334-N337 PolarHBondContact O-N 3.48Å; D335-N337 VanDerWaalsContact C-N 3.34Å; N337-I340 PolarHBondContact O-N 3.19Å; N337-H341 PolarHBondContact O-N 2.69Å; N337-H341 VanDerWaalsContact O-N 3.09Å; N337-H341 PolarHBondContact O-ND1 3.08Å; N337-H341 PolarHBondContact OD1-CE1 2.86Å; N337-H341 PolarHBondContact OD1-ND1 2.8Å |
| 338 | L | 90.3 | Very high | 90 | Very high | 79 Ų | 79 | 61.9 Ų | 61.9 | 41% | 0.414 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 175.5 | -72.8 | 166 | 0 | 0 | 0 | 111 | I334 D335 I340 H341 E342 | I334-L338 HydrophobicContact CG1-CD1 4.17Å; I334-L338 WeakPolarHBondContact O-CG 3.4Å; I334-L338 PolarHBondContact O-N 2.92Å; D335-L338 PolarHBondContact O-N 3.31Å; L338-I340 VanDerWaalsContact C-N 3.29Å; L338-I340 PolarHBondContact O-N 2.77Å; L338-H341 PolarHBondContact O-N 3.21Å; L338-H341 VanDerWaalsContact O-N 3.12Å; L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 WeakPolarHBondContact O-CG 3Å; L338-E342 PolarHBondContact O-N 2.7Å |
| 339 | F | 91.8 | Very high | 89.9 | Confident | 114 Ų | 114 | 61.3 Ų | 61.3 | 50% | 0.5 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 179.2 | -175.4 | -102.5 | 0 | 0 | 0 | 112.9 | D335 C336 T343 L344 | D335-F339 WeakPolarHBondContact O-CB 3.46Å; D335-F339 PolarHBondContact O-N 2.86Å; C336-F339 PolarHBondContact O-N 3.05Å; F339-T343 HydrophobicContact CD2-CG2 4.36Å; F339-T343 HydrophobicContact CE2-CG2 3.73Å; F339-T343 HydrophobicContact CZ-CG2 4.11Å; F339-T343 WeakPolarHBondContact O-CA 3.48Å; F339-T343 WeakPolarHBondContact O-CB 3.37Å; F339-T343 PolarHBondContact O-N 3.25Å; F339-L344 HydrophobicContact CD1-CB 4.34Å; F339-L344 HydrophobicContact CE1-CB 4.15Å; F339-L344 PolarHBondContact O-N 2.63Å |
| 340 | I | 89.6 | Confident | 89.7 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -65 | -43.6 | 177.1 | -72 | 164.5 | 0 | 0 | 0 | 111.4 | V293 F296 F332 C336 N337 L338 L344 H345 P348 | V293-I340 HydrophobicContact CG1-CG2 4.26Å; V293-I340 HydrophobicContact CG2-CG2 4.49Å; F296-I340 HydrophobicContact CE2-CD1 3.93Å; F296-I340 HydrophobicContact CE2-CG2 4.45Å; F296-I340 HydrophobicContact CZ-CD1 4.27Å; F296-I340 HydrophobicContact CZ-CG2 4.02Å; F332-I340 HydrophobicContact CD1-CD1 3.64Å; F332-I340 HydrophobicContact CD2-CD1 4.44Å; F332-I340 HydrophobicContact CE1-CD1 3.64Å; F332-I340 HydrophobicContact CE2-CD1 4.44Å; F332-I340 HydrophobicContact CG-CD1 4.05Å; F332-I340 HydrophobicContact CZ-CD1 4.05Å; C336-I340 WeakPolarHBondContact O-CB 2.81Å; C336-I340 WeakPolarHBondContact O-CD1 3.4Å; C336-I340 WeakPolarHBondContact O-CG1 3.42Å; C336-I340 PolarHBondContact O-N 3.48Å; N337-I340 PolarHBondContact O-N 3.19Å; L338-I340 VanDerWaalsContact C-N 3.29Å; L338-I340 PolarHBondContact O-N 2.77Å; I340-L344 HydrophobicContact CG1-CD2 4.39Å; I340-H345 VanDerWaalsContact O-CA 3.26Å; I340-H345 WeakPolarHBondContact O-CA 3.49Å; I340-H345 PolarHBondContact O-N 3.33Å; I340-P348 HydrophobicContact CD1-CG 4.16Å; I340-P348 HydrophobicContact CG1-CG 4.32Å |
| 341 | H | 86 | Confident | 89.5 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -81.1 | -31.5 | -175.2 | -70.7 | 82.5 | 0 | 0 | 0 | 113.2 | G294 F296 N337 L338 H345 | G294-H341 PolarHBondContact O-NE2 2.61Å; F296-H341 AromaticContact CD1-CE1 3.87Å; F296-H341 AromaticContact CG-CE1 3.89Å; N337-H341 PolarHBondContact O-N 2.69Å; N337-H341 VanDerWaalsContact O-N 3.09Å; N337-H341 PolarHBondContact O-ND1 3.08Å; N337-H341 PolarHBondContact OD1-CE1 2.86Å; N337-H341 PolarHBondContact OD1-ND1 2.8Å; L338-H341 PolarHBondContact O-N 3.21Å; L338-H341 VanDerWaalsContact O-N 3.12Å; H341-H345 PolarHBondContact O-CE1 3.24Å; H341-H345 PolarHBondContact O-ND1 2.98Å |
| 342 | E | 82.1 | Confident | 89.3 | Confident | 135 Ų | 135 | 58.1 Ų | 58.1 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -94.2 | -35.5 | -176.5 | -66.3 | -178.7 | 172.9 | 0 | 0 | 113.8 | L338 H345 | L338-E342 WeakPolarHBondContact O-CB 3.48Å; L338-E342 WeakPolarHBondContact O-CG 3Å; L338-E342 PolarHBondContact O-N 2.7Å; E342-H345 PolarHBondContact O-CE1 3.38Å; E342-H345 VanDerWaalsContact O-CE1 3.27Å; E342-H345 PolarHBondContact O-NE2 3.18Å |
| 343 | T | 82.9 | Confident | 89.1 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 52% | 0.515 | 34% | 0.34 | S | S | . | . | I | π-helix | trans | -118.5 | -51.7 | -170.4 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | F339 | F339-T343 HydrophobicContact CD2-CG2 4.36Å; F339-T343 HydrophobicContact CE2-CG2 3.73Å; F339-T343 HydrophobicContact CZ-CG2 4.11Å; F339-T343 WeakPolarHBondContact O-CA 3.48Å; F339-T343 WeakPolarHBondContact O-CB 3.37Å; F339-T343 PolarHBondContact O-N 3.25Å |
| 344 | L | 86 | Confident | 88.8 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -76.8 | -34.2 | -172.6 | -166.4 | 61.6 | 0 | 0 | 0 | 112.2 | Q288 F339 I340 V346 P348 | Q288-L344 PolarHBondContact NE2-O 3.19Å; F339-L344 HydrophobicContact CD1-CB 4.34Å; F339-L344 HydrophobicContact CE1-CB 4.15Å; F339-L344 PolarHBondContact O-N 2.63Å; I340-L344 HydrophobicContact CG1-CD2 4.39Å; L344-V346 VanDerWaalsContact CD2-O 3.3Å; L344-V346 WeakPolarHBondContact CD2-O 3.41Å; L344-V346 PolarHBondContact O-N 3.2Å; L344-P348 HydrophobicContact CD2-CG 3.72Å |
| 345 | H | 82.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 62.6 Ų | 62.6 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | trans | 49.1 | 24.5 | -175.2 | -58.2 | -56.2 | 0 | 0 | 0 | 114.4 | Q288 H289 V293 I340 H341 E342 | Q288-H345 HydrophobicContact CB-CB 3.87Å; Q288-H345 HydrophobicContact CG-CB 4.2Å; H289-H345 AromaticContact CE1-NE2 3.93Å; V293-H345 WeakPolarHBondContact CG2-O 2.75Å; I340-H345 VanDerWaalsContact O-CA 3.26Å; I340-H345 WeakPolarHBondContact O-CA 3.49Å; I340-H345 PolarHBondContact O-N 3.33Å; H341-H345 PolarHBondContact O-CE1 3.24Å; H341-H345 PolarHBondContact O-ND1 2.98Å; E342-H345 PolarHBondContact O-CE1 3.38Å; E342-H345 VanDerWaalsContact O-CE1 3.27Å; E342-H345 PolarHBondContact O-NE2 3.18Å | ||
| 346 | V | 87 | Confident | 88.3 | Confident | 72 Ų | 72 | 59.2 Ų | 59.2 | 44% | 0.436 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -146.5 | 134.9 | 175.3 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | L344 P348 | L344-V346 VanDerWaalsContact CD2-O 3.3Å; L344-V346 WeakPolarHBondContact CD2-O 3.41Å; L344-V346 PolarHBondContact O-N 3.2Å; V346-P348 WeakPolarHBondContact O-CD 3.29Å |
| 347 | C | 89.9 | Confident | 88 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | trans | -73 | 121.4 | 172.1 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | V293 F296 C325 C328 G349 C350 | V293-C347 HydrophobicContact CG1-CB 4.49Å; F296-C347 HydrophobicContact CE1-CB 4.38Å; F296-C347 HydrophobicContact CZ-CB 3.95Å; C325-C347 VanDerWaalsContact SG-SG 3.64Å; C328-C347 VanDerWaalsContact SG-SG 3.7Å; C347-G349 PolarHBondContact O-N 3.22Å; C347-C350 HydrophobicContact CB-CB 4.14Å; C347-C350 PolarHBondContact O-N 2.82Å | ||
| 348 | P | 92 | Very high | 87.7 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 41% | 0.409 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.4 | -178.4 | -24.4 | 32.7 | 0 | 0 | 0 | 115.4 | Y312 F332 I340 L344 V346 | Y312-P348 HydrophobicContact CE1-CB 4.45Å; F332-P348 HydrophobicContact CE1-CG 4.35Å; I340-P348 HydrophobicContact CD1-CG 4.16Å; I340-P348 HydrophobicContact CG1-CG 4.32Å; L344-P348 HydrophobicContact CD2-CG 3.72Å; V346-P348 WeakPolarHBondContact O-CD 3.29Å |
| 349 | G | 90.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 26% | 0.258 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -13.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | C328 C347 | C328-G349 WeakPolarHBondContact CB-O 3.29Å; C347-G349 PolarHBondContact O-N 3.22Å |
| 350 | C | 88.7 | Confident | 87 | Confident | 107 Ų | 107 | 59.4 Ų | 59.4 | 72% | 0.723 | 35% | 0.345 | S | S | * | . | trans | -96.9 | 0 | 174.5 | -61.7 | 0 | 0 | 0 | 0 | 108.8 | C347 | C347-C350 HydrophobicContact CB-CB 4.14Å; C347-C350 PolarHBondContact O-N 2.82Å |
Retrieved 350 of 350 residues in 60 ms
(Link to these results)