| 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 | 49.2 | Very low | 56.3 | Low | 213 Ų | 213 | 143 Ų | 143 | 100% | 1.049 | 68% | 0.677 | S | S | * | * | 0 | -65.1 | 0 | -78.9 | 177.5 | 172.7 | 0 | 0 | 112.1 | Q3 R4 | M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.82Å; M1-R4 PolarHBondContact O-N 2.87Å | |||
| 2 | A | 52.6 | Low | 55.8 | Low | 70 Ų | 70 | 138.8 Ų | 138.8 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -41.8 | -45.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | R4 I5 L6 | A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.01Å; A2-I5 PolarHBondContact O-N 2.7Å; A2-L6 WeakPolarHBondContact O-CD1 3.25Å; A2-L6 PolarHBondContact O-N 3.17Å |
| 3 | Q | 53.8 | Low | 55.5 | Low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -57.4 | -38.5 | 179 | -75.7 | 172.2 | -31.4 | 0 | 0 | 114.1 | M1 I5 L6 E7 | M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 2.82Å; Q3-I5 PolarHBondContact O-N 2.82Å; Q3-L6 PolarHBondContact O-N 2.88Å; Q3-E7 PolarHBondContact O-N 3.16Å |
| 4 | R | 58.9 | Low | 55.4 | Low | 207 Ų | 207 | 133.4 Ų | 133.4 | 78% | 0.781 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.9 | -16.7 | 177 | -81.4 | -171.8 | 175 | 175.8 | -1 | 114 | M1 A2 | M1-R4 PolarHBondContact O-N 2.87Å; A2-R4 VanDerWaalsContact C-N 3.33Å; A2-R4 PolarHBondContact O-N 3.01Å |
| 5 | I | 62.1 | Low | 55.6 | Low | 115 Ų | 115 | 133.5 Ų | 133.5 | 59% | 0.59 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -87.1 | -24.5 | 178 | -59.3 | 176 | 0 | 0 | 0 | 110.7 | A2 Q3 | A2-I5 PolarHBondContact O-N 2.7Å; Q3-I5 PolarHBondContact O-N 2.82Å |
| 6 | L | 55.5 | Low | 55.7 | Low | 102 Ų | 102 | 130.5 Ų | 130.5 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -93.4 | -10.4 | 176.3 | -78.8 | 102.6 | 0 | 0 | 0 | 114.8 | A2 Q3 F9 R10 | A2-L6 WeakPolarHBondContact O-CD1 3.25Å; A2-L6 PolarHBondContact O-N 3.17Å; Q3-L6 PolarHBondContact O-N 2.88Å; L6-F9 PolarHBondContact O-N 3.07Å; L6-R10 PolarHBondContact O-N 2.97Å |
| 7 | E | 59.3 | Low | 55.7 | Low | 110 Ų | 110 | 129.8 Ų | 129.8 | 51% | 0.514 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -58.3 | -41.7 | 176.2 | -82.2 | -180 | 101.9 | 0 | 0 | 114.4 | Q3 R10 K11 | Q3-E7 PolarHBondContact O-N 3.16Å; E7-R10 PolarHBondContact O-N 3.21Å; E7-K11 PolarHBondContact O-N 3.38Å |
| 8 | P | 54.5 | Low | 55.7 | Low | 81 Ų | 81 | 129.3 Ų | 129.3 | 53% | 0.526 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.4 | -45.9 | 174.4 | -23.7 | 34.8 | 0 | 0 | 0 | 112.4 | R10 K11 L12 | P8-R10 VanDerWaalsContact C-N 3.3Å; P8-R10 PolarHBondContact O-N 3.36Å; P8-K11 PolarHBondContact O-N 3.04Å; P8-K11 VanDerWaalsContact O-N 3.07Å; P8-L12 PolarHBondContact O-N 2.78Å |
| 9 | F | 58.8 | Low | 56.1 | Low | 143 Ų | 143 | 127.3 Ų | 127.3 | 63% | 0.627 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -65.3 | -30.7 | -179.3 | -68.6 | -79.7 | 0 | 0 | 0 | 113 | L6 K11 L12 | L6-F9 PolarHBondContact O-N 3.07Å; F9-K11 VanDerWaalsContact C-N 3.32Å; F9-K11 PolarHBondContact O-N 2.89Å; F9-L12 PolarHBondContact O-N 2.92Å |
| 10 | R | 62.6 | Low | 56 | Low | 210 Ų | 210 | 127.2 Ų | 127.2 | 79% | 0.792 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70 | -23.9 | 172.9 | -82.5 | -174.3 | 167.6 | -171.2 | -5.1 | 114.2 | L6 E7 P8 | L6-R10 PolarHBondContact O-N 2.97Å; E7-R10 PolarHBondContact O-N 3.21Å; P8-R10 VanDerWaalsContact C-N 3.3Å; P8-R10 PolarHBondContact O-N 3.36Å |
| 11 | K | 52.1 | Low | 56.5 | Low | 147 Ų | 147 | 126.8 Ų | 126.8 | 64% | 0.639 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -90.1 | -17.5 | 176.7 | -67 | -172 | 179.3 | -175.1 | 0 | 113.2 | E7 P8 F9 P13 H14 Q15 | E7-K11 PolarHBondContact O-N 3.38Å; P8-K11 PolarHBondContact O-N 3.04Å; P8-K11 VanDerWaalsContact O-N 3.07Å; F9-K11 VanDerWaalsContact C-N 3.32Å; F9-K11 PolarHBondContact O-N 2.89Å; K11-P13 VanDerWaalsContact C-CD 3.48Å; K11-H14 PolarHBondContact O-N 3.2Å; K11-Q15 WeakPolarHBondContact O-CG 3.15Å; K11-Q15 PolarHBondContact O-N 2.93Å |
| 12 | L | 50.3 | Low | 57 | Low | 92 Ų | 92 | 119.2 Ų | 119.2 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -52.3 | -43.2 | -177.6 | -152.3 | 75.6 | 0 | 0 | 0 | 114.2 | P8 F9 H14 Q15 L16 | P8-L12 PolarHBondContact O-N 2.78Å; F9-L12 PolarHBondContact O-N 2.92Å; L12-H14 PolarHBondContact O-N 2.85Å; L12-Q15 PolarHBondContact O-N 2.93Å; L12-L16 HydrophobicContact CD2-CD1 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.25Å; L12-L16 PolarHBondContact O-N 2.87Å |
| 13 | P | 52.6 | Low | 57.1 | Low | 75 Ų | 75 | 122.3 Ų | 122.3 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.5 | -42.3 | -179.7 | -24.1 | 35.7 | 0 | 0 | 0 | 113.9 | K11 L16 Q17 | K11-P13 VanDerWaalsContact C-CD 3.48Å; P13-L16 PolarHBondContact O-N 2.81Å; P13-Q17 WeakPolarHBondContact O-CG 2.72Å; P13-Q17 PolarHBondContact O-N 3.27Å |
| 14 | H | 54.2 | Low | 56.9 | Low | 127 Ų | 127 | 121.5 Ų | 121.5 | 59% | 0.588 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -78.9 | -20.4 | 177.8 | -68.2 | -39.3 | 0 | 0 | 0 | 113.2 | K11 L12 Q17 N18 | K11-H14 PolarHBondContact O-N 3.2Å; L12-H14 PolarHBondContact O-N 2.85Å; H14-Q17 PolarHBondContact ND1-OE1 2.97Å; H14-N18 PolarHBondContact O-ND2 2.81Å |
| 15 | Q | 57.9 | Low | 56.7 | Low | 135 Ų | 135 | 116.4 Ų | 116.4 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.3 | -44.7 | 168 | -67.7 | -84.2 | -87.9 | 0 | 0 | 110.3 | K11 L12 Q17 N18 L19 | K11-Q15 WeakPolarHBondContact O-CG 3.15Å; K11-Q15 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 2.93Å; Q15-Q17 PolarHBondContact O-N 3.09Å; Q15-N18 PolarHBondContact O-N 2.8Å; Q15-N18 VanDerWaalsContact O-N 3.13Å; Q15-L19 PolarHBondContact O-N 3.09Å |
| 16 | L | 57.1 | Low | 56.3 | Low | 86 Ų | 86 | 116.4 Ų | 116.4 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -44.6 | 175.8 | -72.7 | 165 | 0 | 0 | 0 | 112.1 | L12 P13 N18 L19 V22 | L12-L16 HydrophobicContact CD2-CD1 4.46Å; L12-L16 HydrophobicContact CG-CD1 4.16Å; L12-L16 WeakPolarHBondContact O-CB 3.35Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.25Å; L12-L16 PolarHBondContact O-N 2.87Å; P13-L16 PolarHBondContact O-N 2.81Å; L16-N18 PolarHBondContact O-N 2.9Å; L16-N18 VanDerWaalsContact O-N 3.14Å; L16-L19 HydrophobicContact CD2-CD1 3.89Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.21Å; L16-L19 VanDerWaalsContact O-N 3.09Å; L16-V22 WeakPolarHBondContact O-CB 3.4Å; L16-V22 VanDerWaalsContact O-CG2 3.28Å; L16-V22 WeakPolarHBondContact O-CG2 3.24Å |
| 17 | Q | 56.2 | Low | 55.8 | Low | 119 Ų | 119 | 114.3 Ų | 114.3 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -21.8 | 175.9 | -77.4 | 179.9 | -48.5 | 0 | 0 | 114.5 | P13 H14 Q15 | P13-Q17 WeakPolarHBondContact O-CG 2.72Å; P13-Q17 PolarHBondContact O-N 3.27Å; H14-Q17 PolarHBondContact ND1-OE1 2.97Å; Q15-Q17 PolarHBondContact O-N 3.09Å |
| 18 | N | 55 | Low | 55 | Low | 121 Ų | 121 | 118 Ų | 118 | 65% | 0.647 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 0.4 | 178.7 | -76 | -56.1 | 0 | 0 | 0 | 113.5 | H14 Q15 L16 | H14-N18 PolarHBondContact O-ND2 2.81Å; Q15-N18 PolarHBondContact O-N 2.8Å; Q15-N18 VanDerWaalsContact O-N 3.13Å; L16-N18 PolarHBondContact O-N 2.9Å; L16-N18 VanDerWaalsContact O-N 3.14Å |
| 19 | L | 62.9 | Low | 54.7 | Low | 90 Ų | 90 | 119.3 Ų | 119.3 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -68.6 | 135.3 | 169.8 | -70.6 | 174.4 | 0 | 0 | 0 | 110.1 | Q15 L16 I21 V22 K23 | Q15-L19 PolarHBondContact O-N 3.09Å; L16-L19 HydrophobicContact CD2-CD1 3.89Å; L16-L19 WeakPolarHBondContact O-CB 3.37Å; L16-L19 PolarHBondContact O-N 3.21Å; L16-L19 VanDerWaalsContact O-N 3.09Å; L19-I21 PolarHBondContact O-N 3Å; L19-V22 HydrophobicContact CB-CB 4.46Å; L19-V22 HydrophobicContact CB-CG2 4.21Å; L19-V22 PolarHBondContact O-N 2.88Å; L19-K23 PolarHBondContact O-N 3.01Å |
| 20 | E | 55.7 | Low | 54 | Low | 126 Ų | 126 | 117.6 Ų | 117.6 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -33.1 | -178.7 | -161.3 | 176.7 | -102.3 | 0 | 0 | 112.3 | V22 K23 R24 | E20-V22 PolarHBondContact O-N 3.43Å; E20-K23 WeakPolarHBondContact O-CB 3.2Å; E20-K23 PolarHBondContact O-N 3.33Å; E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 3.19Å; E20-R24 IonicContact OE2-CZ 3.51Å; E20-R24 IonicContact OE2-NE 2.72Å; E20-R24 IonicContact OE2-NH2 3.18Å; E20-R24 PolarHBondContact OE2-NH2 3.13Å |
| 21 | I | 64.9 | Low | 52.8 | Low | 118 Ų | 118 | 109.5 Ų | 109.5 | 61% | 0.605 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.6 | -41.1 | 170.3 | -90.5 | 172.8 | 0 | 0 | 0 | 112.4 | L19 R24 I25 | L19-I21 PolarHBondContact O-N 3Å; I21-R24 PolarHBondContact O-N 2.77Å; I21-I25 HydrophobicContact CG2-CD1 3.8Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 3.21Å |
| 22 | V | 60.4 | Low | 52.2 | Low | 54 Ų | 54 | 108.2 Ų | 108.2 | 33% | 0.327 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.7 | -33.1 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | L16 L19 E20 H26 | L16-V22 WeakPolarHBondContact O-CB 3.4Å; L16-V22 VanDerWaalsContact O-CG2 3.28Å; L16-V22 WeakPolarHBondContact O-CG2 3.24Å; L19-V22 HydrophobicContact CB-CB 4.46Å; L19-V22 HydrophobicContact CB-CG2 4.21Å; L19-V22 PolarHBondContact O-N 2.88Å; E20-V22 PolarHBondContact O-N 3.43Å; V22-H26 VanDerWaalsContact O-CB 3.24Å; V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 2.98Å |
| 23 | K | 54.3 | Low | 51.9 | Low | 135 Ų | 135 | 110.6 Ų | 110.6 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.2 | -49.2 | 166.7 | -103.4 | -178.6 | 177.1 | 177.1 | 0 | 112.1 | L19 E20 I25 H26 D27 | L19-K23 PolarHBondContact O-N 3.01Å; E20-K23 WeakPolarHBondContact O-CB 3.2Å; E20-K23 PolarHBondContact O-N 3.33Å; K23-I25 PolarHBondContact O-N 2.82Å; K23-H26 PolarHBondContact O-N 3.42Å; K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.42Å |
| 24 | R | 50.9 | Low | 51.6 | Low | 159 Ų | 159 | 110.9 Ų | 110.9 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 178 | -69.1 | -180 | -159.6 | -161.4 | 7.6 | 111.7 | E20 I21 D27 Y28 | E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 3.19Å; E20-R24 IonicContact OE2-CZ 3.51Å; E20-R24 IonicContact OE2-NE 2.72Å; E20-R24 IonicContact OE2-NH2 3.18Å; E20-R24 PolarHBondContact OE2-NH2 3.13Å; I21-R24 PolarHBondContact O-N 2.77Å; R24-D27 PolarHBondContact O-N 3.03Å; R24-Y28 WeakPolarHBondContact O-CB 3.44Å; R24-Y28 PolarHBondContact O-N 3.01Å |
| 25 | I | 54.8 | Low | 51.5 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.3 | -37.3 | 177 | -68.4 | 166.9 | 0 | 0 | 0 | 111.5 | I21 K23 Y28 T29 | I21-I25 HydrophobicContact CG2-CD1 3.8Å; I21-I25 WeakPolarHBondContact O-CB 3.43Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.3Å; I21-I25 PolarHBondContact O-N 3.21Å; K23-I25 PolarHBondContact O-N 2.82Å; I25-Y28 PolarHBondContact O-N 3.18Å; I25-T29 WeakPolarHBondContact O-CB 3.5Å; I25-T29 WeakPolarHBondContact O-CG2 3.11Å; I25-T29 PolarHBondContact O-N 2.9Å; I25-T29 PolarHBondContact O-OG1 3.44Å |
| 26 | H | 53.2 | Low | 51.8 | Low | 114 Ų | 114 | 103.2 Ų | 103.2 | 53% | 0.528 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -39.4 | 174.7 | -166.9 | 38 | 0 | 0 | 0 | 111.8 | V22 K23 T29 L30 | V22-H26 VanDerWaalsContact O-CB 3.24Å; V22-H26 WeakPolarHBondContact O-CB 3.23Å; V22-H26 PolarHBondContact O-N 2.98Å; K23-H26 PolarHBondContact O-N 3.42Å; H26-T29 WeakPolarHBondContact CA-OG1 3.38Å; H26-T29 PolarHBondContact O-N 3.12Å; H26-T29 PolarHBondContact O-OG1 2.73Å; H26-L30 VanDerWaalsContact O-CB 3.31Å; H26-L30 WeakPolarHBondContact O-CB 3.36Å; H26-L30 VanDerWaalsContact O-CG 3.26Å; H26-L30 WeakPolarHBondContact O-CG 3.42Å; H26-L30 PolarHBondContact O-N 3.22Å |
| 27 | D | 45.4 | Very low | 52.6 | Low | 58 Ų | 58 | 100 Ų | 100 | 31% | 0.31 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 173 | -86.3 | -10 | 0 | 0 | 0 | 112.4 | K23 R24 K32 | K23-D27 WeakPolarHBondContact O-CB 3.42Å; K23-D27 PolarHBondContact O-N 3.42Å; R24-D27 PolarHBondContact O-N 3.03Å; D27-K32 HydrophobicContact CB-CD 3.87Å; D27-K32 WeakPolarHBondContact O-CB 3.45Å; D27-K32 PolarHBondContact O-N 3.19Å; D27-K32 VanDerWaalsContact OD1-CE 3.3Å; D27-K32 WeakPolarHBondContact OD1-CE 3.34Å; D27-K32 IonicContact OD1-NZ 3.12Å; D27-K32 PolarHBondContact OD1-NZ 3.3Å; D27-K32 IonicContact OD2-NZ 3.41Å; D27-K32 PolarHBondContact OD2-NZ 3.12Å |
| 28 | Y | 42.1 | Very low | 53.6 | Low | 189 Ų | 189 | 95.1 Ų | 95.1 | 74% | 0.741 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 173.3 | -131.4 | -89.5 | 0 | 0 | 0 | 111.5 | R24 I25 L30 G31 | R24-Y28 WeakPolarHBondContact O-CB 3.44Å; R24-Y28 PolarHBondContact O-N 3.01Å; I25-Y28 PolarHBondContact O-N 3.18Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.04Å; Y28-G31 PolarHBondContact O-N 3.38Å |
| 29 | T | 47 | Very low | 54.6 | Low | 108 Ų | 108 | 89.9 Ų | 89.9 | 66% | 0.663 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -77.1 | -14.5 | -177.5 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | I25 H26 G31 | I25-T29 WeakPolarHBondContact O-CB 3.5Å; I25-T29 WeakPolarHBondContact O-CG2 3.11Å; I25-T29 PolarHBondContact O-N 2.9Å; I25-T29 PolarHBondContact O-OG1 3.44Å; H26-T29 WeakPolarHBondContact CA-OG1 3.38Å; H26-T29 PolarHBondContact O-N 3.12Å; H26-T29 PolarHBondContact O-OG1 2.73Å; T29-G31 VanDerWaalsContact C-N 3.27Å |
| 30 | L | 45.2 | Very low | 55 | Low | 107 Ų | 107 | 88.7 Ų | 88.7 | 56% | 0.56 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.7 | 169.9 | -78 | 171.5 | 0 | 0 | 0 | 113.6 | H26 Y28 | H26-L30 VanDerWaalsContact O-CB 3.31Å; H26-L30 WeakPolarHBondContact O-CB 3.36Å; H26-L30 VanDerWaalsContact O-CG 3.26Å; H26-L30 WeakPolarHBondContact O-CG 3.42Å; H26-L30 PolarHBondContact O-N 3.22Å; Y28-L30 VanDerWaalsContact C-N 3.33Å; Y28-L30 PolarHBondContact O-N 3.04Å |
| 31 | G | 35.9 | Very low | 55.6 | Low | 39 Ų | 39 | 85 Ų | 85 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y28 T29 H33 | Y28-G31 PolarHBondContact O-N 3.38Å; T29-G31 VanDerWaalsContact C-N 3.27Å; G31-H33 PolarHBondContact O-N 3.09Å |
| 32 | K | 41.3 | Very low | 55.8 | Low | 121 Ų | 121 | 80 Ų | 80 | 53% | 0.526 | 40% | 0.401 | S | S | . | . | trans | -74.5 | 60.9 | 162.8 | -70.7 | -175.2 | 175.4 | 169.3 | 0 | 110.9 | D27 T34 | D27-K32 HydrophobicContact CB-CD 3.87Å; D27-K32 WeakPolarHBondContact O-CB 3.45Å; D27-K32 PolarHBondContact O-N 3.19Å; D27-K32 VanDerWaalsContact OD1-CE 3.3Å; D27-K32 WeakPolarHBondContact OD1-CE 3.34Å; D27-K32 IonicContact OD1-NZ 3.12Å; D27-K32 PolarHBondContact OD1-NZ 3.3Å; D27-K32 IonicContact OD2-NZ 3.41Å; D27-K32 PolarHBondContact OD2-NZ 3.12Å; K32-T34 PolarHBondContact O-N 2.68Å | ||
| 33 | H | 43.9 | Very low | 56.5 | Low | 142 Ų | 142 | 78.4 Ų | 78.4 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | trans | -69.5 | 81.6 | 145.8 | -75.2 | -94.9 | 0 | 0 | 0 | 106.5 | G31 | G31-H33 PolarHBondContact O-N 3.09Š| ||
| 34 | T | 45.8 | Very low | 58 | Low | 81 Ų | 81 | 72.6 Ų | 72.6 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -89.3 | 93.8 | 150.9 | 48.6 | 0 | 0 | 0 | 0 | 105.1 | K32 S36 | K32-T34 PolarHBondContact O-N 2.68Å; T34-S36 PolarHBondContact O-N 3.14Å | ||
| 35 | D | 51.6 | Low | 59.9 | Low | 43 Ų | 43 | 65.5 Ų | 65.5 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | trans | -51.8 | 115 | 160.2 | -50.2 | -73.7 | 0 | 0 | 0 | 105.8 | Y37 | D35-Y37 HydrophobicContact CB-CE2 4.45Å; D35-Y37 WeakPolarHBondContact O-CD2 3.49Å; D35-Y37 WeakPolarHBondContact O-CE2 3.47Å; D35-Y37 PolarHBondContact O-N 3.06Å | ||
| 36 | S | 65.2 | Low | 61.5 | Low | 57 Ų | 57 | 60.8 Ų | 60.8 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 95.5 | -170.5 | 42.3 | 0 | 0 | 0 | 0 | 107.6 | T34 I1261 | T34-S36 PolarHBondContact O-N 3.14Å; S36-I1261 WeakPolarHBondContact O-CA 3.36Å; S36-I1261 WeakPolarHBondContact O-CB 3.31Å; S36-I1261 VanDerWaalsContact O-CD1 3.29Å; S36-I1261 WeakPolarHBondContact O-CD1 3.3Å; S36-I1261 WeakPolarHBondContact O-CG1 3.38Å; S36-I1261 PolarHBondContact O-N 3.29Å |
| 37 | Y | 72.3 | Confident | 63.1 | Low | 20 Ų | 20 | 55.4 Ų | 55.4 | 8% | 0.078 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 144.3 | 172.5 | -58.6 | -109.4 | 0 | 0 | 0 | 109.3 | D35 F1184 N1197 V1209 V1218 F1219 N1259 P1260 | D35-Y37 HydrophobicContact CB-CE2 4.45Å; D35-Y37 WeakPolarHBondContact O-CD2 3.49Å; D35-Y37 WeakPolarHBondContact O-CE2 3.47Å; D35-Y37 PolarHBondContact O-N 3.06Å; Y37-F1184 HydrophobicContact CD1-CD1 4.17Å; Y37-F1184 HydrophobicContact CD1-CE1 4.07Å; Y37-F1184 HydrophobicContact CE1-CB 4.5Å; Y37-F1184 AromaticContact CE1-CD1 3.61Å; Y37-F1184 HydrophobicContact CE1-CD1 3.61Å; Y37-F1184 HydrophobicContact CE1-CD2 4.29Å; Y37-F1184 AromaticContact CE1-CE1 3.77Å; Y37-F1184 HydrophobicContact CE1-CE1 3.77Å; Y37-F1184 HydrophobicContact CE1-CE2 4.43Å; Y37-F1184 AromaticContact CE1-CG 3.88Å; Y37-F1184 HydrophobicContact CE1-CG 3.88Å; Y37-F1184 HydrophobicContact CE1-CZ 4.18Å; Y37-N1197 PolarHBondContact OH-ND2 2.76Å; Y37-V1209 HydrophobicContact CD1-CG2 4.47Å; Y37-V1209 HydrophobicContact CE1-CG1 4.26Å; Y37-V1218 HydrophobicContact CD2-CB 4.44Å; Y37-V1218 HydrophobicContact CD2-CG2 4.07Å; Y37-V1218 HydrophobicContact CE2-CB 4.01Å; Y37-V1218 HydrophobicContact CE2-CG2 3.47Å; Y37-V1218 VanDerWaalsContact CE2-CG2 3.47Å; Y37-F1219 HydrophobicContact CD2-CB 3.91Å; Y37-F1219 HydrophobicContact CG-CB 3.99Å; Y37-F1219 HydrophobicContact CG-CG 4.38Å; Y37-F1219 WeakPolarHBondContact O-CD2 3.37Å; Y37-F1219 WeakPolarHBondContact O-CE2 3.11Å; Y37-N1259 CarbonylContact C-O 3.59Å; Y37-N1259 VanDerWaalsContact CA-O 3.27Å; Y37-N1259 WeakPolarHBondContact CA-O 3.25Å; Y37-P1260 HydrophobicContact CE1-CB 4.46Å |
| 38 | S | 77.3 | Confident | 65.1 | Low | 15 Ų | 15 | 52.7 Ų | 52.7 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 152.5 | 155.7 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | H40 N1259 | S38-H40 VanDerWaalsContact CB-CE1 3.5Å; S38-H40 WeakPolarHBondContact CB-CE1 3.3Å; S38-H40 WeakPolarHBondContact CB-NE2 3.24Å; S38-H40 PolarHBondContact OG-CD2 3.08Å; S38-H40 PolarHBondContact OG-NE2 3.04Å; S38-N1259 PolarHBondContact N-O 3.09Å; S38-N1259 PolarHBondContact O-N 3.07Å; S38-N1259 VanDerWaalsContact O-N 3.15Å |
| 39 | C | 76.7 | Confident | 67 | Low | 12 Ų | 12 | 47.2 Ų | 47.2 | 8% | 0.081 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 127.6 | 160.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | F1219 E1221 C1223 E1257 L1258 | C39-F1219 HydrophobicContact CB-CE1 3.86Å; C39-F1219 HydrophobicContact CB-CZ 3.52Å; C39-E1221 WeakPolarHBondContact CB-OE2 3.35Å; C39-E1221 PolarHBondContact N-OE2 3.47Å; C39-C1223 PolarHBondContact SG-SG 2.57Å; C39-E1257 WeakPolarHBondContact CA-O 3.15Å; C39-L1258 HydrophobicContact CB-CD2 3.73Å |
| 40 | H | 71.3 | Confident | 69.1 | Low | 65 Ų | 65 | 45.2 Ų | 45.2 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.1 | 173.7 | -62.5 | -35.2 | 0 | 0 | 0 | 109.7 | S38 S42 S1256 E1257 T1276 | S38-H40 VanDerWaalsContact CB-CE1 3.5Å; S38-H40 WeakPolarHBondContact CB-CE1 3.3Å; S38-H40 WeakPolarHBondContact CB-NE2 3.24Å; S38-H40 PolarHBondContact OG-CD2 3.08Å; S38-H40 PolarHBondContact OG-NE2 3.04Å; H40-S42 VanDerWaalsContact C-N 3.29Å; H40-S42 PolarHBondContact O-N 3.37Å; H40-S1256 CarbonylContact O-C 3.58Å; H40-S1256 WeakPolarHBondContact O-CA 3.26Å; H40-E1257 PolarHBondContact N-O 3.13Å; H40-E1257 PolarHBondContact O-N 3.14Å; H40-T1276 HydrophobicContact CB-CG2 3.99Å |
| 41 | Q | 69 | Low | 71.4 | Confident | 48 Ų | 48 | 40.3 Ų | 40.3 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 88.1 | 169.6 | -176 | -176.6 | 17.7 | 0 | 0 | 107.6 | V1255 V1274 | Q41-V1255 CarbonylContact C-O 3.48Å; Q41-V1255 WeakPolarHBondContact CA-O 3.48Å; Q41-V1274 WeakPolarHBondContact O-CG1 3.48Å; Q41-V1274 VanDerWaalsContact O-CG2 3.26Å; Q41-V1274 WeakPolarHBondContact O-CG2 3.28Å |
| 42 | S | 67.9 | Low | 74.3 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 10% | 0.098 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | -34.7 | -171.5 | 60 | 0 | 0 | 0 | 0 | 112.8 | H40 V1255 E1257 | H40-S42 VanDerWaalsContact C-N 3.29Å; H40-S42 PolarHBondContact O-N 3.37Å; S42-V1255 PolarHBondContact N-O 3.44Å; S42-V1255 VanDerWaalsContact N-O 3.15Å; S42-E1257 WeakPolarHBondContact CB-OE2 3.43Å |
| 43 | S | 76 | Confident | 76.8 | Confident | 19 Ų | 19 | 35 Ų | 35 | 13% | 0.133 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 165.5 | 175.4 | -78.4 | 0 | 0 | 0 | 0 | 112.1 | Y45 A612 V1255 | S43-Y45 VanDerWaalsContact CB-CZ 3.44Å; S43-Y45 WeakPolarHBondContact CB-OH 3.33Å; S43-A612 PolarHBondContact OG-N 3.48Å; S43-A612 PolarHBondContact OG-O 3.12Å; S43-V1255 PolarHBondContact O-N 2.79Å |
| 44 | A | 85.1 | Confident | 79.3 | Confident | 13 Ų | 13 | 28.9 Ų | 28.9 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 103.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | R1252 L1254 | A44-R1252 PolarHBondContact O-NH2 2.88Å; A44-L1254 HydrophobicContact CB-CD2 3.62Å |
| 45 | Y | 90.2 | Very high | 81.7 | Confident | 11 Ų | 11 | 25.5 Ų | 25.5 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 153.3 | -168.3 | -51.2 | -92.6 | 0 | 0 | 0 | 111.8 | S43 M535 I609 G610 A612 D613 T614 T615 R1252 L1253 V1255 | S43-Y45 VanDerWaalsContact CB-CZ 3.44Å; S43-Y45 WeakPolarHBondContact CB-OH 3.33Å; Y45-M535 VanDerWaalsContact O-CE 3.26Å; Y45-M535 WeakPolarHBondContact O-CE 3.44Å; Y45-I609 HydrophobicContact CD1-CG2 4.32Å; Y45-I609 HydrophobicContact CD2-CG2 4.32Å; Y45-I609 HydrophobicContact CE1-CG2 3.58Å; Y45-I609 HydrophobicContact CE2-CG2 3.63Å; Y45-I609 VanDerWaalsContact OH-CG2 3.29Å; Y45-I609 WeakPolarHBondContact OH-CG2 3.39Å; Y45-G610 PolarHBondContact OH-O 2.75Å; Y45-A612 WeakPolarHBondContact CD1-O 3.11Å; Y45-A612 WeakPolarHBondContact CE1-O 2.8Å; Y45-D613 WeakPolarHBondContact CA-OD1 3.37Å; Y45-T614 WeakPolarHBondContact CD1-O 3.32Å; Y45-T614 WeakPolarHBondContact CE1-O 3.48Å; Y45-T615 HydrophobicContact CD1-CG2 3.64Å; Y45-T615 HydrophobicContact CG-CG2 4.04Å; Y45-R1252 WeakPolarHBondContact O-CA 3.17Å; Y45-L1253 HydrophobicContact CD2-CD2 4.4Å; Y45-L1253 WeakPolarHBondContact CD2-O 3.14Å; Y45-L1253 PolarHBondContact N-O 3.37Å; Y45-L1253 PolarHBondContact O-N 2.8Å; Y45-L1253 VanDerWaalsContact O-N 3.13Å; Y45-V1255 HydrophobicContact CD2-CG2 4.14Å; Y45-V1255 HydrophobicContact CE2-CB 4.32Å; Y45-V1255 HydrophobicContact CE2-CG2 3.61Å |
| 46 | G | 88.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 88.3 | 164.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D613 R1252 | G46-D613 PolarHBondContact N-OD1 3.02Å; G46-R1252 VanDerWaalsContact O-CZ 3.28Å; G46-R1252 PolarHBondContact O-NE 2.83Å; G46-R1252 PolarHBondContact O-NH2 2.93Å |
| 47 | C | 88.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 137.1 | -176.2 | -171.3 | 0 | 0 | 0 | 0 | 112.3 | R512 R1252 | C47-R512 VanDerWaalsContact CB-C 3.49Å; C47-R512 WeakPolarHBondContact CB-O 3.43Å; C47-R1252 VanDerWaalsContact O-CD 3.28Å; C47-R1252 WeakPolarHBondContact O-CD 3.44Å; C47-R1252 WeakPolarHBondContact O-CG 3.17Å; C47-R1252 PolarHBondContact O-NE 2.64Å |
| 48 | P | 86.8 | Confident | 85.8 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.013 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -52 | 148.4 | 167 | -26.7 | 34.7 | 0 | 0 | 0 | 111.6 | P51 T67 K73 L532 | P48-P51 WeakPolarHBondContact O-CD 3.38Å; P48-T67 HydrophobicContact CB-CG2 3.6Å; P48-K73 HydrophobicContact CG-CD 4.36Å; P48-L532 HydrophobicContact CG-CD2 4.39Å |
| 49 | E | 81.7 | Confident | 86.2 | Confident | 73 Ų | 73 | 27.5 Ų | 27.5 | 34% | 0.341 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -68 | 134 | 172.4 | -64.7 | -178.8 | 154.6 | 0 | 0 | 110.2 | K69 | E49-K69 IonicContact OE2-NZ 2.71Å; E49-K69 PolarHBondContact OE2-NZ 3.24Å |
| 50 | S | 90.4 | Very high | 86.7 | Confident | 66 Ų | 66 | 27.6 Ų | 27.6 | 46% | 0.462 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 50.7 | 61.7 | 177.3 | -54.1 | 0 | 0 | 0 | 0 | 114 | T67 S68 | S50-T67 WeakPolarHBondContact O-CA 3.41Å; S50-S68 WeakPolarHBondContact CB-OG 3.36Å; S50-S68 PolarHBondContact O-N 3.4Å |
| 51 | P | 94.9 | Very high | 87.6 | Confident | 5 Ų | 5 | 24.5 Ų | 24.5 | 3% | 0.032 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 143.6 | 170.9 | 27.4 | -29.5 | 0 | 0 | 0 | 110.1 | P48 I65 G66 I473 L509 | P48-P51 WeakPolarHBondContact O-CD 3.38Å; P51-I65 HydrophobicContact CB-CG2 4.1Å; P51-G66 WeakPolarHBondContact CA-O 3.46Å; P51-I473 HydrophobicContact CG-CG1 4.27Å; P51-L509 HydrophobicContact CB-CD2 3.99Å; P51-L509 HydrophobicContact CB-CG 4.48Å |
| 52 | S | 95.4 | Very high | 88.7 | Confident | 41 Ų | 41 | 22.4 Ų | 22.4 | 29% | 0.287 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | -18.1 | -170.7 | 60.8 | 0 | 0 | 0 | 0 | 115 | G66 T67 S68 V91 | S52-G66 PolarHBondContact N-O 2.93Å; S52-T67 VanDerWaalsContact OG-CA 3.29Å; S52-T67 WeakPolarHBondContact OG-CA 3.27Å; S52-T67 PolarHBondContact OG-N 2.94Å; S52-T67 PolarHBondContact OG-O 2.85Å; S52-S68 PolarHBondContact OG-N 3.29Å; S52-V91 WeakPolarHBondContact CB-O 3.24Å; S52-V91 PolarHBondContact OG-O 3.33Å |
| 53 | A | 95.4 | Very high | 90 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 5% | 0.05 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 148.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I65 G66 V91 L94 | A53-I65 WeakPolarHBondContact O-CA 3.29Å; A53-G66 PolarHBondContact N-O 2.83Å; A53-G66 PolarHBondContact O-N 2.99Å; A53-V91 HydrophobicContact CB-CG1 3.96Å; A53-L94 HydrophobicContact CB-CD1 4.32Å; A53-L94 HydrophobicContact CB-CG 4.07Å |
| 54 | L | 96.3 | Very high | 91 | Very high | 15 Ų | 15 | 20.8 Ų | 20.8 | 8% | 0.079 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 140.6 | 179.3 | -175 | 62.6 | 0 | 0 | 0 | 109 | L63 A64 I65 D474 V476 L509 | L54-L63 HydrophobicContact CD1-CD1 3.86Å; L54-L63 HydrophobicContact CD1-CG 4.24Å; L54-A64 WeakPolarHBondContact CA-O 3Å; L54-I65 HydrophobicContact CD1-CG1 4.04Å; L54-D474 HydrophobicContact CB-CB 3.97Å; L54-D474 HydrophobicContact CD2-CB 4.16Å; L54-V476 HydrophobicContact CD2-CG1 4.09Å; L54-V476 HydrophobicContact CD2-CG2 4.13Å; L54-V476 HydrophobicContact CG-CG1 4.35Å; L54-L509 HydrophobicContact CB-CD2 4.47Å; L54-L509 HydrophobicContact CD1-CB 4.4Å; L54-L509 HydrophobicContact CD1-CD2 4.14Å; L54-L509 HydrophobicContact CD2-CB 4.04Å |
| 55 | A | 95.7 | Very high | 91.5 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 8% | 0.083 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 157.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A64 L94 F96 | A55-A64 HydrophobicContact CB-CB 4.36Å; A55-A64 PolarHBondContact N-O 2.93Å; A55-A64 PolarHBondContact O-N 3.14Å; A55-L94 HydrophobicContact CB-CB 3.7Å; A55-F96 HydrophobicContact CB-CD2 4.14Å; A55-F96 HydrophobicContact CB-CE2 4.34Å |
| 56 | F | 94.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 19.8 Ų | 19.8 | 17% | 0.171 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 139.9 | 179.9 | 179.8 | -109 | 0 | 0 | 0 | 110.7 | E58 L62 L63 V478 I575 W576 | F56-E58 HydrophobicContact CD1-CB 4.4Å; F56-E58 HydrophobicContact CE1-CB 4.08Å; F56-L62 CarbonylContact C-O 3.42Å; F56-L62 WeakPolarHBondContact CA-O 3.44Å; F56-L62 WeakPolarHBondContact CD2-O 3.5Å; F56-L63 HydrophobicContact CB-CD1 4.31Å; F56-L63 HydrophobicContact CD2-CB 4.48Å; F56-L63 HydrophobicContact CD2-CD1 4.14Å; F56-V478 HydrophobicContact CD1-CG2 3.86Å; F56-V478 HydrophobicContact CD2-CG2 4.1Å; F56-V478 HydrophobicContact CE1-CB 4.28Å; F56-V478 HydrophobicContact CE1-CG1 3.92Å; F56-V478 HydrophobicContact CE1-CG2 3.77Å; F56-V478 HydrophobicContact CE2-CG1 4.38Å; F56-V478 HydrophobicContact CE2-CG2 4.04Å; F56-V478 HydrophobicContact CG-CG2 4.02Å; F56-V478 HydrophobicContact CZ-CB 4.38Å; F56-V478 HydrophobicContact CZ-CG1 3.68Å; F56-V478 HydrophobicContact CZ-CG2 3.87Å; F56-I575 HydrophobicContact CD2-CD1 4.14Å; F56-I575 HydrophobicContact CE2-CD1 3.77Å; F56-W576 HydrophobicContact CE1-CH2 4.4Å; F56-W576 AromaticContact CZ-CH2 3.87Å; F56-W576 HydrophobicContact CZ-CH2 3.87Å; F56-W576 HydrophobicContact CZ-CZ2 4.39Å; F56-W576 HydrophobicContact CZ-CZ3 4.14Å |
| 57 | D | 92.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.011 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.1 | 169.9 | -172.2 | -44.4 | 0 | 0 | 0 | 109.1 | F59 L60 G61 L62 F96 G99 | D57-F59 VanDerWaalsContact C-N 3.27Å; D57-F59 PolarHBondContact O-N 3.08Å; D57-F59 WeakPolarHBondContact OD1-CA 3.4Å; D57-F59 PolarHBondContact OD1-N 3.43Å; D57-L60 HydrophobicContact CB-CB 4.2Å; D57-L60 PolarHBondContact OD1-N 3.15Å; D57-G61 WeakPolarHBondContact O-CA 3.43Å; D57-G61 PolarHBondContact O-N 2.89Å; D57-L62 HydrophobicContact CB-CB 4.46Å; D57-L62 PolarHBondContact N-O 2.83Å; D57-L62 PolarHBondContact O-N 3.05Å; D57-F96 HydrophobicContact CB-CB 4.01Å; D57-F96 HydrophobicContact CB-CD1 4.07Å; D57-F96 HydrophobicContact CB-CD2 3.9Å; D57-F96 HydrophobicContact CB-CE1 4.49Å; D57-F96 HydrophobicContact CB-CE2 4.31Å; D57-F96 HydrophobicContact CB-CG 3.75Å; D57-G99 PolarHBondContact OD1-N 3.4Å; D57-G99 PolarHBondContact OD2-N 2.86Å |
| 58 | E | 87.4 | Confident | 92.3 | Very high | 79 Ų | 79 | 22.4 Ų | 22.4 | 37% | 0.369 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -15.7 | -177.8 | 70.3 | -177 | 158.5 | 0 | 0 | 114.6 | F56 P500 W576 | F56-E58 HydrophobicContact CD1-CB 4.4Å; F56-E58 HydrophobicContact CE1-CB 4.08Å; E58-P500 HydrophobicContact CB-CG 4.06Å; E58-P500 HydrophobicContact CG-CG 4.43Å; E58-W576 WeakPolarHBondContact O-CZ2 3.32Å |
| 59 | F | 85.5 | Confident | 92.4 | Very high | 56 Ų | 56 | 26.5 Ų | 26.5 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -34.1 | 178.7 | -60.8 | -89.9 | 0 | 0 | 0 | 111.9 | D57 P98 P497 W1287 | D57-F59 VanDerWaalsContact C-N 3.27Å; D57-F59 PolarHBondContact O-N 3.08Å; D57-F59 WeakPolarHBondContact OD1-CA 3.4Å; D57-F59 PolarHBondContact OD1-N 3.43Å; F59-P98 HydrophobicContact CD2-CB 3.65Å; F59-P98 HydrophobicContact CE2-CB 3.69Å; F59-P497 HydrophobicContact CD1-CG 4.49Å; F59-W1287 HydrophobicContact CB-CH2 3.8Å; F59-W1287 HydrophobicContact CB-CZ2 4.38Å |
| 60 | L | 87.6 | Confident | 92.8 | Very high | 14 Ų | 14 | 23 Ų | 23 | 7% | 0.073 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -15.5 | 177.7 | -59.1 | -177.9 | 0 | 0 | 0 | 113.6 | D57 L62 G577 L1284 P1285 W1287 A1288 | D57-L60 HydrophobicContact CB-CB 4.2Å; D57-L60 PolarHBondContact OD1-N 3.15Å; L60-L62 HydrophobicContact CB-CD1 3.88Å; L60-L62 HydrophobicContact CB-CG 3.91Å; L60-L62 HydrophobicContact CD1-CD1 4.06Å; L60-G577 WeakPolarHBondContact O-CA 3.35Å; L60-L1284 HydrophobicContact CD1-CD2 3.75Å; L60-L1284 HydrophobicContact CD2-CD2 3.95Å; L60-P1285 HydrophobicContact CD2-CG 4.23Å; L60-W1287 HydrophobicContact CD2-CH2 4.31Å; L60-A1288 HydrophobicContact CD2-CB 4.3Å |
| 61 | G | 90.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 36.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D57 I575 W576 G577 | D57-G61 WeakPolarHBondContact O-CA 3.43Å; D57-G61 PolarHBondContact O-N 2.89Å; G61-I575 WeakPolarHBondContact O-CG2 3.42Å; G61-W576 VanDerWaalsContact CA-CE2 3.49Å; G61-G577 WeakPolarHBondContact O-CA 3.42Å; G61-G577 PolarHBondContact O-N 3.47Å |
| 62 | L | 92.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 137 | -174.7 | -66.8 | 176.1 | 0 | 0 | 0 | 111.5 | F56 D57 L60 I74 F96 | F56-L62 CarbonylContact C-O 3.42Å; F56-L62 WeakPolarHBondContact CA-O 3.44Å; F56-L62 WeakPolarHBondContact CD2-O 3.5Å; D57-L62 HydrophobicContact CB-CB 4.46Å; D57-L62 PolarHBondContact N-O 2.83Å; D57-L62 PolarHBondContact O-N 3.05Å; L60-L62 HydrophobicContact CB-CD1 3.88Å; L60-L62 HydrophobicContact CB-CG 3.91Å; L60-L62 HydrophobicContact CD1-CD1 4.06Å; L62-I74 HydrophobicContact CB-CG2 4.17Å; L62-I74 HydrophobicContact CD1-CG2 4.44Å; L62-I74 HydrophobicContact CD2-CG2 4.41Å; L62-F96 HydrophobicContact CB-CE1 4.46Å; L62-F96 HydrophobicContact CB-CZ 4.06Å |
| 63 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.2 | -179.4 | -171.6 | 73.8 | 0 | 0 | 0 | 110.4 | L54 F56 I74 Y75 L507 L514 I575 | L54-L63 HydrophobicContact CD1-CD1 3.86Å; L54-L63 HydrophobicContact CD1-CG 4.24Å; F56-L63 HydrophobicContact CB-CD1 4.31Å; F56-L63 HydrophobicContact CD2-CB 4.48Å; F56-L63 HydrophobicContact CD2-CD1 4.14Å; L63-I74 CarbonylContact O-C 3.56Å; L63-I74 WeakPolarHBondContact O-CA 3.47Å; L63-Y75 PolarHBondContact N-O 2.76Å; L63-Y75 PolarHBondContact O-N 2.83Å; L63-L507 HydrophobicContact CD1-CD1 3.77Å; L63-L507 HydrophobicContact CD2-CD1 4.36Å; L63-L514 HydrophobicContact CD2-CD1 4.48Å; L63-L514 HydrophobicContact CD2-CD2 3.66Å; L63-I575 HydrophobicContact CB-CD1 3.99Å; L63-I575 HydrophobicContact CB-CG1 4.38Å; L63-I575 HydrophobicContact CB-CG2 4.37Å; L63-I575 HydrophobicContact CD1-CD1 4.35Å; L63-I575 HydrophobicContact CD2-CD1 4.29Å; L63-I575 HydrophobicContact CD2-CG1 4.43Å; L63-I575 HydrophobicContact CG-CD1 4.46Å |
| 64 | A | 96.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 A55 K73 I74 L94 F96 I103 | L54-A64 WeakPolarHBondContact CA-O 3Å; A55-A64 HydrophobicContact CB-CB 4.36Å; A55-A64 PolarHBondContact N-O 2.93Å; A55-A64 PolarHBondContact O-N 3.14Å; A64-K73 CarbonylContact C-O 3.56Å; A64-K73 WeakPolarHBondContact CA-O 3.49Å; A64-I74 HydrophobicContact CB-CG1 3.88Å; A64-L94 HydrophobicContact CB-CD1 3.9Å; A64-F96 HydrophobicContact CB-CE2 3.6Å; A64-F96 HydrophobicContact CB-CZ 3.72Å; A64-I103 HydrophobicContact CB-CD1 3.46Å; A64-I103 VanDerWaalsContact CB-CD1 3.46Å |
| 65 | I | 96.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.3 | 176.5 | -62.3 | 179.7 | 0 | 0 | 0 | 109.6 | P51 A53 L54 V72 K73 Y75 L509 L532 | P51-I65 HydrophobicContact CB-CG2 4.1Å; A53-I65 WeakPolarHBondContact O-CA 3.29Å; L54-I65 HydrophobicContact CD1-CG1 4.04Å; I65-V72 WeakPolarHBondContact O-CA 3.5Å; I65-K73 PolarHBondContact N-O 2.84Å; I65-K73 PolarHBondContact O-N 2.93Å; I65-Y75 HydrophobicContact CD1-CE2 4.18Å; I65-L509 HydrophobicContact CD1-CD1 3.99Å; I65-L509 HydrophobicContact CD1-CD2 3.95Å; I65-L509 HydrophobicContact CG1-CD2 4.03Å; I65-L509 HydrophobicContact CG2-CD2 3.92Å; I65-L532 HydrophobicContact CD1-CD1 3.42Å; I65-L532 VanDerWaalsContact CD1-CD1 3.42Å; I65-L532 HydrophobicContact CD1-CD2 3.98Å; I65-L532 HydrophobicContact CD1-CG 4.36Å |
| 66 | G | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 159.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | P51 S52 A53 L94 | P51-G66 WeakPolarHBondContact CA-O 3.46Å; S52-G66 PolarHBondContact N-O 2.93Å; A53-G66 PolarHBondContact N-O 2.83Å; A53-G66 PolarHBondContact O-N 2.99Å; G66-L94 VanDerWaalsContact N-CD1 3.31Å |
| 67 | T | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 159.7 | -179 | 60.8 | 0 | 0 | 0 | 0 | 112 | P48 S50 S52 K69 G70 L71 V91 | P48-T67 HydrophobicContact CB-CG2 3.6Å; S50-T67 WeakPolarHBondContact O-CA 3.41Å; S52-T67 VanDerWaalsContact OG-CA 3.29Å; S52-T67 WeakPolarHBondContact OG-CA 3.27Å; S52-T67 PolarHBondContact OG-N 2.94Å; S52-T67 PolarHBondContact OG-O 2.85Å; T67-K69 PolarHBondContact O-N 3.16Å; T67-G70 PolarHBondContact O-N 2.71Å; T67-G70 VanDerWaalsContact O-N 3.11Å; T67-L71 HydrophobicContact CG2-CB 4.43Å; T67-L71 PolarHBondContact N-O 2.97Å; T67-L71 VanDerWaalsContact N-O 3.09Å; T67-L71 WeakPolarHBondContact OG1-CA 3.11Å; T67-L71 WeakPolarHBondContact OG1-CB 3.14Å; T67-L71 PolarHBondContact OG1-N 2.79Å; T67-L71 PolarHBondContact OG1-O 3.46Å; T67-V91 WeakPolarHBondContact O-CG2 3.47Å; T67-V91 PolarHBondContact O-N 3.21Å |
| 68 | S | 93 | Very high | 91.5 | Very high | 53 Ų | 53 | 18.3 Ų | 18.3 | 37% | 0.371 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.3 | 173.5 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | S50 S52 P90 | S50-S68 WeakPolarHBondContact CB-OG 3.36Å; S50-S68 PolarHBondContact O-N 3.4Å; S52-S68 PolarHBondContact OG-N 3.29Å; S68-P90 WeakPolarHBondContact O-CA 3.34Å; S68-P90 WeakPolarHBondContact O-CB 3.49Å; S68-P90 WeakPolarHBondContact O-CG 3.37Å |
| 69 | K | 89.1 | Confident | 91.2 | Very high | 89 Ų | 89 | 14.8 Ų | 14.8 | 39% | 0.387 | 8% | 0.079 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 4.8 | 175.1 | -63.4 | -175.4 | 176.6 | -175.9 | 0 | 113.8 | E49 T67 L71 E87 G88 | E49-K69 IonicContact OE2-NZ 2.71Å; E49-K69 PolarHBondContact OE2-NZ 3.24Å; T67-K69 PolarHBondContact O-N 3.16Å; K69-L71 VanDerWaalsContact C-N 3.25Å; K69-L71 PolarHBondContact O-N 2.69Å; K69-E87 CarbonylContact O-C 3.59Å; K69-E87 WeakPolarHBondContact O-CA 3.26Å; K69-G88 CarbonylContact C-O 3.5Å; K69-G88 PolarHBondContact O-N 2.85Å |
| 70 | G | 90.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 75.9 | 7.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T67 Q85 S89 | T67-G70 PolarHBondContact O-N 2.71Å; T67-G70 VanDerWaalsContact O-N 3.11Å; G70-Q85 WeakPolarHBondContact O-CG 3.45Å; G70-S89 WeakPolarHBondContact CA-O 3.5Å |
| 71 | L | 90 | Very high | 91.1 | Very high | 33 Ų | 33 | 13.2 Ų | 13.2 | 17% | 0.173 | 7% | 0.074 | C | C | . | . | trans | -77.1 | 128.1 | 168.7 | 167 | 67.1 | 0 | 0 | 0 | 109.2 | T67 K69 K73 T83 Q85 | T67-L71 HydrophobicContact CG2-CB 4.43Å; T67-L71 PolarHBondContact N-O 2.97Å; T67-L71 VanDerWaalsContact N-O 3.09Å; T67-L71 WeakPolarHBondContact OG1-CA 3.11Å; T67-L71 WeakPolarHBondContact OG1-CB 3.14Å; T67-L71 PolarHBondContact OG1-N 2.79Å; T67-L71 PolarHBondContact OG1-O 3.46Å; K69-L71 VanDerWaalsContact C-N 3.25Å; K69-L71 PolarHBondContact O-N 2.69Å; L71-K73 HydrophobicContact CD1-CG 4.38Å; L71-T83 HydrophobicContact CD1-CG2 3.57Å; L71-Q85 WeakPolarHBondContact CA-O 3.12Å; L71-Q85 WeakPolarHBondContact CD1-O 3.2Å | ||
| 72 | V | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 123.9 | 170.7 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | I65 V84 Q85 V91 L94 | I65-V72 WeakPolarHBondContact O-CA 3.5Å; V72-V84 HydrophobicContact CB-CB 4.11Å; V72-V84 HydrophobicContact CG1-CB 3.98Å; V72-V84 HydrophobicContact CG1-CG2 4.01Å; V72-V84 PolarHBondContact O-N 3.09Å; V72-Q85 PolarHBondContact N-O 3.39Å; V72-V91 HydrophobicContact CG2-CG2 3.7Å; V72-L94 HydrophobicContact CG1-CD1 4.3Å; V72-L94 HydrophobicContact CG1-CD2 4.11Å; V72-L94 HydrophobicContact CG2-CD2 4.06Å |
| 73 | K | 91.6 | Very high | 90.5 | Very high | 14 Ų | 14 | 17 Ų | 17 | 6% | 0.061 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 148.9 | 172.6 | -81.3 | -167.7 | 170.5 | -157.8 | 0 | 111.4 | P48 A64 I65 L71 Y75 V81 F82 D613 | P48-K73 HydrophobicContact CG-CD 4.36Å; A64-K73 CarbonylContact C-O 3.56Å; A64-K73 WeakPolarHBondContact CA-O 3.49Å; I65-K73 PolarHBondContact N-O 2.84Å; I65-K73 PolarHBondContact O-N 2.93Å; L71-K73 HydrophobicContact CD1-CG 4.38Å; K73-Y75 HydrophobicContact CB-CD2 4.34Å; K73-Y75 HydrophobicContact CB-CE2 3.65Å; K73-Y75 HydrophobicContact CD-CE2 3.87Å; K73-Y75 WeakPolarHBondContact CD-OH 3.47Å; K73-Y75 HydrophobicContact CG-CE2 4.47Å; K73-Y75 PolarHBondContact NZ-OH 3.1Å; K73-V81 HydrophobicContact CD-CG1 4.05Å; K73-F82 VanDerWaalsContact CA-O 3.27Å; K73-F82 WeakPolarHBondContact CA-O 3.24Å; K73-D613 IonicContact NZ-OD2 2.74Å; K73-D613 PolarHBondContact NZ-OD2 3.24Å |
| 74 | I | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.2 | 171.6 | -64.3 | 176.9 | 0 | 0 | 0 | 109.3 | L62 L63 A64 V81 F82 V84 F96 I103 W124 | L62-I74 HydrophobicContact CB-CG2 4.17Å; L62-I74 HydrophobicContact CD1-CG2 4.44Å; L62-I74 HydrophobicContact CD2-CG2 4.41Å; L63-I74 CarbonylContact O-C 3.56Å; L63-I74 WeakPolarHBondContact O-CA 3.47Å; A64-I74 HydrophobicContact CB-CG1 3.88Å; I74-V81 CarbonylContact O-C 3.56Å; I74-V81 VanDerWaalsContact O-CA 3.3Å; I74-V81 WeakPolarHBondContact O-CA 3.35Å; I74-F82 PolarHBondContact N-O 2.87Å; I74-F82 PolarHBondContact O-N 2.99Å; I74-V84 HydrophobicContact CD1-CG2 3.58Å; I74-V84 HydrophobicContact CG1-CG2 3.91Å; I74-F96 HydrophobicContact CD1-CE1 4.04Å; I74-F96 HydrophobicContact CD1-CZ 4.1Å; I74-F96 HydrophobicContact CG1-CZ 4.36Å; I74-F96 HydrophobicContact CG2-CZ 4.25Å; I74-I103 HydrophobicContact CD1-CD1 3.96Å; I74-I103 HydrophobicContact CD1-CG2 4.11Å; I74-I103 HydrophobicContact CG1-CD1 4.42Å; I74-W124 HydrophobicContact CD1-CD2 4.12Å; I74-W124 HydrophobicContact CD1-CE3 4.27Å; I74-W124 HydrophobicContact CD1-CH2 3.58Å; I74-W124 HydrophobicContact CD1-CZ2 3.38Å; I74-W124 HydrophobicContact CD1-CZ3 4.02Å; I74-W124 HydrophobicContact CG2-CZ2 4.31Å |
| 75 | Y | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143.6 | -177.1 | -65.5 | -101.7 | 0 | 0 | 0 | 110.3 | L63 I65 K73 V81 Y531 L532 D613 | L63-Y75 PolarHBondContact N-O 2.76Å; L63-Y75 PolarHBondContact O-N 2.83Å; I65-Y75 HydrophobicContact CD1-CE2 4.18Å; K73-Y75 HydrophobicContact CB-CD2 4.34Å; K73-Y75 HydrophobicContact CB-CE2 3.65Å; K73-Y75 HydrophobicContact CD-CE2 3.87Å; K73-Y75 WeakPolarHBondContact CD-OH 3.47Å; K73-Y75 HydrophobicContact CG-CE2 4.47Å; K73-Y75 PolarHBondContact NZ-OH 3.1Å; Y75-V81 HydrophobicContact CD1-CB 4.4Å; Y75-V81 HydrophobicContact CD1-CG1 4.08Å; Y75-V81 HydrophobicContact CD1-CG2 3.47Å; Y75-V81 VanDerWaalsContact CD1-CG2 3.47Å; Y75-V81 HydrophobicContact CE1-CB 4.47Å; Y75-V81 HydrophobicContact CE1-CG1 3.87Å; Y75-V81 HydrophobicContact CE1-CG2 3.66Å; Y75-V81 HydrophobicContact CE2-CG1 4.45Å; Y75-V81 HydrophobicContact CG-CG1 4.42Å; Y75-V81 HydrophobicContact CG-CG2 4.3Å; Y75-Y531 AromaticContact CD1-CD1 3.93Å; Y75-Y531 HydrophobicContact CD1-CD1 3.93Å; Y75-Y531 AromaticContact CD1-CD2 3.79Å; Y75-Y531 HydrophobicContact CD1-CD2 3.79Å; Y75-Y531 HydrophobicContact CD1-CE1 4.04Å; Y75-Y531 AromaticContact CD1-CE2 3.91Å; Y75-Y531 HydrophobicContact CD1-CE2 3.91Å; Y75-Y531 AromaticContact CD1-CG 3.79Å; Y75-Y531 HydrophobicContact CD1-CG 3.79Å; Y75-Y531 HydrophobicContact CE1-CD2 4.21Å; Y75-Y531 HydrophobicContact CE1-CG 4.12Å; Y75-Y531 HydrophobicContact CG-CE2 4.27Å; Y75-L532 HydrophobicContact CD1-CD1 4.43Å; Y75-L532 HydrophobicContact CD2-CD1 4.4Å; Y75-L532 HydrophobicContact CE1-CD1 4.16Å; Y75-L532 HydrophobicContact CE1-CD2 4.2Å; Y75-L532 HydrophobicContact CE1-CG 3.92Å; Y75-L532 HydrophobicContact CE2-CD1 4.1Å; Y75-L532 HydrophobicContact CE2-CD2 4.13Å; Y75-L532 HydrophobicContact CE2-CG 4.38Å; Y75-L532 WeakPolarHBondContact OH-CD2 3.22Å; Y75-D613 HydrophobicContact CE1-CB 3.8Å; Y75-D613 PolarHBondContact OH-OD2 3.4Å; Y75-D613 VanDerWaalsContact OH-OD2 3.07Å |
| 76 | G | 90 | Very high | 88 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -122.5 | -142.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | I80 Y531 I575 G577 | G76-I80 PolarHBondContact N-O 3.18Å; G76-Y531 WeakPolarHBondContact O-CE1 3.44Å; G76-Y531 PolarHBondContact O-OH 3.2Å; G76-I575 WeakPolarHBondContact O-CG2 3.45Å; G76-G577 CarbonylContact C-O 3.54Å; G76-G577 WeakPolarHBondContact CA-O 3.39Å | ||
| 77 | S | 89.1 | Confident | 86.8 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -59.9 | 159.2 | 167.9 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | G79 I80 I575 G577 G578 | S77-G79 PolarHBondContact O-N 2.8Å; S77-I80 VanDerWaalsContact O-CB 3.31Å; S77-I80 WeakPolarHBondContact O-CB 3.18Å; S77-I80 PolarHBondContact O-N 2.92Å; S77-I80 WeakPolarHBondContact OG-CD1 3.43Å; S77-I575 WeakPolarHBondContact CA-O 3.44Å; S77-G577 PolarHBondContact N-O 2.84Å; S77-G577 PolarHBondContact OG-O 2.9Å; S77-G578 PolarHBondContact OG-O 3.32Å |
| 78 | P | 88.3 | Confident | 86.1 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 21% | 0.214 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 125.7 | -175.7 | -28.8 | 37.1 | 0 | 0 | 0 | 113.5 | P530 F586 S587 T614 | P78-P530 HydrophobicContact CB-CB 4.09Å; P78-P530 HydrophobicContact CG-CB 3.85Å; P78-P530 HydrophobicContact CG-CG 3.97Å; P78-F586 CarbonylContact O-C 3.51Å; P78-S587 PolarHBondContact O-N 2.71Å; P78-S587 VanDerWaalsContact O-N 3.09Å; P78-T614 HydrophobicContact CB-CG2 4.25Å |
| 79 | G | 81.5 | Confident | 86 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 5% | 0.052 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -5.7 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | S77 A612 T614 | S77-G79 PolarHBondContact O-N 2.8Å; G79-A612 WeakPolarHBondContact O-CB 3.43Å; G79-T614 WeakPolarHBondContact CA-OG1 3.33Å; G79-T614 PolarHBondContact N-OG1 2.69Å |
| 80 | I | 85.3 | Confident | 86.2 | Confident | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.015 | 17% | 0.169 | C | C | . | . | trans | -107.5 | 108.7 | 178.5 | -63.3 | -169.8 | 0 | 0 | 0 | 110.9 | G76 S77 F82 F586 I1280 I1282 | G76-I80 PolarHBondContact N-O 3.18Å; S77-I80 VanDerWaalsContact O-CB 3.31Å; S77-I80 WeakPolarHBondContact O-CB 3.18Å; S77-I80 PolarHBondContact O-N 2.92Å; S77-I80 WeakPolarHBondContact OG-CD1 3.43Å; I80-F82 HydrophobicContact CG2-CD2 4.4Å; I80-F82 HydrophobicContact CG2-CE2 3.48Å; I80-F82 VanDerWaalsContact CG2-CE2 3.48Å; I80-F82 HydrophobicContact CG2-CZ 3.96Å; I80-F586 HydrophobicContact CD1-CD2 3.8Å; I80-F586 HydrophobicContact CD1-CE2 4.05Å; I80-F586 HydrophobicContact CG1-CD2 3.84Å; I80-F586 HydrophobicContact CG1-CG 4.38Å; I80-I1280 HydrophobicContact CD1-CG2 4.48Å; I80-I1282 HydrophobicContact CD1-CD1 4.26Å; I80-I1282 HydrophobicContact CD1-CG1 4.43Å; I80-I1282 HydrophobicContact CG2-CD1 3.66Å | ||
| 81 | V | 86.3 | Confident | 86.4 | Confident | 33 Ų | 33 | 30 Ų | 30 | 20% | 0.2 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 133.2 | 171.9 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | K73 I74 Y75 A612 D613 | K73-V81 HydrophobicContact CD-CG1 4.05Å; I74-V81 CarbonylContact O-C 3.56Å; I74-V81 VanDerWaalsContact O-CA 3.3Å; I74-V81 WeakPolarHBondContact O-CA 3.35Å; Y75-V81 HydrophobicContact CD1-CB 4.4Å; Y75-V81 HydrophobicContact CD1-CG1 4.08Å; Y75-V81 HydrophobicContact CD1-CG2 3.47Å; Y75-V81 VanDerWaalsContact CD1-CG2 3.47Å; Y75-V81 HydrophobicContact CE1-CB 4.47Å; Y75-V81 HydrophobicContact CE1-CG1 3.87Å; Y75-V81 HydrophobicContact CE1-CG2 3.66Å; Y75-V81 HydrophobicContact CE2-CG1 4.45Å; Y75-V81 HydrophobicContact CG-CG1 4.42Å; Y75-V81 HydrophobicContact CG-CG2 4.3Å; V81-A612 HydrophobicContact CB-CB 4.07Å; V81-A612 HydrophobicContact CG2-CB 3.83Å; V81-D613 HydrophobicContact CG2-CB 3.93Å |
| 82 | F | 85.4 | Confident | 86.6 | Confident | 30 Ų | 30 | 31.2 Ų | 31.2 | 13% | 0.132 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 155.1 | 174 | -54.2 | -80.2 | 0 | 0 | 0 | 111.4 | K73 I74 I80 G122 W124 I1282 | K73-F82 VanDerWaalsContact CA-O 3.27Å; K73-F82 WeakPolarHBondContact CA-O 3.24Å; I74-F82 PolarHBondContact N-O 2.87Å; I74-F82 PolarHBondContact O-N 2.99Å; I80-F82 HydrophobicContact CG2-CD2 4.4Å; I80-F82 HydrophobicContact CG2-CE2 3.48Å; I80-F82 VanDerWaalsContact CG2-CE2 3.48Å; I80-F82 HydrophobicContact CG2-CZ 3.96Å; F82-G122 WeakPolarHBondContact CD1-O 3.48Å; F82-G122 VanDerWaalsContact CE1-O 3.29Å; F82-G122 WeakPolarHBondContact CE1-O 3.42Å; F82-W124 AromaticContact CD2-NE1 3.92Å; F82-W124 AromaticContact CG-NE1 3.57Å; F82-I1282 HydrophobicContact CE2-CD1 3.32Å; F82-I1282 HydrophobicContact CE2-CG1 4.32Å; F82-I1282 HydrophobicContact CZ-CD1 3.36Å; F82-I1282 HydrophobicContact CZ-CG1 3.87Å |
| 83 | T | 84.6 | Confident | 86.7 | Confident | 55 Ų | 55 | 32.2 Ų | 32.2 | 34% | 0.337 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.4 | 165.4 | -59.1 | 0 | 0 | 0 | 0 | 108.2 | L71 R86 | L71-T83 HydrophobicContact CD1-CG2 3.57Å; T83-R86 HydrophobicContact CG2-CB 4.35Å; T83-R86 HydrophobicContact CG2-CG 3.85Å |
| 84 | V | 86.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 32 Ų | 32 | 10% | 0.103 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -42 | -175.7 | -179 | 0 | 0 | 0 | 0 | 111.2 | V72 I74 I103 F115 W124 | V72-V84 HydrophobicContact CB-CB 4.11Å; V72-V84 HydrophobicContact CG1-CB 3.98Å; V72-V84 HydrophobicContact CG1-CG2 4.01Å; V72-V84 PolarHBondContact O-N 3.09Å; I74-V84 HydrophobicContact CD1-CG2 3.58Å; I74-V84 HydrophobicContact CG1-CG2 3.91Å; V84-I103 HydrophobicContact CG1-CG2 4.4Å; V84-F115 HydrophobicContact CG1-CB 3.69Å; V84-F115 HydrophobicContact CG1-CD1 3.48Å; V84-F115 VanDerWaalsContact CG1-CD1 3.48Å; V84-F115 HydrophobicContact CG1-CD2 3.64Å; V84-F115 HydrophobicContact CG1-CE1 3.92Å; V84-F115 HydrophobicContact CG1-CE2 4.05Å; V84-F115 HydrophobicContact CG1-CG 3.33Å; V84-F115 HydrophobicContact CG1-CZ 4.18Å; V84-W124 HydrophobicContact CB-CB 4.3Å; V84-W124 HydrophobicContact CB-CG 4.45Å; V84-W124 HydrophobicContact CG1-CB 3.98Å; V84-W124 HydrophobicContact CG1-CG 4.39Å; V84-W124 HydrophobicContact CG2-CB 4.17Å; V84-W124 HydrophobicContact CG2-CD2 3.97Å; V84-W124 HydrophobicContact CG2-CE3 4.49Å; V84-W124 HydrophobicContact CG2-CG 3.78Å |
| 85 | Q | 79.6 | Confident | 87 | Confident | 35 Ų | 35 | 33.2 Ų | 33.2 | 16% | 0.164 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 134 | -179.2 | -177.9 | 178.2 | -6.8 | 0 | 0 | 106.4 | G70 L71 V72 F115 | G70-Q85 WeakPolarHBondContact O-CG 3.45Å; L71-Q85 WeakPolarHBondContact CA-O 3.12Å; L71-Q85 WeakPolarHBondContact CD1-O 3.2Å; V72-Q85 PolarHBondContact N-O 3.39Å; Q85-F115 HydrophobicContact CB-CZ 4.2Å |
| 86 | R | 67.7 | Low | 87.1 | Confident | 88 Ų | 88 | 33.7 Ų | 33.7 | 33% | 0.332 | 19% | 0.191 | S | C | . | . | trans | -99.7 | -28.4 | -163.1 | -136.8 | -139.4 | 175.5 | 112.1 | -12.8 | 116 | T83 S1272 D1273 | T83-R86 HydrophobicContact CG2-CB 4.35Å; T83-R86 HydrophobicContact CG2-CG 3.85Å; R86-S1272 PolarHBondContact NH1-O 3.25Å; R86-D1273 VanDerWaalsContact CD-OD1 3.3Å; R86-D1273 WeakPolarHBondContact CD-OD1 3.44Å; R86-D1273 WeakPolarHBondContact CG-OD1 3.28Å; R86-D1273 IonicContact CZ-OD1 2.78Å; R86-D1273 IonicContact NE-OD1 2.78Å; R86-D1273 IonicContact NH1-OD1 2.96Å; R86-D1273 PolarHBondContact NH1-OD1 2.72Å | ||
| 87 | E | 71.5 | Confident | 87.3 | Confident | 145 Ų | 145 | 34 Ų | 34 | 68% | 0.678 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -165.4 | 155.8 | 169 | -116.6 | 170.2 | -160 | 0 | 0 | 108.7 | K69 | K69-E87 CarbonylContact O-C 3.59Å; K69-E87 WeakPolarHBondContact O-CA 3.26Å |
| 88 | G | 80.2 | Confident | 87.2 | Confident | 46 Ų | 46 | 37.1 Ų | 37.1 | 47% | 0.474 | 21% | 0.212 | S | C | . | . | trans | 166.2 | -149 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | K69 | K69-G88 CarbonylContact C-O 3.5Å; K69-G88 PolarHBondContact O-N 2.85Å | ||
| 89 | S | 89.4 | Confident | 87 | Confident | 33 Ų | 33 | 35.7 Ų | 35.7 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -67.2 | 145.3 | 173.7 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | G70 V91 D109 | G70-S89 WeakPolarHBondContact CA-O 3.5Å; S89-V91 PolarHBondContact O-N 3.04Å; S89-D109 PolarHBondContact OG-N 3.29Å; S89-D109 PolarHBondContact OG-OD1 3.4Å |
| 90 | P | 93.3 | Very high | 87.4 | Confident | 54 Ų | 54 | 39.1 Ų | 39.1 | 35% | 0.351 | 22% | 0.218 | S | C | . | . | P | Polyproline II helix | trans | -54 | 130.5 | 179.7 | -24.4 | 30 | 0 | 0 | 0 | 112.9 | S68 I92 S107 A108 | S68-P90 WeakPolarHBondContact O-CA 3.34Å; S68-P90 WeakPolarHBondContact O-CB 3.49Å; S68-P90 WeakPolarHBondContact O-CG 3.37Å; P90-I92 PolarHBondContact O-N 3.13Å; P90-S107 CarbonylContact O-C 3.33Å; P90-S107 VanDerWaalsContact O-CA 3.32Å; P90-S107 WeakPolarHBondContact O-CA 3.37Å; P90-A108 HydrophobicContact CB-CB 4Å; P90-A108 HydrophobicContact CG-CB 4.14Å; P90-A108 PolarHBondContact O-N 2.97Å |
| 91 | V | 95.2 | Very high | 87.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122.4 | 173.8 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | S52 A53 T67 V72 S89 L94 | S52-V91 WeakPolarHBondContact CB-O 3.24Å; S52-V91 PolarHBondContact OG-O 3.33Å; A53-V91 HydrophobicContact CB-CG1 3.96Å; T67-V91 WeakPolarHBondContact O-CG2 3.47Å; T67-V91 PolarHBondContact O-N 3.21Å; V72-V91 HydrophobicContact CG2-CG2 3.7Å; S89-V91 PolarHBondContact O-N 3.04Å; V91-L94 HydrophobicContact CG1-CD2 3.89Å; V91-L94 HydrophobicContact CG1-CG 3.93Å |
| 92 | I | 93.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 38 Ų | 38 | 29% | 0.292 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -42.7 | 175.6 | -66.3 | -173.6 | 0 | 0 | 0 | 110.8 | P90 A106 A108 I141 | P90-I92 PolarHBondContact O-N 3.13Å; I92-A106 PolarHBondContact N-O 3.41Å; I92-A108 HydrophobicContact CD1-CB 3.76Å; I92-A108 HydrophobicContact CG1-CB 4.05Å; I92-I141 WeakPolarHBondContact CD1-O 3.5Å |
| 93 | S | 95.1 | Very high | 88.4 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.9 | -174 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | A106 | S93-A106 PolarHBondContact N-O 3.15Å; S93-A106 PolarHBondContact O-N 3.4Å |
| 94 | L | 96.7 | Very high | 88.9 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 144.8 | 175.4 | -70.2 | 177 | 0 | 0 | 0 | 109 | A53 A55 A64 G66 V72 V91 I103 V104 C105 | A53-L94 HydrophobicContact CB-CD1 4.32Å; A53-L94 HydrophobicContact CB-CG 4.07Å; A55-L94 HydrophobicContact CB-CB 3.7Å; A64-L94 HydrophobicContact CB-CD1 3.9Å; G66-L94 VanDerWaalsContact N-CD1 3.31Å; V72-L94 HydrophobicContact CG1-CD1 4.3Å; V72-L94 HydrophobicContact CG1-CD2 4.11Å; V72-L94 HydrophobicContact CG2-CD2 4.06Å; V91-L94 HydrophobicContact CG1-CD2 3.89Å; V91-L94 HydrophobicContact CG1-CG 3.93Å; L94-I103 HydrophobicContact CB-CD1 4.43Å; L94-I103 HydrophobicContact CD2-CD1 4.13Å; L94-V104 WeakPolarHBondContact CA-O 3.08Å; L94-C105 HydrophobicContact CD2-CB 3.98Å |
| 95 | L | 95.5 | Very high | 89.4 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 125.4 | 176.2 | -179.7 | 140.3 | 0 | 0 | 0 | 110.4 | L97 I103 V104 L146 | L95-L97 HydrophobicContact CD2-CD2 4.13Å; L95-I103 CarbonylContact O-C 3.52Å; L95-I103 WeakPolarHBondContact O-CA 3.42Å; L95-V104 HydrophobicContact CB-CB 4.45Å; L95-V104 HydrophobicContact CD2-CG2 4.34Å; L95-V104 PolarHBondContact N-O 3.34Å; L95-V104 PolarHBondContact O-N 2.91Å; L95-L146 HydrophobicContact CD1-CB 3.76Å; L95-L146 HydrophobicContact CD2-CB 3.77Å; L95-L146 HydrophobicContact CD2-CD1 4.5Å; L95-L146 HydrophobicContact CD2-CD2 4.24Å; L95-L146 HydrophobicContact CD2-CG 4.39Å; L95-L146 HydrophobicContact CG-CB 4.34Å |
| 96 | F | 94.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 4% | 0.044 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 145.7 | 170.2 | -76.3 | -81 | 0 | 0 | 0 | 110.9 | A55 D57 L62 A64 I74 P98 R102 I103 W124 | A55-F96 HydrophobicContact CB-CD2 4.14Å; A55-F96 HydrophobicContact CB-CE2 4.34Å; D57-F96 HydrophobicContact CB-CB 4.01Å; D57-F96 HydrophobicContact CB-CD1 4.07Å; D57-F96 HydrophobicContact CB-CD2 3.9Å; D57-F96 HydrophobicContact CB-CE1 4.49Å; D57-F96 HydrophobicContact CB-CE2 4.31Å; D57-F96 HydrophobicContact CB-CG 3.75Å; L62-F96 HydrophobicContact CB-CE1 4.46Å; L62-F96 HydrophobicContact CB-CZ 4.06Å; A64-F96 HydrophobicContact CB-CE2 3.6Å; A64-F96 HydrophobicContact CB-CZ 3.72Å; I74-F96 HydrophobicContact CD1-CE1 4.04Å; I74-F96 HydrophobicContact CD1-CZ 4.1Å; I74-F96 HydrophobicContact CG1-CZ 4.36Å; I74-F96 HydrophobicContact CG2-CZ 4.25Å; F96-P98 WeakPolarHBondContact O-CD 3.39Å; F96-R102 WeakPolarHBondContact CA-O 3.49Å; F96-I103 HydrophobicContact CD1-CB 4.05Å; F96-I103 HydrophobicContact CD1-CD1 4.4Å; F96-I103 HydrophobicContact CD1-CG1 4.25Å; F96-I103 HydrophobicContact CE1-CB 4.18Å; F96-I103 HydrophobicContact CE1-CD1 4.07Å; F96-I103 HydrophobicContact CE1-CG1 4.37Å; F96-I103 HydrophobicContact CE2-CD1 4.26Å; F96-I103 HydrophobicContact CG-CG1 4.49Å; F96-I103 HydrophobicContact CZ-CD1 4.01Å; F96-W124 HydrophobicContact CE1-CH2 4.28Å |
| 97 | L | 93.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 108 | 160.4 | -56.9 | -174.9 | 0 | 0 | 0 | 106.6 | L95 G99 E100 R102 V104 L114 L146 V165 | L95-L97 HydrophobicContact CD2-CD2 4.13Å; L97-G99 PolarHBondContact O-N 3.28Å; L97-E100 HydrophobicContact CB-CB 4.1Å; L97-E100 HydrophobicContact CB-CG 4.1Å; L97-E100 WeakPolarHBondContact CD1-OE2 2.93Å; L97-E100 PolarHBondContact O-N 2.85Å; L97-R102 HydrophobicContact CB-CB 4.15Å; L97-R102 HydrophobicContact CD1-CB 4Å; L97-R102 HydrophobicContact CG-CB 4.17Å; L97-R102 PolarHBondContact N-O 3.22Å; L97-V104 HydrophobicContact CD2-CG2 4.27Å; L97-L114 HydrophobicContact CD1-CD1 3.86Å; L97-L114 HydrophobicContact CD1-CD2 4.36Å; L97-L114 HydrophobicContact CG-CD1 4.32Å; L97-L146 HydrophobicContact CD2-CD1 3.94Å; L97-L146 HydrophobicContact CD2-CD2 3.89Å; L97-V165 HydrophobicContact CD1-CG2 3.81Å; L97-V165 HydrophobicContact CD2-CG1 4.23Å; L97-V165 HydrophobicContact CD2-CG2 4.4Å |
| 98 | P | 87.3 | Confident | 92.3 | Very high | 68 Ų | 68 | 22.1 Ų | 22.1 | 44% | 0.442 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 120.8 | -158.9 | -26.1 | 34.3 | 0 | 0 | 0 | 113.1 | F59 F96 E100 L146 | F59-P98 HydrophobicContact CD2-CB 3.65Å; F59-P98 HydrophobicContact CE2-CB 3.69Å; F96-P98 WeakPolarHBondContact O-CD 3.39Å; P98-E100 PolarHBondContact O-N 3.4Å; P98-L146 HydrophobicContact CG-CD2 4.42Å |
| 99 | G | 84 | Confident | 92.7 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -4.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | D57 L97 W1287 A1288 | D57-G99 PolarHBondContact OD1-N 3.4Å; D57-G99 PolarHBondContact OD2-N 2.86Å; L97-G99 PolarHBondContact O-N 3.28Å; G99-W1287 WeakPolarHBondContact O-CZ3 3.28Å; G99-A1288 WeakPolarHBondContact O-CB 3.33Å |
| 100 | E | 89 | Confident | 92.8 | Very high | 78 Ų | 78 | 21 Ų | 21 | 36% | 0.364 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -7.7 | -177.4 | -60 | -163 | 164.4 | 0 | 0 | 114.1 | L97 P98 R102 | L97-E100 HydrophobicContact CB-CB 4.1Å; L97-E100 HydrophobicContact CB-CG 4.1Å; L97-E100 WeakPolarHBondContact CD1-OE2 2.93Å; L97-E100 PolarHBondContact O-N 2.85Å; P98-E100 PolarHBondContact O-N 3.4Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 HydrophobicContact CB-CB 4.31Å; E100-R102 HydrophobicContact CB-CG 4.21Å; E100-R102 PolarHBondContact O-N 2.95Å; E100-R102 WeakPolarHBondContact OE2-CD 3.36Å; E100-R102 IonicContact OE2-CZ 3.32Å; E100-R102 IonicContact OE2-NE 3.72Å; E100-R102 IonicContact OE2-NH1 3.73Å; E100-R102 PolarHBondContact OE2-NH1 3.09Å |
| 101 | G | 88.5 | Confident | 92.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 30.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 W124 | G101-L117 WeakPolarHBondContact O-CB 3.42Å; G101-L117 PolarHBondContact O-N 3.05Å; G101-W124 VanDerWaalsContact O-CZ3 3.29Å; G101-W124 WeakPolarHBondContact O-CZ3 3.36Å |
| 102 | R | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 19.2 Ų | 19.2 | 5% | 0.049 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 145 | -176 | -67.5 | 172.7 | -178.9 | 152.6 | -2.9 | 111.7 | F96 L97 E100 L114 F115 E116 | F96-R102 WeakPolarHBondContact CA-O 3.49Å; L97-R102 HydrophobicContact CB-CB 4.15Å; L97-R102 HydrophobicContact CD1-CB 4Å; L97-R102 HydrophobicContact CG-CB 4.17Å; L97-R102 PolarHBondContact N-O 3.22Å; E100-R102 VanDerWaalsContact C-N 3.28Å; E100-R102 HydrophobicContact CB-CB 4.31Å; E100-R102 HydrophobicContact CB-CG 4.21Å; E100-R102 PolarHBondContact O-N 2.95Å; E100-R102 WeakPolarHBondContact OE2-CD 3.36Å; E100-R102 IonicContact OE2-CZ 3.32Å; E100-R102 IonicContact OE2-NE 3.72Å; E100-R102 IonicContact OE2-NH1 3.73Å; E100-R102 PolarHBondContact OE2-NH1 3.09Å; R102-L114 HydrophobicContact CB-CD1 4.06Å; R102-F115 CarbonylContact C-O 3.58Å; R102-F115 WeakPolarHBondContact CA-O 3.3Å; R102-E116 HydrophobicContact CG-CB 3.95Å; R102-E116 HydrophobicContact CG-CG 3.92Å; R102-E116 IonicContact CZ-OE1 2.69Å; R102-E116 IonicContact NE-OE1 3.8Å; R102-E116 PolarHBondContact NE-OE1 2.88Å; R102-E116 IonicContact NH2-OE1 2.68Å; R102-E116 PolarHBondContact NH2-OE1 2.86Å |
| 103 | I | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135.3 | 179.7 | -166.6 | 171.8 | 0 | 0 | 0 | 111.3 | A64 I74 V84 L94 L95 F96 F115 W124 | A64-I103 HydrophobicContact CB-CD1 3.46Å; A64-I103 VanDerWaalsContact CB-CD1 3.46Å; I74-I103 HydrophobicContact CD1-CD1 3.96Å; I74-I103 HydrophobicContact CD1-CG2 4.11Å; I74-I103 HydrophobicContact CG1-CD1 4.42Å; V84-I103 HydrophobicContact CG1-CG2 4.4Å; L94-I103 HydrophobicContact CB-CD1 4.43Å; L94-I103 HydrophobicContact CD2-CD1 4.13Å; L95-I103 CarbonylContact O-C 3.52Å; L95-I103 WeakPolarHBondContact O-CA 3.42Å; F96-I103 HydrophobicContact CD1-CB 4.05Å; F96-I103 HydrophobicContact CD1-CD1 4.4Å; F96-I103 HydrophobicContact CD1-CG1 4.25Å; F96-I103 HydrophobicContact CE1-CB 4.18Å; F96-I103 HydrophobicContact CE1-CD1 4.07Å; F96-I103 HydrophobicContact CE1-CG1 4.37Å; F96-I103 HydrophobicContact CE2-CD1 4.26Å; F96-I103 HydrophobicContact CG-CG1 4.49Å; F96-I103 HydrophobicContact CZ-CD1 4.01Å; I103-F115 HydrophobicContact CG2-CB 3.99Å; I103-F115 HydrophobicContact CG2-CD2 4.41Å; I103-F115 PolarHBondContact N-O 2.82Å; I103-F115 PolarHBondContact O-N 3.01Å; I103-W124 HydrophobicContact CB-CZ3 4.27Å; I103-W124 HydrophobicContact CG2-CE3 3.98Å; I103-W124 HydrophobicContact CG2-CZ3 3.79Å |
| 104 | V | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.2 | 169.7 | -176 | 0 | 0 | 0 | 0 | 108.6 | L94 L95 L97 L112 D113 L114 M144 I151 | L94-V104 WeakPolarHBondContact CA-O 3.08Å; L95-V104 HydrophobicContact CB-CB 4.45Å; L95-V104 HydrophobicContact CD2-CG2 4.34Å; L95-V104 PolarHBondContact N-O 3.34Å; L95-V104 PolarHBondContact O-N 2.91Å; L97-V104 HydrophobicContact CD2-CG2 4.27Å; V104-L112 HydrophobicContact CG1-CD2 4.02Å; V104-L112 HydrophobicContact CG1-CG 4.09Å; V104-D113 CarbonylContact C-O 3.56Å; V104-D113 WeakPolarHBondContact CA-O 3.23Å; V104-L114 HydrophobicContact CG2-CD1 3.9Å; V104-M144 HydrophobicContact CG1-CE 4.04Å; V104-I151 HydrophobicContact CG1-CD1 4.28Å; V104-I151 HydrophobicContact CG2-CD1 3.73Å |
| 105 | C | 96.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.007 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.5 | 171.9 | -179 | 0 | 0 | 0 | 0 | 109.5 | L94 L112 D113 F115 | L94-C105 HydrophobicContact CD2-CB 3.98Å; C105-L112 WeakPolarHBondContact O-CA 3.29Å; C105-D113 PolarHBondContact N-O 3.36Å; C105-D113 PolarHBondContact O-N 3.09Å; C105-F115 HydrophobicContact CB-CD2 4.48Å; C105-F115 HydrophobicContact CB-CE2 3.94Å |
| 106 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I92 S93 T111 L112 M144 | I92-A106 PolarHBondContact N-O 3.41Å; S93-A106 PolarHBondContact N-O 3.15Å; S93-A106 PolarHBondContact O-N 3.4Å; A106-T111 WeakPolarHBondContact CA-O 3.47Å; A106-L112 HydrophobicContact CB-CD1 3.91Å; A106-L112 HydrophobicContact CB-CG 4.3Å; A106-M144 HydrophobicContact CB-CE 3.53Å; A106-M144 HydrophobicContact CB-SD 3.66Å |
| 107 | S | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 153.5 | -177.6 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | P90 D109 G110 T111 | P90-S107 CarbonylContact O-C 3.33Å; P90-S107 VanDerWaalsContact O-CA 3.32Å; P90-S107 WeakPolarHBondContact O-CA 3.37Å; S107-D109 PolarHBondContact O-N 3.11Å; S107-G110 PolarHBondContact O-N 3.29Å; S107-T111 PolarHBondContact N-O 3.22Å |
| 108 | A | 91.1 | Very high | 91.7 | Very high | 33 Ų | 33 | 18.1 Ų | 18.1 | 27% | 0.273 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -12.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115.8 | P90 I92 G110 | P90-A108 HydrophobicContact CB-CB 4Å; P90-A108 HydrophobicContact CG-CB 4.14Å; P90-A108 PolarHBondContact O-N 2.97Å; I92-A108 HydrophobicContact CD1-CB 3.76Å; I92-A108 HydrophobicContact CG1-CB 4.05Å; A108-G110 PolarHBondContact O-N 3.4Å |
| 109 | D | 89.1 | Confident | 91 | Very high | 56 Ų | 56 | 16 Ų | 16 | 30% | 0.299 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.6 | 173.2 | 83 | -54.9 | 0 | 0 | 0 | 113 | S89 S107 T111 K131 | S89-D109 PolarHBondContact OG-N 3.29Å; S89-D109 PolarHBondContact OG-OD1 3.4Å; S107-D109 PolarHBondContact O-N 3.11Å; D109-T111 PolarHBondContact OD1-N 3Å; D109-T111 PolarHBondContact OD1-OG1 2.7Å; D109-T111 VanDerWaalsContact OD2-CG2 3.26Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.31Å; D109-K131 WeakPolarHBondContact O-CE 3.16Å; D109-K131 PolarHBondContact O-NZ 3.03Å; D109-K131 IonicContact OD2-NZ 3.71Å; D109-K131 PolarHBondContact OD2-NZ 3.29Å |
| 110 | G | 90.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 85 | 15.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S107 A108 V132 | S107-G110 PolarHBondContact O-N 3.29Å; A108-G110 PolarHBondContact O-N 3.4Å; G110-V132 PolarHBondContact O-N 3.2Å |
| 111 | T | 92.8 | Very high | 89.4 | Confident | 17 Ų | 17 | 22.9 Ų | 22.9 | 10% | 0.104 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 140.7 | 175.4 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | A106 S107 D109 K131 | A106-T111 WeakPolarHBondContact CA-O 3.47Å; S107-T111 PolarHBondContact N-O 3.22Å; D109-T111 PolarHBondContact OD1-N 3Å; D109-T111 PolarHBondContact OD1-OG1 2.7Å; D109-T111 VanDerWaalsContact OD2-CG2 3.26Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.31Å; T111-K131 HydrophobicContact CG2-CB 4.27Å; T111-K131 HydrophobicContact CG2-CD 3.9Å; T111-K131 HydrophobicContact CG2-CG 4.12Å |
| 112 | L | 95.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 121.7 | 164.6 | -95.1 | 70.1 | 0 | 0 | 0 | 108.5 | V104 C105 A106 R129 V130 V132 I141 M144 I151 I153 M170 | V104-L112 HydrophobicContact CG1-CD2 4.02Å; V104-L112 HydrophobicContact CG1-CG 4.09Å; C105-L112 WeakPolarHBondContact O-CA 3.29Å; A106-L112 HydrophobicContact CB-CD1 3.91Å; A106-L112 HydrophobicContact CB-CG 4.3Å; L112-R129 WeakPolarHBondContact O-CA 3.3Å; L112-V130 PolarHBondContact N-O 2.95Å; L112-V130 PolarHBondContact O-N 2.92Å; L112-V132 HydrophobicContact CD1-CG2 3.94Å; L112-I141 HydrophobicContact CD1-CD1 3.66Å; L112-M144 HydrophobicContact CD1-SD 4.08Å; L112-M144 HydrophobicContact CD2-SD 3.82Å; L112-M144 HydrophobicContact CG-SD 4.02Å; L112-I151 HydrophobicContact CD2-CG2 4.27Å; L112-I153 HydrophobicContact CD1-CD1 3.96Å; L112-I153 HydrophobicContact CD2-CD1 3.57Å; L112-I153 HydrophobicContact CD2-CG1 4.4Å; L112-I153 HydrophobicContact CG-CD1 4.44Å; L112-M170 HydrophobicContact CB-CE 4.2Å; L112-M170 WeakPolarHBondContact O-CE 3.28Å |
| 113 | D | 94.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.8 | 171.7 | -77.6 | -27.9 | 0 | 0 | 0 | 110.5 | V104 C105 F115 R129 | V104-D113 CarbonylContact C-O 3.56Å; V104-D113 WeakPolarHBondContact CA-O 3.23Å; C105-D113 PolarHBondContact N-O 3.36Å; C105-D113 PolarHBondContact O-N 3.09Å; D113-F115 HydrophobicContact CB-CD2 4.15Å; D113-F115 HydrophobicContact CB-CE2 3.4Å; D113-F115 HydrophobicContact CB-CZ 3.75Å; D113-R129 VanDerWaalsContact OD1-CB 3.27Å; D113-R129 WeakPolarHBondContact OD1-CB 3.34Å; D113-R129 VanDerWaalsContact OD1-CG 3.23Å; D113-R129 WeakPolarHBondContact OD1-CG 3.44Å; D113-R129 IonicContact OD1-CZ 3.96Å; D113-R129 IonicContact OD1-NE 3.91Å; D113-R129 PolarHBondContact OD1-NE 3.24Å; D113-R129 IonicContact OD1-NH2 3.91Å; D113-R129 PolarHBondContact OD1-NH2 3.32Å; D113-R129 IonicContact OD2-CZ 3.74Å; D113-R129 IonicContact OD2-NE 3.27Å; D113-R129 PolarHBondContact OD2-NE 3.19Å; D113-R129 IonicContact OD2-NH2 2.73Å; D113-R129 PolarHBondContact OD2-NH2 2.94Å |
| 114 | L | 96.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.8 | 169.6 | 179.1 | 58.3 | 0 | 0 | 0 | 108.9 | L97 R102 V104 S126 T127 S128 V165 G168 M170 | L97-L114 HydrophobicContact CD1-CD1 3.86Å; L97-L114 HydrophobicContact CD1-CD2 4.36Å; L97-L114 HydrophobicContact CG-CD1 4.32Å; R102-L114 HydrophobicContact CB-CD1 4.06Å; V104-L114 HydrophobicContact CG2-CD1 3.9Å; L114-S126 CarbonylContact O-C 3.58Å; L114-S126 WeakPolarHBondContact O-CA 3.2Å; L114-T127 PolarHBondContact O-N 2.79Å; L114-T127 PolarHBondContact O-OG1 2.97Å; L114-S128 PolarHBondContact N-O 3.32Å; L114-V165 HydrophobicContact CD2-CG2 3.86Å; L114-G168 WeakPolarHBondContact CD2-O 3.19Å; L114-M170 HydrophobicContact CB-CE 3.65Å; L114-M170 HydrophobicContact CB-CG 4.3Å; L114-M170 HydrophobicContact CB-SD 3.93Å; L114-M170 HydrophobicContact CD2-CG 3.93Å; L114-M170 HydrophobicContact CD2-SD 4.45Å |
| 115 | F | 94.6 | Very high | 86.8 | Confident | 14 Ų | 14 | 31.8 Ų | 31.8 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 143.1 | 176.8 | -57.7 | -96.4 | 0 | 0 | 0 | 110.7 | V84 Q85 R102 I103 C105 D113 W124 S125 | V84-F115 HydrophobicContact CG1-CB 3.69Å; V84-F115 HydrophobicContact CG1-CD1 3.48Å; V84-F115 VanDerWaalsContact CG1-CD1 3.48Å; V84-F115 HydrophobicContact CG1-CD2 3.64Å; V84-F115 HydrophobicContact CG1-CE1 3.92Å; V84-F115 HydrophobicContact CG1-CE2 4.05Å; V84-F115 HydrophobicContact CG1-CG 3.33Å; V84-F115 HydrophobicContact CG1-CZ 4.18Å; Q85-F115 HydrophobicContact CB-CZ 4.2Å; R102-F115 CarbonylContact C-O 3.58Å; R102-F115 WeakPolarHBondContact CA-O 3.3Å; I103-F115 HydrophobicContact CG2-CB 3.99Å; I103-F115 HydrophobicContact CG2-CD2 4.41Å; I103-F115 PolarHBondContact N-O 2.82Å; I103-F115 PolarHBondContact O-N 3.01Å; C105-F115 HydrophobicContact CB-CD2 4.48Å; C105-F115 HydrophobicContact CB-CE2 3.94Å; D113-F115 HydrophobicContact CB-CD2 4.15Å; D113-F115 HydrophobicContact CB-CE2 3.4Å; D113-F115 HydrophobicContact CB-CZ 3.75Å; F115-W124 HydrophobicContact CB-CE3 4.2Å; F115-S125 CarbonylContact C-O 3.56Å; F115-S125 VanDerWaalsContact CA-O 3.28Å; F115-S125 WeakPolarHBondContact CA-O 3.28Å |
| 116 | E | 92.2 | Very high | 86.5 | Confident | 43 Ų | 43 | 34.7 Ų | 34.7 | 20% | 0.201 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 141 | 179.1 | -178.7 | 168.5 | -124.5 | 0 | 0 | 110.8 | R102 W124 S125 T127 | R102-E116 HydrophobicContact CG-CB 3.95Å; R102-E116 HydrophobicContact CG-CG 3.92Å; R102-E116 IonicContact CZ-OE1 2.69Å; R102-E116 IonicContact NE-OE1 3.8Å; R102-E116 PolarHBondContact NE-OE1 2.88Å; R102-E116 IonicContact NH2-OE1 2.68Å; R102-E116 PolarHBondContact NH2-OE1 2.86Å; E116-W124 CarbonylContact O-C 3.59Å; E116-W124 WeakPolarHBondContact O-CA 3.4Å; E116-S125 PolarHBondContact N-O 3.33Å; E116-S125 PolarHBondContact O-N 3.33Å; E116-S125 PolarHBondContact O-OG 3.32Å; E116-T127 HydrophobicContact CB-CG2 3.5Å; E116-T127 VanDerWaalsContact CB-CG2 3.5Å; E116-T127 HydrophobicContact CG-CG2 4.5Å |
| 117 | L | 88 | Confident | 86.3 | Confident | 7 Ų | 7 | 37.1 Ų | 37.1 | 4% | 0.037 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 114.2 | 177.1 | 175.9 | 60.2 | 0 | 0 | 0 | 111.7 | G101 S119 W124 I1282 L1284 | G101-L117 WeakPolarHBondContact O-CB 3.42Å; G101-L117 PolarHBondContact O-N 3.05Å; L117-S119 PolarHBondContact O-N 2.74Å; L117-W124 HydrophobicContact CB-CD2 4.1Å; L117-W124 HydrophobicContact CB-CE3 4.14Å; L117-W124 HydrophobicContact CB-CH2 3.97Å; L117-W124 HydrophobicContact CB-CZ2 3.92Å; L117-W124 HydrophobicContact CB-CZ3 4.08Å; L117-W124 HydrophobicContact CD1-CD2 4.43Å; L117-W124 HydrophobicContact CD1-CZ2 4.37Å; L117-W124 HydrophobicContact CD2-CZ2 4.07Å; L117-W124 HydrophobicContact CG-CZ2 4.34Å; L117-I1282 HydrophobicContact CD2-CG2 4.44Å; L117-L1284 HydrophobicContact CD2-CD2 4.28Å; L117-L1284 HydrophobicContact CD2-CG 4.42Å |
| 118 | D | 81.8 | Confident | 86.3 | Confident | 44 Ų | 44 | 38 Ų | 38 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 94.8 | 166.2 | -175.1 | -10.5 | 0 | 0 | 0 | 110 | R120 C121 G122 R123 | D118-R120 PolarHBondContact O-N 2.67Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 3.22Å; D118-R120 WeakPolarHBondContact OD1-CG 3.34Å; D118-R120 IonicContact OD1-CZ 2.93Å; D118-R120 PolarHBondContact OD1-N 3.12Å; D118-R120 IonicContact OD1-NE 2.77Å; D118-R120 PolarHBondContact OD1-NE 2.94Å; D118-R120 IonicContact OD1-NH2 2.9Å; D118-R120 IonicContact OD2-CZ 2.76Å; D118-R120 IonicContact OD2-NE 3.49Å; D118-R120 PolarHBondContact OD2-NE 3.32Å; D118-R120 IonicContact OD2-NH2 3.97Å; D118-R120 PolarHBondContact OD2-NH2 3.34Å; D118-C121 PolarHBondContact O-N 3.38Å; D118-G122 PolarHBondContact O-N 2.8Å; D118-R123 PolarHBondContact N-O 2.93Å |
| 119 | S | 72.5 | Confident | 86.5 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -8.3 | 178.1 | 62.6 | 0 | 0 | 0 | 0 | 116 | L117 I1282 | L117-S119 PolarHBondContact O-N 2.74Å; S119-I1282 WeakPolarHBondContact CA-O 3.19Å; S119-I1282 WeakPolarHBondContact CB-O 3.42Å |
| 120 | R | 69.2 | Low | 86.7 | Confident | 191 Ų | 191 | 42.5 Ų | 42.5 | 72% | 0.721 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -23.1 | 173.9 | -54.1 | 168.3 | -63.9 | -177.6 | 4.7 | 113.1 | D118 | D118-R120 PolarHBondContact O-N 2.67Å; D118-R120 VanDerWaalsContact OD1-CB 3.26Å; D118-R120 WeakPolarHBondContact OD1-CB 3.22Å; D118-R120 WeakPolarHBondContact OD1-CG 3.34Å; D118-R120 IonicContact OD1-CZ 2.93Å; D118-R120 PolarHBondContact OD1-N 3.12Å; D118-R120 IonicContact OD1-NE 2.77Å; D118-R120 PolarHBondContact OD1-NE 2.94Å; D118-R120 IonicContact OD1-NH2 2.9Å; D118-R120 IonicContact OD2-CZ 2.76Å; D118-R120 IonicContact OD2-NE 3.49Å; D118-R120 PolarHBondContact OD2-NE 3.32Å; D118-R120 IonicContact OD2-NH2 3.97Å; D118-R120 PolarHBondContact OD2-NH2 3.34Å |
| 121 | C | 68.5 | Low | 86.8 | Confident | 34 Ų | 34 | 48 Ų | 48 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.3 | 1.2 | -175.3 | 69.8 | 0 | 0 | 0 | 0 | 114.8 | D118 R123 F1279 | D118-C121 PolarHBondContact O-N 3.38Å; C121-R123 PolarHBondContact O-N 3.33Å; C121-R123 VanDerWaalsContact O-N 3.15Å; C121-F1279 HydrophobicContact CB-CD1 4.42Å; C121-F1279 HydrophobicContact CB-CE1 3.98Å; C121-F1279 WeakPolarHBondContact O-CD1 3.35Å; C121-F1279 VanDerWaalsContact O-CE1 3.29Å; C121-F1279 WeakPolarHBondContact O-CE1 3.4Å |
| 122 | G | 69.6 | Low | 86.6 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 5% | 0.052 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70 | 5.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F82 D118 | F82-G122 WeakPolarHBondContact CD1-O 3.48Å; F82-G122 VanDerWaalsContact CE1-O 3.29Å; F82-G122 WeakPolarHBondContact CE1-O 3.42Å; D118-G122 PolarHBondContact O-N 2.8Å |
| 123 | R | 76.7 | Confident | 85.4 | Confident | 112 Ų | 112 | 54.4 Ų | 54.4 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 140.4 | -179.2 | -69 | -175.7 | 167.6 | 179.7 | -4.1 | 111 | D118 C121 I1275 | D118-R123 PolarHBondContact N-O 2.93Å; C121-R123 PolarHBondContact O-N 3.33Å; C121-R123 VanDerWaalsContact O-N 3.15Å; R123-I1275 HydrophobicContact CG-CD1 3.95Å |
| 124 | W | 87 | Confident | 84 | Confident | 24 Ų | 24 | 57 Ų | 57 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.8 | 168.9 | -64.6 | 79.2 | 0 | 0 | 0 | 109.5 | I74 F82 V84 F96 G101 I103 F115 E116 L117 | I74-W124 HydrophobicContact CD1-CD2 4.12Å; I74-W124 HydrophobicContact CD1-CE3 4.27Å; I74-W124 HydrophobicContact CD1-CH2 3.58Å; I74-W124 HydrophobicContact CD1-CZ2 3.38Å; I74-W124 HydrophobicContact CD1-CZ3 4.02Å; I74-W124 HydrophobicContact CG2-CZ2 4.31Å; F82-W124 AromaticContact CD2-NE1 3.92Å; F82-W124 AromaticContact CG-NE1 3.57Å; V84-W124 HydrophobicContact CB-CB 4.3Å; V84-W124 HydrophobicContact CB-CG 4.45Å; V84-W124 HydrophobicContact CG1-CB 3.98Å; V84-W124 HydrophobicContact CG1-CG 4.39Å; V84-W124 HydrophobicContact CG2-CB 4.17Å; V84-W124 HydrophobicContact CG2-CD2 3.97Å; V84-W124 HydrophobicContact CG2-CE3 4.49Å; V84-W124 HydrophobicContact CG2-CG 3.78Å; F96-W124 HydrophobicContact CE1-CH2 4.28Å; G101-W124 VanDerWaalsContact O-CZ3 3.29Å; G101-W124 WeakPolarHBondContact O-CZ3 3.36Å; I103-W124 HydrophobicContact CB-CZ3 4.27Å; I103-W124 HydrophobicContact CG2-CE3 3.98Å; I103-W124 HydrophobicContact CG2-CZ3 3.79Å; F115-W124 HydrophobicContact CB-CE3 4.2Å; E116-W124 CarbonylContact O-C 3.59Å; E116-W124 WeakPolarHBondContact O-CA 3.4Å; L117-W124 HydrophobicContact CB-CD2 4.1Å; L117-W124 HydrophobicContact CB-CE3 4.14Å; L117-W124 HydrophobicContact CB-CH2 3.97Å; L117-W124 HydrophobicContact CB-CZ2 3.92Å; L117-W124 HydrophobicContact CB-CZ3 4.08Å; L117-W124 HydrophobicContact CD1-CD2 4.43Å; L117-W124 HydrophobicContact CD1-CZ2 4.37Å; L117-W124 HydrophobicContact CD2-CZ2 4.07Å; L117-W124 HydrophobicContact CG-CZ2 4.34Å |
| 125 | S | 87.8 | Confident | 82.1 | Confident | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 136.9 | 178.5 | 56 | 0 | 0 | 0 | 0 | 110.9 | F115 E116 T127 | F115-S125 CarbonylContact C-O 3.56Å; F115-S125 VanDerWaalsContact CA-O 3.28Å; F115-S125 WeakPolarHBondContact CA-O 3.28Å; E116-S125 PolarHBondContact N-O 3.33Å; E116-S125 PolarHBondContact O-N 3.33Å; E116-S125 PolarHBondContact O-OG 3.32Å; S125-T127 PolarHBondContact O-N 2.83Å |
| 126 | S | 90.4 | Very high | 80.5 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 43% | 0.427 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 120.3 | 175.5 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | L114 | L114-S126 CarbonylContact O-C 3.58Å; L114-S126 WeakPolarHBondContact O-CA 3.2Å |
| 127 | T | 91.4 | Very high | 79.1 | Confident | 52 Ų | 52 | 70.7 Ų | 70.7 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -34.9 | 179.8 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | L114 E116 S125 G168 | L114-T127 PolarHBondContact O-N 2.79Å; L114-T127 PolarHBondContact O-OG1 2.97Å; E116-T127 HydrophobicContact CB-CG2 3.5Å; E116-T127 VanDerWaalsContact CB-CG2 3.5Å; E116-T127 HydrophobicContact CG-CG2 4.5Å; S125-T127 PolarHBondContact O-N 2.83Å; T127-G168 WeakPolarHBondContact CB-O 3.17Å; T127-G168 PolarHBondContact OG1-O 2.97Å |
| 128 | S | 93.3 | Very high | 78.2 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 14% | 0.14 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 141.1 | -177.4 | -160.5 | 0 | 0 | 0 | 0 | 111.5 | L114 G168 M170 | L114-S128 PolarHBondContact N-O 3.32Å; S128-G168 WeakPolarHBondContact CB-O 3.14Å; S128-M170 WeakPolarHBondContact O-CE 3.47Å; S128-M170 PolarHBondContact OG-N 2.82Å; S128-M170 VanDerWaalsContact OG-N 3.12Å |
| 129 | R | 94.2 | Very high | 78.4 | Confident | 168 Ų | 168 | 76.8 Ų | 76.8 | 63% | 0.634 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 127.6 | 176.5 | 172 | 170.5 | -75.5 | 171.6 | -2.4 | 109.2 | L112 D113 | L112-R129 WeakPolarHBondContact O-CA 3.3Å; D113-R129 VanDerWaalsContact OD1-CB 3.27Å; D113-R129 WeakPolarHBondContact OD1-CB 3.34Å; D113-R129 VanDerWaalsContact OD1-CG 3.23Å; D113-R129 WeakPolarHBondContact OD1-CG 3.44Å; D113-R129 IonicContact OD1-CZ 3.96Å; D113-R129 IonicContact OD1-NE 3.91Å; D113-R129 PolarHBondContact OD1-NE 3.24Å; D113-R129 IonicContact OD1-NH2 3.91Å; D113-R129 PolarHBondContact OD1-NH2 3.32Å; D113-R129 IonicContact OD2-CZ 3.74Å; D113-R129 IonicContact OD2-NE 3.27Å; D113-R129 PolarHBondContact OD2-NE 3.19Å; D113-R129 IonicContact OD2-NH2 2.73Å; D113-R129 PolarHBondContact OD2-NH2 2.94Å |
| 130 | V | 93.9 | Very high | 79.2 | Confident | 15 Ų | 15 | 79.3 Ų | 79.3 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.5 | 174.6 | 167.3 | 0 | 0 | 0 | 0 | 108.3 | L112 V163 M170 L172 | L112-V130 PolarHBondContact N-O 2.95Å; L112-V130 PolarHBondContact O-N 2.92Å; V130-V163 HydrophobicContact CG1-CG2 4.34Å; V130-M170 HydrophobicContact CB-CE 4.35Å; V130-M170 HydrophobicContact CG2-CB 3.64Å; V130-M170 HydrophobicContact CG2-CE 4.22Å; V130-L172 HydrophobicContact CG1-CB 3.81Å; V130-L172 HydrophobicContact CG1-CD2 4.43Å |
| 131 | K | 92 | Very high | 80.4 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 50% | 0.504 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.8 | 168.8 | -172.1 | 153.6 | -170.8 | 139.3 | 0 | 109.5 | D109 T111 | D109-K131 WeakPolarHBondContact O-CE 3.16Å; D109-K131 PolarHBondContact O-NZ 3.03Å; D109-K131 IonicContact OD2-NZ 3.71Å; D109-K131 PolarHBondContact OD2-NZ 3.29Å; T111-K131 HydrophobicContact CG2-CB 4.27Å; T111-K131 HydrophobicContact CG2-CD 3.9Å; T111-K131 HydrophobicContact CG2-CG 4.12Å |
| 132 | V | 89.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | trans | -72.4 | 130.8 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | G110 L112 Q134 I141 I153 | G110-V132 PolarHBondContact O-N 3.2Å; L112-V132 HydrophobicContact CD1-CG2 3.94Å; V132-Q134 PolarHBondContact O-N 2.95Å; V132-I141 HydrophobicContact CB-CD1 4.17Å; V132-I141 HydrophobicContact CG2-CD1 3.93Å; V132-I153 HydrophobicContact CG2-CD1 3.74Å | ||
| 133 | Q | 71.3 | Confident | 82.9 | Confident | 147 Ų | 147 | 71.8 Ų | 71.8 | 69% | 0.687 | 37% | 0.368 | S | S | * | . | trans | -82.1 | 83.4 | -170.2 | -171.1 | 168.3 | -9.6 | 0 | 0 | 111.3 | T135 R161 | Q133-T135 PolarHBondContact O-N 2.9Å; Q133-T135 VanDerWaalsContact O-N 3.15Å; Q133-R161 PolarHBondContact O-NH2 3.12Å | ||
| 134 | Q | 64.1 | Low | 83.8 | Confident | 56 Ų | 56 | 67.3 Ų | 67.3 | 26% | 0.262 | 35% | 0.353 | S | S | . | . | trans | -56 | 116.3 | 176.7 | -58.2 | -175.9 | -41 | 0 | 0 | 110.8 | V132 G136 D139 | V132-Q134 PolarHBondContact O-N 2.95Å; Q134-G136 PolarHBondContact O-N 3.22Å; Q134-D139 HydrophobicContact CB-CB 4.38Å; Q134-D139 WeakPolarHBondContact CG-O 3.4Å | ||
| 135 | T | 56.7 | Low | 84.2 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 64% | 0.638 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -79.3 | 66.2 | 178.9 | 14.3 | 0 | 0 | 0 | 0 | 111.6 | Q133 D139 R161 | Q133-T135 PolarHBondContact O-N 2.9Å; Q133-T135 VanDerWaalsContact O-N 3.15Å; T135-D139 PolarHBondContact N-OD2 2.81Å; T135-D139 VanDerWaalsContact N-OD2 3.13Å; T135-D139 PolarHBondContact OG1-OD2 3.44Å; T135-R161 PolarHBondContact OG1-NH2 2.62Å |
| 136 | G | 61.7 | Low | 84.6 | Confident | 48 Ų | 48 | 65.9 Ų | 65.9 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 101.5 | 167.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q134 Q138 D139 | Q134-G136 PolarHBondContact O-N 3.22Å; G136-Q138 PolarHBondContact O-N 2.85Å; G136-D139 PolarHBondContact O-N 2.88Å |
| 137 | E | 61.7 | Low | 84.6 | Confident | 193 Ų | 193 | 63.1 Ų | 63.1 | 90% | 0.902 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.4 | -173.6 | -62.8 | -174.9 | 142.6 | 0 | 0 | 114.9 | ||
| 138 | Q | 69 | Low | 84.4 | Confident | 173 Ų | 173 | 66.8 Ų | 66.8 | 81% | 0.808 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -11 | -176.6 | -67 | -175.5 | -21.4 | 0 | 0 | 114.4 | G136 L140 A156 | G136-Q138 PolarHBondContact O-N 2.85Å; Q138-L140 PolarHBondContact O-N 2.78Å; Q138-A156 WeakPolarHBondContact O-CB 3.24Å |
| 139 | D | 85.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 3% | 0.032 | 34% | 0.344 | C | S | . | . | trans | -82.8 | 58.3 | -178.1 | -172.5 | 40.3 | 0 | 0 | 0 | 111.5 | Q134 T135 G136 S155 S157 R161 | Q134-D139 HydrophobicContact CB-CB 4.38Å; Q134-D139 WeakPolarHBondContact CG-O 3.4Å; T135-D139 PolarHBondContact N-OD2 2.81Å; T135-D139 VanDerWaalsContact N-OD2 3.13Å; T135-D139 PolarHBondContact OG1-OD2 3.44Å; G136-D139 PolarHBondContact O-N 2.88Å; D139-S155 VanDerWaalsContact OD1-CB 3.28Å; D139-S155 WeakPolarHBondContact OD1-CB 3.39Å; D139-S155 PolarHBondContact OD1-OG 3.16Å; D139-S157 WeakPolarHBondContact OD1-CB 2.97Å; D139-S157 PolarHBondContact OD1-OG 3Å; D139-R161 IonicContact OD1-NH1 3.93Å; D139-R161 IonicContact OD2-CZ 3.19Å; D139-R161 IonicContact OD2-NH1 3.49Å; D139-R161 PolarHBondContact OD2-NH1 3.05Å; D139-R161 IonicContact OD2-NH2 2.88Å; D139-R161 PolarHBondContact OD2-NH2 2.81Å | ||
| 140 | L | 91.1 | Very high | 84.2 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 40% | 0.403 | 32% | 0.315 | S | S | . | . | trans | -71.6 | 150 | -177 | -59.1 | -179.7 | 0 | 0 | 0 | 111.8 | Q138 S155 A156 | Q138-L140 PolarHBondContact O-N 2.78Å; L140-S155 CarbonylContact O-C 3.59Å; L140-S155 WeakPolarHBondContact O-CA 3.43Å; L140-S155 WeakPolarHBondContact O-CB 3.48Å; L140-A156 PolarHBondContact O-N 2.58Å | ||
| 141 | I | 94.2 | Very high | 84.4 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 133.4 | 168.9 | -61.1 | 174.9 | 0 | 0 | 0 | 108.3 | I92 L112 V132 I153 | I92-I141 WeakPolarHBondContact CD1-O 3.5Å; L112-I141 HydrophobicContact CD1-CD1 3.66Å; V132-I141 HydrophobicContact CB-CD1 4.17Å; V132-I141 HydrophobicContact CG2-CD1 3.93Å; I141-I153 HydrophobicContact CB-CG2 4.46Å; I141-I153 HydrophobicContact CD1-CG2 4.31Å; I141-I153 HydrophobicContact CG1-CG2 4.06Å; I141-I153 HydrophobicContact CG2-CG2 3.77Å |
| 142 | T | 94.2 | Very high | 84.6 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.301 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -41.3 | -175.9 | 47.4 | 0 | 0 | 0 | 0 | 113 | G154 S155 A156 I203 | T142-G154 PolarHBondContact N-O 2.94Å; T142-G154 PolarHBondContact OG1-O 2.78Å; T142-G154 VanDerWaalsContact OG1-O 3.14Å; T142-S155 PolarHBondContact OG1-N 3.46Å; T142-A156 HydrophobicContact CG2-CB 4.14Å; T142-I203 WeakPolarHBondContact CB-O 3.44Å; T142-I203 PolarHBondContact OG1-O 3.39Å |
| 143 | C | 95.4 | Very high | 85 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 10% | 0.101 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 164.5 | -180 | 57 | 0 | 0 | 0 | 0 | 111.5 | G154 I203 | C143-G154 PolarHBondContact O-N 2.81Å; C143-I203 PolarHBondContact SG-O 3.47Å |
| 144 | M | 96.5 | Very high | 86.1 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.4 | 175.2 | -61.4 | -167 | -57.9 | 0 | 0 | 111.7 | V104 A106 L112 I151 Y152 I153 | V104-M144 HydrophobicContact CG1-CE 4.04Å; A106-M144 HydrophobicContact CB-CE 3.53Å; A106-M144 HydrophobicContact CB-SD 3.66Å; L112-M144 HydrophobicContact CD1-SD 4.08Å; L112-M144 HydrophobicContact CD2-SD 3.82Å; L112-M144 HydrophobicContact CG-SD 4.02Å; M144-I151 HydrophobicContact CB-CG2 4.44Å; M144-I151 HydrophobicContact SD-CG2 4.01Å; M144-Y152 WeakPolarHBondContact CA-O 3.26Å; M144-I153 HydrophobicContact CG-CG1 4.32Å; M144-I153 HydrophobicContact CG-CG2 4.42Å; M144-I153 HydrophobicContact SD-CG1 4.36Å |
| 145 | C | 95.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 43.7 Ų | 43.7 | 8% | 0.081 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 163.3 | 162.7 | 83.4 | 0 | 0 | 0 | 0 | 111.3 | I151 Y152 L206 L215 | C145-I151 CarbonylContact O-C 3.56Å; C145-I151 WeakPolarHBondContact O-CA 3.11Å; C145-Y152 PolarHBondContact N-O 2.85Å; C145-Y152 PolarHBondContact O-N 3.01Å; C145-L206 HydrophobicContact CB-CB 3.96Å; C145-L206 WeakPolarHBondContact CB-O 3.5Å; C145-L215 VanDerWaalsContact SG-CD1 3.52Å |
| 146 | L | 94.5 | Very high | 89.3 | Confident | 43 Ų | 43 | 40.2 Ų | 40.2 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.5 | 176.5 | -179.2 | 75.7 | 0 | 0 | 0 | 110.3 | L95 L97 P98 V150 I151 V165 | L95-L146 HydrophobicContact CD1-CB 3.76Å; L95-L146 HydrophobicContact CD2-CB 3.77Å; L95-L146 HydrophobicContact CD2-CD1 4.5Å; L95-L146 HydrophobicContact CD2-CD2 4.24Å; L95-L146 HydrophobicContact CD2-CG 4.39Å; L95-L146 HydrophobicContact CG-CB 4.34Å; L97-L146 HydrophobicContact CD2-CD1 3.94Å; L97-L146 HydrophobicContact CD2-CD2 3.89Å; P98-L146 HydrophobicContact CG-CD2 4.42Å; L146-V150 CarbonylContact C-O 3.46Å; L146-V150 WeakPolarHBondContact CA-O 3.12Å; L146-I151 HydrophobicContact CD1-CG1 3.88Å; L146-V165 HydrophobicContact CD1-CG1 3.82Å |
| 147 | G | 90.6 | Very high | 90.7 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 131.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G149 V150 | G147-G149 VanDerWaalsContact C-N 3.26Å; G147-G149 PolarHBondContact O-N 2.95Å; G147-G149 VanDerWaalsContact O-N 3.1Å; G147-V150 PolarHBondContact N-O 2.69Å; G147-V150 WeakPolarHBondContact O-CA 3.39Å; G147-V150 WeakPolarHBondContact O-CB 3.1Å; G147-V150 PolarHBondContact O-N 3.39Å |
| 148 | H | 87 | Confident | 92.3 | Very high | 130 Ų | 130 | 30.7 Ų | 30.7 | 60% | 0.602 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.2 | 173.6 | -59.4 | 137.3 | 0 | 0 | 0 | 116.1 | G212 | H148-G212 VanDerWaalsContact CE1-CA 3.48Å; H148-G212 WeakPolarHBondContact CE1-CA 3.21Å; H148-G212 PolarHBondContact CE1-O 3.34Å |
| 149 | G | 90.2 | Very high | 93.5 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 29% | 0.289 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 20.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G147 V165 | G147-G149 VanDerWaalsContact C-N 3.26Å; G147-G149 PolarHBondContact O-N 2.95Å; G147-G149 VanDerWaalsContact O-N 3.1Å; G149-V165 PolarHBondContact O-N 3.19Å |
| 150 | V | 94.7 | Very high | 94 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129 | 172.5 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | L146 G147 Y152 Q162 V163 P344 | L146-V150 CarbonylContact C-O 3.46Å; L146-V150 WeakPolarHBondContact CA-O 3.12Å; G147-V150 PolarHBondContact N-O 2.69Å; G147-V150 WeakPolarHBondContact O-CA 3.39Å; G147-V150 WeakPolarHBondContact O-CB 3.1Å; G147-V150 PolarHBondContact O-N 3.39Å; V150-Y152 HydrophobicContact CB-CE2 3.96Å; V150-Y152 HydrophobicContact CG1-CD1 4.41Å; V150-Y152 HydrophobicContact CG1-CD2 4.41Å; V150-Y152 HydrophobicContact CG1-CE1 4.05Å; V150-Y152 HydrophobicContact CG1-CE2 4.05Å; V150-Q162 HydrophobicContact CG1-CB 3.89Å; V150-Q162 HydrophobicContact CG1-CG 4.13Å; V150-V163 CarbonylContact C-O 3.51Å; V150-V163 WeakPolarHBondContact CA-O 3.49Å; V150-P344 HydrophobicContact CG2-CG 3.69Å |
| 151 | I | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 117.2 | 166.8 | -56.1 | 157.2 | 0 | 0 | 0 | 106.7 | V104 L112 M144 C145 L146 I153 V163 V165 M170 | V104-I151 HydrophobicContact CG1-CD1 4.28Å; V104-I151 HydrophobicContact CG2-CD1 3.73Å; L112-I151 HydrophobicContact CD2-CG2 4.27Å; M144-I151 HydrophobicContact CB-CG2 4.44Å; M144-I151 HydrophobicContact SD-CG2 4.01Å; C145-I151 CarbonylContact O-C 3.56Å; C145-I151 WeakPolarHBondContact O-CA 3.11Å; L146-I151 HydrophobicContact CD1-CG1 3.88Å; I151-I153 HydrophobicContact CG2-CG1 4.14Å; I151-V163 HydrophobicContact CB-CB 4.31Å; I151-V163 HydrophobicContact CD1-CG1 4.46Å; I151-V163 PolarHBondContact N-O 2.78Å; I151-V163 PolarHBondContact O-N 3.08Å; I151-V165 HydrophobicContact CD1-CB 3.99Å; I151-V165 HydrophobicContact CD1-CG1 3.98Å; I151-V165 HydrophobicContact CD1-CG2 4.42Å; I151-V165 HydrophobicContact CG1-CB 4.39Å; I151-V165 HydrophobicContact CG1-CG1 3.85Å; I151-M170 HydrophobicContact CD1-SD 3.86Å |
| 152 | Y | 97.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.008 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 134.9 | 172.5 | -63.7 | -83.2 | 0 | 0 | 0 | 108.7 | M144 C145 V150 L160 Q162 L215 | M144-Y152 WeakPolarHBondContact CA-O 3.26Å; C145-Y152 PolarHBondContact N-O 2.85Å; C145-Y152 PolarHBondContact O-N 3.01Å; V150-Y152 HydrophobicContact CB-CE2 3.96Å; V150-Y152 HydrophobicContact CG1-CD1 4.41Å; V150-Y152 HydrophobicContact CG1-CD2 4.41Å; V150-Y152 HydrophobicContact CG1-CE1 4.05Å; V150-Y152 HydrophobicContact CG1-CE2 4.05Å; Y152-L160 HydrophobicContact CD1-CD2 4.16Å; Y152-Q162 HydrophobicContact CD1-CG 3.87Å; Y152-Q162 HydrophobicContact CE1-CG 3.82Å; Y152-L215 HydrophobicContact CD1-CD2 3.52Å; Y152-L215 HydrophobicContact CD2-CD1 4.31Å; Y152-L215 HydrophobicContact CD2-CD2 4.35Å; Y152-L215 HydrophobicContact CE1-CD2 3.79Å; Y152-L215 HydrophobicContact CG-CD1 4.34Å; Y152-L215 HydrophobicContact CG-CD2 3.83Å |
| 153 | I | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.7 | -173.9 | -52.4 | 177.6 | 0 | 0 | 0 | 108.5 | L112 V132 I141 M144 I151 L160 R161 V163 | L112-I153 HydrophobicContact CD1-CD1 3.96Å; L112-I153 HydrophobicContact CD2-CD1 3.57Å; L112-I153 HydrophobicContact CD2-CG1 4.4Å; L112-I153 HydrophobicContact CG-CD1 4.44Å; V132-I153 HydrophobicContact CG2-CD1 3.74Å; I141-I153 HydrophobicContact CB-CG2 4.46Å; I141-I153 HydrophobicContact CD1-CG2 4.31Å; I141-I153 HydrophobicContact CG1-CG2 4.06Å; I141-I153 HydrophobicContact CG2-CG2 3.77Å; M144-I153 HydrophobicContact CG-CG1 4.32Å; M144-I153 HydrophobicContact CG-CG2 4.42Å; M144-I153 HydrophobicContact SD-CG1 4.36Å; I151-I153 HydrophobicContact CG2-CG1 4.14Å; I153-L160 WeakPolarHBondContact O-CA 3.42Å; I153-R161 HydrophobicContact CB-CB 4.44Å; I153-R161 PolarHBondContact N-O 3.19Å; I153-R161 PolarHBondContact O-N 2.74Å; I153-V163 HydrophobicContact CD1-CG2 3.65Å |
| 154 | G | 95.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 148.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111 | T142 C143 L206 | T142-G154 PolarHBondContact N-O 2.94Å; T142-G154 PolarHBondContact OG1-O 2.78Å; T142-G154 VanDerWaalsContact OG1-O 3.14Å; C143-G154 PolarHBondContact O-N 2.81Å; G154-L206 VanDerWaalsContact N-CD1 3.33Å |
| 155 | S | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 165.4 | 173.6 | 89.8 | 0 | 0 | 0 | 0 | 113.8 | D139 L140 T142 S157 G158 T159 I203 | D139-S155 VanDerWaalsContact OD1-CB 3.28Å; D139-S155 WeakPolarHBondContact OD1-CB 3.39Å; D139-S155 PolarHBondContact OD1-OG 3.16Å; L140-S155 CarbonylContact O-C 3.59Å; L140-S155 WeakPolarHBondContact O-CA 3.43Å; L140-S155 WeakPolarHBondContact O-CB 3.48Å; T142-S155 PolarHBondContact OG1-N 3.46Å; S155-S157 PolarHBondContact O-N 2.91Å; S155-S157 PolarHBondContact OG-N 2.82Å; S155-S157 PolarHBondContact OG-OG 3.29Å; S155-G158 PolarHBondContact O-N 3.21Å; S155-T159 PolarHBondContact N-O 2.85Å; S155-T159 PolarHBondContact OG-O 3.49Å; S155-I203 PolarHBondContact O-N 3.36Å |
| 156 | A | 93.2 | Very high | 94.1 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 26% | 0.256 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -12.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q138 L140 T142 P202 | Q138-A156 WeakPolarHBondContact O-CB 3.24Å; L140-A156 PolarHBondContact O-N 2.58Å; T142-A156 HydrophobicContact CG2-CB 4.14Å; A156-P202 HydrophobicContact CB-CG 4.49Å; A156-P202 WeakPolarHBondContact O-CG 3.42Å |
| 157 | S | 91.8 | Very high | 93.7 | Very high | 42 Ų | 42 | 25.1 Ų | 25.1 | 29% | 0.294 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 10.3 | 178.9 | 67.5 | 0 | 0 | 0 | 0 | 114.5 | D139 S155 T159 D200 | D139-S157 WeakPolarHBondContact OD1-CB 2.97Å; D139-S157 PolarHBondContact OD1-OG 3Å; S155-S157 PolarHBondContact O-N 2.91Å; S155-S157 PolarHBondContact OG-N 2.82Å; S155-S157 PolarHBondContact OG-OG 3.29Å; S157-T159 VanDerWaalsContact C-N 3.29Å; S157-T159 PolarHBondContact O-N 2.87Å; S157-T159 PolarHBondContact OG-OG1 2.76Å; S157-D200 CarbonylContact C-O 3.49Å |
| 158 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 77 | 12.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | S155 V199 S201 Y219 | S155-G158 PolarHBondContact O-N 3.21Å; G158-V199 WeakPolarHBondContact CA-O 3.29Å; G158-S201 WeakPolarHBondContact CA-O 3.28Å; G158-S201 PolarHBondContact N-O 2.83Å; G158-Y219 WeakPolarHBondContact O-CE1 3.43Å; G158-Y219 PolarHBondContact O-OH 3.34Å |
| 159 | T | 94.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 22.6 Ų | 22.6 | 9% | 0.092 | 13% | 0.128 | C | C | . | . | trans | -97 | 122.8 | -176.7 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | S155 S157 R161 A179 T181 | S155-T159 PolarHBondContact N-O 2.85Å; S155-T159 PolarHBondContact OG-O 3.49Å; S157-T159 VanDerWaalsContact C-N 3.29Å; S157-T159 PolarHBondContact O-N 2.87Å; S157-T159 PolarHBondContact OG-OG1 2.76Å; T159-R161 HydrophobicContact CG2-CG 4.23Å; T159-A179 HydrophobicContact CG2-CB 4.08Å; T159-T181 HydrophobicContact CG2-CG2 4.11Å | ||
| 160 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 122 | 169.7 | -174.2 | 81.2 | 0 | 0 | 0 | 109.8 | Y152 I153 A179 C180 I203 L206 L215 I217 P347 | Y152-L160 HydrophobicContact CD1-CD2 4.16Å; I153-L160 WeakPolarHBondContact O-CA 3.42Å; L160-A179 CarbonylContact O-C 3.47Å; L160-A179 WeakPolarHBondContact O-CA 3.41Å; L160-A179 WeakPolarHBondContact O-CB 3.45Å; L160-C180 HydrophobicContact CB-CB 3.96Å; L160-C180 HydrophobicContact CD2-CB 4.14Å; L160-C180 PolarHBondContact N-O 3.3Å; L160-C180 PolarHBondContact O-N 3.12Å; L160-I203 HydrophobicContact CB-CD1 4.09Å; L160-I203 HydrophobicContact CD1-CD1 4.45Å; L160-L206 HydrophobicContact CD1-CD1 3.79Å; L160-L206 HydrophobicContact CD1-CD2 3.48Å; L160-L206 VanDerWaalsContact CD1-CD2 3.48Å; L160-L206 HydrophobicContact CD1-CG 4.31Å; L160-L215 HydrophobicContact CD2-CD2 3.86Å; L160-I217 HydrophobicContact CD2-CD1 3.93Å; L160-P347 HydrophobicContact CD2-CG 3.55Å |
| 161 | R | 95.5 | Very high | 94 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 159.9 | 172.3 | -68.1 | -177.3 | 172 | 110.7 | -0.8 | 111.7 | Q133 T135 D139 I153 T159 D175 A179 | Q133-R161 PolarHBondContact O-NH2 3.12Å; T135-R161 PolarHBondContact OG1-NH2 2.62Å; D139-R161 IonicContact OD1-NH1 3.93Å; D139-R161 IonicContact OD2-CZ 3.19Å; D139-R161 IonicContact OD2-NH1 3.49Å; D139-R161 PolarHBondContact OD2-NH1 3.05Å; D139-R161 IonicContact OD2-NH2 2.88Å; D139-R161 PolarHBondContact OD2-NH2 2.81Å; I153-R161 HydrophobicContact CB-CB 4.44Å; I153-R161 PolarHBondContact N-O 3.19Å; I153-R161 PolarHBondContact O-N 2.74Å; T159-R161 HydrophobicContact CG2-CG 4.23Å; R161-D175 WeakPolarHBondContact CD-OD1 3.34Å; R161-D175 WeakPolarHBondContact CG-OD1 3.26Å; R161-D175 IonicContact CZ-OD1 3.53Å; R161-D175 IonicContact CZ-OD2 2.72Å; R161-D175 VanDerWaalsContact CZ-OD2 3.27Å; R161-D175 VanDerWaalsContact NE-CG 3.31Å; R161-D175 IonicContact NE-OD1 2.7Å; R161-D175 PolarHBondContact NE-OD1 3.16Å; R161-D175 IonicContact NE-OD2 2.91Å; R161-D175 PolarHBondContact NE-OD2 3.12Å; R161-D175 IonicContact NH2-OD2 3.79Å; R161-D175 PolarHBondContact NH2-OD2 3.27Å; R161-A179 HydrophobicContact CG-CB 4.37Å |
| 162 | Q | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.6 | -178.9 | -66.3 | -172.6 | 91.1 | 0 | 0 | 111.3 | V150 Y152 G173 T178 V343 P344 P345 | V150-Q162 HydrophobicContact CG1-CB 3.89Å; V150-Q162 HydrophobicContact CG1-CG 4.13Å; Y152-Q162 HydrophobicContact CD1-CG 3.87Å; Y152-Q162 HydrophobicContact CE1-CG 3.82Å; Q162-G173 PolarHBondContact O-N 3.07Å; Q162-T178 PolarHBondContact NE2-O 3.49Å; Q162-V343 HydrophobicContact CB-CG1 3.78Å; Q162-P344 PolarHBondContact NE2-O 3.37Å; Q162-P345 PolarHBondContact NE2-O 3.47Å |
| 163 | V | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.9 | 171 | 173.6 | 0 | 0 | 0 | 0 | 108.4 | V130 V150 I151 I153 M170 T171 L172 | V130-V163 HydrophobicContact CG1-CG2 4.34Å; V150-V163 CarbonylContact C-O 3.51Å; V150-V163 WeakPolarHBondContact CA-O 3.49Å; I151-V163 HydrophobicContact CB-CB 4.31Å; I151-V163 HydrophobicContact CD1-CG1 4.46Å; I151-V163 PolarHBondContact N-O 2.78Å; I151-V163 PolarHBondContact O-N 3.08Å; I153-V163 HydrophobicContact CD1-CG2 3.65Å; V163-M170 HydrophobicContact CG1-CB 3.81Å; V163-M170 HydrophobicContact CG1-CG 4.24Å; V163-M170 HydrophobicContact CG1-SD 4.27Å; V163-T171 CarbonylContact C-O 3.55Å; V163-T171 VanDerWaalsContact CA-O 3.28Å; V163-T171 WeakPolarHBondContact CA-O 3.13Å; V163-L172 HydrophobicContact CG2-CB 4.3Å; V163-L172 HydrophobicContact CG2-CD1 3.58Å |
| 164 | A | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | M170 T171 L341 V343 | A164-M170 CarbonylContact O-C 3.54Å; A164-M170 VanDerWaalsContact O-CA 3.29Å; A164-M170 WeakPolarHBondContact O-CA 3.43Å; A164-T171 PolarHBondContact N-O 2.92Å; A164-T171 PolarHBondContact O-N 3.07Å; A164-L341 HydrophobicContact CB-CB 3.97Å; A164-V343 HydrophobicContact CB-CB 4.45Å; A164-V343 HydrophobicContact CB-CG2 3.85Å |
| 165 | V | 94.5 | Very high | 93.1 | Very high | 11 Ų | 11 | 33 Ų | 33 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.1 | 178.9 | 62 | 0 | 0 | 0 | 0 | 110.5 | L97 L114 L146 G149 I151 H169 M170 | L97-V165 HydrophobicContact CD1-CG2 3.81Å; L97-V165 HydrophobicContact CD2-CG1 4.23Å; L97-V165 HydrophobicContact CD2-CG2 4.4Å; L114-V165 HydrophobicContact CD2-CG2 3.86Å; L146-V165 HydrophobicContact CD1-CG1 3.82Å; G149-V165 PolarHBondContact O-N 3.19Å; I151-V165 HydrophobicContact CD1-CB 3.99Å; I151-V165 HydrophobicContact CD1-CG1 3.98Å; I151-V165 HydrophobicContact CD1-CG2 4.42Å; I151-V165 HydrophobicContact CG1-CB 4.39Å; I151-V165 HydrophobicContact CG1-CG1 3.85Å; V165-H169 WeakPolarHBondContact CA-O 3.31Å; V165-M170 HydrophobicContact CB-CG 4.22Å; V165-M170 HydrophobicContact CG2-CG 3.93Å |
| 166 | K | 91.3 | Very high | 92.8 | Very high | 131 Ų | 131 | 36.9 Ų | 36.9 | 57% | 0.57 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 137.4 | -180 | -169.1 | 175 | -178.8 | -179.7 | 0 | 110.8 | G168 H169 L341 | K166-G168 PolarHBondContact O-N 3.17Å; K166-H169 PolarHBondContact N-O 2.92Å; K166-H169 PolarHBondContact O-N 3.49Å; K166-L341 HydrophobicContact CB-CD1 3.7Å; K166-L341 HydrophobicContact CB-CD2 3.96Å; K166-L341 HydrophobicContact CD-CD2 4.27Å |
| 167 | N | 86.8 | Confident | 92.6 | Very high | 117 Ų | 117 | 41.5 Ų | 41.5 | 63% | 0.626 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | 27.6 | 173.4 | -62 | 3.6 | 0 | 0 | 0 | 115.2 | H169 | N167-H169 PolarHBondContact O-CD2 2.95Š|
| 168 | G | 86.4 | Confident | 92.7 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 0.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L114 T127 S128 K166 | L114-G168 WeakPolarHBondContact CD2-O 3.19Å; T127-G168 WeakPolarHBondContact CB-O 3.17Å; T127-G168 PolarHBondContact OG1-O 2.97Å; S128-G168 WeakPolarHBondContact CB-O 3.14Å; K166-G168 PolarHBondContact O-N 3.17Å |
| 169 | H | 92.2 | Very high | 92.7 | Very high | 78 Ų | 78 | 40 Ų | 40 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 146.1 | 176.4 | -59.9 | -113.9 | 0 | 0 | 0 | 110.7 | V165 K166 N167 E338 L341 | V165-H169 WeakPolarHBondContact CA-O 3.31Å; K166-H169 PolarHBondContact N-O 2.92Å; K166-H169 PolarHBondContact O-N 3.49Å; N167-H169 PolarHBondContact O-CD2 2.95Å; H169-E338 IonicContact CE1-OE1 3.47Å; H169-E338 IonicContact CE1-OE2 2.74Å; H169-E338 PolarHBondContact CE1-OE2 2.8Å; H169-E338 IonicContact ND1-OE2 3.59Å; H169-E338 PolarHBondContact ND1-OE2 3.41Å; H169-L341 HydrophobicContact CB-CD1 4.31Å; H169-L341 WeakPolarHBondContact O-CD1 3.24Å |
| 170 | M | 94.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.059 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 151.8 | 174.2 | -67 | -169.3 | -63.7 | 0 | 0 | 111.5 | L112 L114 S128 V130 I151 V163 A164 V165 | L112-M170 HydrophobicContact CB-CE 4.2Å; L112-M170 WeakPolarHBondContact O-CE 3.28Å; L114-M170 HydrophobicContact CB-CE 3.65Å; L114-M170 HydrophobicContact CB-CG 4.3Å; L114-M170 HydrophobicContact CB-SD 3.93Å; L114-M170 HydrophobicContact CD2-CG 3.93Å; L114-M170 HydrophobicContact CD2-SD 4.45Å; S128-M170 WeakPolarHBondContact O-CE 3.47Å; S128-M170 PolarHBondContact OG-N 2.82Å; S128-M170 VanDerWaalsContact OG-N 3.12Å; V130-M170 HydrophobicContact CB-CE 4.35Å; V130-M170 HydrophobicContact CG2-CB 3.64Å; V130-M170 HydrophobicContact CG2-CE 4.22Å; I151-M170 HydrophobicContact CD1-SD 3.86Å; V163-M170 HydrophobicContact CG1-CB 3.81Å; V163-M170 HydrophobicContact CG1-CG 4.24Å; V163-M170 HydrophobicContact CG1-SD 4.27Å; A164-M170 CarbonylContact O-C 3.54Å; A164-M170 VanDerWaalsContact O-CA 3.29Å; A164-M170 WeakPolarHBondContact O-CA 3.43Å; V165-M170 HydrophobicContact CB-CG 4.22Å; V165-M170 HydrophobicContact CG2-CG 3.93Å |
| 171 | T | 95.1 | Very high | 92.5 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 18% | 0.184 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 122 | 173 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | V163 A164 L341 V343 | V163-T171 CarbonylContact C-O 3.55Å; V163-T171 VanDerWaalsContact CA-O 3.28Å; V163-T171 WeakPolarHBondContact CA-O 3.13Å; A164-T171 PolarHBondContact N-O 2.92Å; A164-T171 PolarHBondContact O-N 3.07Å; T171-L341 WeakPolarHBondContact CG2-O 3.42Å; T171-L341 PolarHBondContact OG1-N 3.11Å; T171-L341 VanDerWaalsContact OG1-N 3.1Å; T171-V343 HydrophobicContact CG2-CG2 4.08Å; T171-V343 WeakPolarHBondContact O-CG2 3.2Å |
| 172 | L | 94.7 | Very high | 92.3 | Very high | 49 Ų | 49 | 42 Ų | 42 | 26% | 0.257 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 136.6 | 173.9 | -177.3 | 64.1 | 0 | 0 | 0 | 110.5 | V130 V163 | V130-L172 HydrophobicContact CG1-CB 3.81Å; V130-L172 HydrophobicContact CG1-CD2 4.43Å; V163-L172 HydrophobicContact CG2-CB 4.3Å; V163-L172 HydrophobicContact CG2-CD1 3.58Å |
| 173 | G | 92.5 | Very high | 92 | Very high | 10 Ų | 10 | 44.9 Ų | 44.9 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -74.6 | 160.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q162 D175 T178 | Q162-G173 PolarHBondContact O-N 3.07Å; G173-D175 PolarHBondContact O-N 3.06Å; G173-T178 VanDerWaalsContact C-OG1 3.31Å; G173-T178 VanDerWaalsContact CA-OG1 3.32Å; G173-T178 WeakPolarHBondContact CA-OG1 3.31Å |
| 174 | D | 90.7 | Very high | 91.7 | Very high | 99 Ų | 99 | 48.8 Ų | 48.8 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 122.4 | 169.2 | -171.3 | -33.9 | 0 | 0 | 0 | 108.7 | A176 L177 T178 | D174-A176 PolarHBondContact O-N 2.61Å; D174-A176 VanDerWaalsContact O-N 3.13Å; D174-A176 WeakPolarHBondContact OD1-CB 3.08Å; D174-A176 PolarHBondContact OD1-N 3.42Å; D174-L177 PolarHBondContact O-N 2.87Å; D174-T178 PolarHBondContact N-OG1 3.26Å; D174-T178 WeakPolarHBondContact O-CB 3.31Å; D174-T178 PolarHBondContact O-N 3.36Å; D174-T178 PolarHBondContact O-OG1 2.85Å |
| 175 | D | 89.1 | Confident | 91.5 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -53.1 | -32.2 | 178.3 | -86.3 | 4.6 | 0 | 0 | 0 | 111.7 | R161 G173 L177 A179 | R161-D175 WeakPolarHBondContact CD-OD1 3.34Å; R161-D175 WeakPolarHBondContact CG-OD1 3.26Å; R161-D175 IonicContact CZ-OD1 3.53Å; R161-D175 IonicContact CZ-OD2 2.72Å; R161-D175 VanDerWaalsContact CZ-OD2 3.27Å; R161-D175 VanDerWaalsContact NE-CG 3.31Å; R161-D175 IonicContact NE-OD1 2.7Å; R161-D175 PolarHBondContact NE-OD1 3.16Å; R161-D175 IonicContact NE-OD2 2.91Å; R161-D175 PolarHBondContact NE-OD2 3.12Å; R161-D175 IonicContact NH2-OD2 3.79Å; R161-D175 PolarHBondContact NH2-OD2 3.27Å; G173-D175 PolarHBondContact O-N 3.06Å; D175-L177 PolarHBondContact O-N 3.02Å; D175-A179 HydrophobicContact CB-CB 4.24Å; D175-A179 WeakPolarHBondContact O-CB 3.39Å; D175-A179 PolarHBondContact O-N 3.47Å |
| 176 | A | 88.9 | Confident | 91.4 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 70% | 0.702 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -73 | -10.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D174 | D174-A176 PolarHBondContact O-N 2.61Å; D174-A176 VanDerWaalsContact O-N 3.13Å; D174-A176 WeakPolarHBondContact OD1-CB 3.08Å; D174-A176 PolarHBondContact OD1-N 3.42Å |
| 177 | L | 89.5 | Confident | 91.3 | Very high | 127 Ų | 127 | 48.4 Ų | 48.4 | 67% | 0.665 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -127.9 | -27.1 | -177.1 | -63.2 | 175.3 | 0 | 0 | 0 | 113.6 | D174 D175 A346 | D174-L177 PolarHBondContact O-N 2.87Å; D175-L177 PolarHBondContact O-N 3.02Å; L177-A346 PolarHBondContact O-N 2.96Å |
| 178 | T | 93.5 | Very high | 91.3 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.055 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -120.7 | -18.4 | -166.9 | 69.6 | 0 | 0 | 0 | 0 | 114.1 | Q162 G173 D174 V343 P344 A346 | Q162-T178 PolarHBondContact NE2-O 3.49Å; G173-T178 VanDerWaalsContact C-OG1 3.31Å; G173-T178 VanDerWaalsContact CA-OG1 3.32Å; G173-T178 WeakPolarHBondContact CA-OG1 3.31Å; D174-T178 PolarHBondContact N-OG1 3.26Å; D174-T178 WeakPolarHBondContact O-CB 3.31Å; D174-T178 PolarHBondContact O-N 3.36Å; D174-T178 PolarHBondContact O-OG1 2.85Å; T178-V343 HydrophobicContact CG2-CB 4.25Å; T178-V343 HydrophobicContact CG2-CG1 4.08Å; T178-P344 WeakPolarHBondContact CB-O 3.35Å; T178-P344 WeakPolarHBondContact CG2-O 3.41Å; T178-A346 WeakPolarHBondContact O-CA 3.13Å |
| 179 | A | 92.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | trans | -81.1 | 143.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T159 L160 R161 D175 I184 A346 | T159-A179 HydrophobicContact CG2-CB 4.08Å; L160-A179 CarbonylContact O-C 3.47Å; L160-A179 WeakPolarHBondContact O-CA 3.41Å; L160-A179 WeakPolarHBondContact O-CB 3.45Å; R161-A179 HydrophobicContact CG-CB 4.37Å; D175-A179 HydrophobicContact CB-CB 4.24Å; D175-A179 WeakPolarHBondContact O-CB 3.39Å; D175-A179 PolarHBondContact O-N 3.47Å; A179-I184 WeakPolarHBondContact O-CD1 3.13Å; A179-A346 VanDerWaalsContact O-CB 3.32Å; A179-A346 WeakPolarHBondContact O-CB 3.22Å | ||
| 180 | C | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -99 | 103.7 | 165.6 | -155.9 | 0 | 0 | 0 | 0 | 107.8 | L160 P347 | L160-C180 HydrophobicContact CB-CB 3.96Å; L160-C180 HydrophobicContact CD2-CB 4.14Å; L160-C180 PolarHBondContact N-O 3.3Å; L160-C180 PolarHBondContact O-N 3.12Å; C180-P347 HydrophobicContact CB-CG 4.4Å |
| 181 | T | 92.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 48 Ų | 48 | 20% | 0.202 | 29% | 0.291 | C | S | . | . | trans | -88.9 | 157.6 | 179.3 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | T159 S183 I184 I185 | T159-T181 HydrophobicContact CG2-CG2 4.11Å; T181-S183 PolarHBondContact O-N 2.98Å; T181-S183 VanDerWaalsContact O-N 3.12Å; T181-S183 PolarHBondContact OG1-OG 3.42Å; T181-I184 PolarHBondContact O-N 2.88Å; T181-I184 WeakPolarHBondContact OG1-CG1 3.26Å; T181-I184 PolarHBondContact OG1-N 2.99Å; T181-I185 PolarHBondContact O-N 2.88Å | ||
| 182 | S | 90.5 | Very high | 90.3 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -48.6 | -35.9 | 169.3 | 59.8 | 0 | 0 | 0 | 0 | 113.3 | S186 V199 | S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.43Å; S182-S186 PolarHBondContact O-N 3.46Å; S182-S186 PolarHBondContact O-OG 2.98Å; S182-V199 WeakPolarHBondContact CB-O 3.44Å |
| 183 | S | 89.5 | Confident | 89.8 | Confident | 61 Ų | 61 | 53.3 Ų | 53.3 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 174.8 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | T181 I185 S186 D187 | T181-S183 PolarHBondContact O-N 2.98Å; T181-S183 VanDerWaalsContact O-N 3.12Å; T181-S183 PolarHBondContact OG1-OG 3.42Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 2.77Å; S183-S186 PolarHBondContact O-N 2.9Å; S183-D187 WeakPolarHBondContact O-CB 3.36Å; S183-D187 PolarHBondContact O-N 2.65Å |
| 184 | I | 90.4 | Very high | 89.6 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 42% | 0.421 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.9 | -41.5 | 177.9 | -72 | 166.8 | 0 | 0 | 0 | 110.6 | A179 T181 S188 | A179-I184 WeakPolarHBondContact O-CD1 3.13Å; T181-I184 PolarHBondContact O-N 2.88Å; T181-I184 WeakPolarHBondContact OG1-CG1 3.26Å; T181-I184 PolarHBondContact OG1-N 2.99Å; I184-S188 PolarHBondContact O-N 2.8Å |
| 185 | I | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67.7 | -49.7 | 176.6 | -53.6 | -173.9 | 0 | 0 | 0 | 110.1 | T181 S183 D187 S188 V199 Y219 I349 L352 | T181-I185 PolarHBondContact O-N 2.88Å; S183-I185 VanDerWaalsContact C-N 3.31Å; S183-I185 PolarHBondContact O-N 2.77Å; I185-D187 VanDerWaalsContact C-N 3.31Å; I185-D187 PolarHBondContact O-N 2.96Å; I185-S188 PolarHBondContact O-N 3.31Å; I185-S188 VanDerWaalsContact O-N 3.12Å; I185-S188 PolarHBondContact O-OG 2.88Å; I185-V199 HydrophobicContact CB-CG2 4.36Å; I185-V199 HydrophobicContact CG2-CG1 4.22Å; I185-V199 HydrophobicContact CG2-CG2 4.48Å; I185-Y219 HydrophobicContact CD1-CE2 4.08Å; I185-Y219 WeakPolarHBondContact CD1-OH 3.16Å; I185-I349 HydrophobicContact CD1-CD1 3.92Å; I185-I349 HydrophobicContact CD1-CG1 4.36Å; I185-I349 HydrophobicContact CG1-CD1 3.99Å; I185-I349 HydrophobicContact CG1-CG1 3.94Å; I185-I349 HydrophobicContact CG2-CG1 4.38Å; I185-L352 HydrophobicContact CG2-CD2 4.17Å |
| 186 | S | 91.1 | Very high | 89.1 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 19% | 0.189 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 179.6 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | S182 S183 S188 V189 R194 | S182-S186 VanDerWaalsContact O-CB 3.28Å; S182-S186 WeakPolarHBondContact O-CB 3.43Å; S182-S186 PolarHBondContact O-N 3.46Å; S182-S186 PolarHBondContact O-OG 2.98Å; S183-S186 PolarHBondContact O-N 2.9Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 2.88Å; S186-V189 PolarHBondContact O-N 3.01Å; S186-V189 VanDerWaalsContact O-N 3.15Å; S186-R194 WeakPolarHBondContact O-CD 3.47Å; S186-R194 PolarHBondContact O-NE 2.95Å; S186-R194 PolarHBondContact O-NH2 2.89Å |
| 187 | D | 89.5 | Confident | 89.2 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -69.9 | -22.6 | 179.5 | -83.6 | -35.9 | 0 | 0 | 0 | 113.6 | S183 I185 V189 R194 | S183-D187 WeakPolarHBondContact O-CB 3.36Å; S183-D187 PolarHBondContact O-N 2.65Å; I185-D187 VanDerWaalsContact C-N 3.31Å; I185-D187 PolarHBondContact O-N 2.96Å; D187-V189 PolarHBondContact O-N 2.76Å; D187-R194 PolarHBondContact O-NH2 3.22Å; D187-R194 IonicContact OD1-CZ 2.88Å; D187-R194 IonicContact OD1-NH1 3.71Å; D187-R194 PolarHBondContact OD1-NH1 2.96Å; D187-R194 IonicContact OD1-NH2 3.89Å |
| 188 | S | 86.3 | Confident | 89.3 | Confident | 40 Ų | 40 | 53.2 Ų | 53.2 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7.7 | 172.3 | 76.5 | 0 | 0 | 0 | 0 | 114.4 | I184 I185 S186 P401 | I184-S188 PolarHBondContact O-N 2.8Å; I185-S188 PolarHBondContact O-N 3.31Å; I185-S188 VanDerWaalsContact O-N 3.12Å; I185-S188 PolarHBondContact O-OG 2.88Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 2.88Å; S188-P401 VanDerWaalsContact O-CD 3.24Å; S188-P401 WeakPolarHBondContact O-CD 3.32Å |
| 189 | V | 87.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -115.1 | 143.3 | -173 | 179.3 | 0 | 0 | 0 | 0 | 111.4 | S186 D187 K193 R194 L197 L352 P401 I403 | S186-V189 PolarHBondContact O-N 3.01Å; S186-V189 VanDerWaalsContact O-N 3.15Å; D187-V189 PolarHBondContact O-N 2.76Å; V189-K193 HydrophobicContact CG1-CB 3.91Å; V189-R194 PolarHBondContact O-NE 3.1Å; V189-R194 PolarHBondContact O-NH2 2.85Å; V189-L197 HydrophobicContact CB-CD1 4.11Å; V189-L197 HydrophobicContact CG1-CD1 4.25Å; V189-L197 HydrophobicContact CG1-CD2 4.49Å; V189-L197 HydrophobicContact CG2-CD1 3.99Å; V189-L352 HydrophobicContact CG2-CD1 3.51Å; V189-P401 HydrophobicContact CG2-CG 3.93Å; V189-I403 HydrophobicContact CG1-CD1 4.38Å |
| 190 | P | 85.7 | Confident | 89.3 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 34% | 0.338 | 32% | 0.324 | S | S | . | . | trans | -51.3 | 139.3 | 170.7 | -30.7 | 37.4 | 0 | 0 | 0 | 113.7 | D192 K193 | P190-D192 VanDerWaalsContact C-N 3.26Å; P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.46Å; P190-D192 PolarHBondContact O-N 2.93Å; P190-K193 PolarHBondContact O-N 2.89Å | ||
| 191 | V | 86.7 | Confident | 89.4 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.5 | -36.2 | -168.9 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | K193 R194 | V191-K193 PolarHBondContact O-N 2.83Å; V191-K193 VanDerWaalsContact O-N 3.12Å; V191-R194 PolarHBondContact O-N 2.84Å |
| 192 | D | 87.2 | Confident | 89.5 | Confident | 116 Ų | 116 | 60.2 Ų | 60.2 | 62% | 0.62 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.4 | -11 | 178.5 | 59.3 | -64.9 | 0 | 0 | 0 | 114.8 | P190 Q196 | P190-D192 VanDerWaalsContact C-N 3.26Å; P190-D192 VanDerWaalsContact CB-OD1 3.25Å; P190-D192 WeakPolarHBondContact CB-OD1 3.46Å; P190-D192 PolarHBondContact O-N 2.93Å; D192-Q196 PolarHBondContact O-NE2 3.15Å |
| 193 | K | 84.1 | Confident | 89.8 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 32% | 0.322 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -115.1 | -7 | 178.6 | -65 | -167.8 | 177.1 | -172.2 | 0 | 114.7 | V189 P190 V191 D195 Q196 I403 | V189-K193 HydrophobicContact CG1-CB 3.91Å; P190-K193 PolarHBondContact O-N 2.89Å; V191-K193 PolarHBondContact O-N 2.83Å; V191-K193 VanDerWaalsContact O-N 3.12Å; K193-D195 VanDerWaalsContact C-N 3.32Å; K193-D195 PolarHBondContact O-N 3.25Å; K193-Q196 WeakPolarHBondContact O-CB 3.42Å; K193-Q196 PolarHBondContact O-N 2.85Å; K193-I403 HydrophobicContact CD-CD1 3.45Å; K193-I403 VanDerWaalsContact CD-CD1 3.45Å |
| 194 | R | 89 | Confident | 90.2 | Very high | 68 Ų | 68 | 58 Ų | 58 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.7 | -42.1 | -176 | -66.8 | 178.9 | -174.9 | -152.5 | -6.3 | 112.2 | S186 D187 V189 V191 Q196 L197 | S186-R194 WeakPolarHBondContact O-CD 3.47Å; S186-R194 PolarHBondContact O-NE 2.95Å; S186-R194 PolarHBondContact O-NH2 2.89Å; D187-R194 PolarHBondContact O-NH2 3.22Å; D187-R194 IonicContact OD1-CZ 2.88Å; D187-R194 IonicContact OD1-NH1 3.71Å; D187-R194 PolarHBondContact OD1-NH1 2.96Å; D187-R194 IonicContact OD1-NH2 3.89Å; V189-R194 PolarHBondContact O-NE 3.1Å; V189-R194 PolarHBondContact O-NH2 2.85Å; V191-R194 PolarHBondContact O-N 2.84Å; R194-Q196 PolarHBondContact O-N 3.1Å; R194-Q196 VanDerWaalsContact O-N 3.08Å; R194-L197 WeakPolarHBondContact O-CB 3.18Å; R194-L197 WeakPolarHBondContact O-CG 3.16Å; R194-L197 PolarHBondContact O-N 3.47Å |
| 195 | D | 85.3 | Confident | 90.5 | Very high | 159 Ų | 159 | 54.2 Ų | 54.2 | 85% | 0.85 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.8 | 178 | -54.9 | -12 | 0 | 0 | 0 | 113.4 | K193 | K193-D195 VanDerWaalsContact C-N 3.32Å; K193-D195 PolarHBondContact O-N 3.25Å |
| 196 | Q | 85.2 | Confident | 90.8 | Very high | 125 Ų | 125 | 54.8 Ų | 54.8 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 0.9 | 177.9 | -59.6 | 167.6 | 40.3 | 0 | 0 | 112.7 | D192 K193 R194 | D192-Q196 PolarHBondContact O-NE2 3.15Å; K193-Q196 WeakPolarHBondContact O-CB 3.42Å; K193-Q196 PolarHBondContact O-N 2.85Å; R194-Q196 PolarHBondContact O-N 3.1Å; R194-Q196 VanDerWaalsContact O-N 3.08Å |
| 197 | L | 90.2 | Very high | 91 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -39.2 | -176.8 | -61 | 179.5 | 0 | 0 | 0 | 113.2 | V189 R194 V199 C223 L352 L354 | V189-L197 HydrophobicContact CB-CD1 4.11Å; V189-L197 HydrophobicContact CG1-CD1 4.25Å; V189-L197 HydrophobicContact CG1-CD2 4.49Å; V189-L197 HydrophobicContact CG2-CD1 3.99Å; R194-L197 WeakPolarHBondContact O-CB 3.18Å; R194-L197 WeakPolarHBondContact O-CG 3.16Å; R194-L197 PolarHBondContact O-N 3.47Å; L197-V199 HydrophobicContact CB-CG1 4.01Å; L197-V199 HydrophobicContact CB-CG2 3.95Å; L197-V199 HydrophobicContact CD1-CG2 4.37Å; L197-V199 PolarHBondContact O-N 2.76Å; L197-C223 WeakPolarHBondContact O-CB 3.43Å; L197-L352 HydrophobicContact CD2-CD1 4.06Å; L197-L354 HydrophobicContact CD2-CD1 4.14Å; L197-L354 HydrophobicContact CD2-CD2 3.94Å |
| 198 | G | 92 | Very high | 91.2 | Very high | 20 Ų | 20 | 51.9 Ų | 51.9 | 21% | 0.206 | 28% | 0.282 | C | S | . | . | trans | 55.5 | 24.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D200 S201 | G198-D200 VanDerWaalsContact C-OD1 3.31Å; G198-D200 PolarHBondContact O-N 2.86Å; G198-S201 VanDerWaalsContact O-CB 3.24Å; G198-S201 WeakPolarHBondContact O-CB 3.3Å; G198-S201 PolarHBondContact O-N 3.46Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.29Å | ||
| 199 | V | 94 | Very high | 91.4 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -0 | -174.9 | -70.8 | 0 | 0 | 0 | 0 | 113.9 | G158 S182 I185 L197 Y219 C223 | G158-V199 WeakPolarHBondContact CA-O 3.29Å; S182-V199 WeakPolarHBondContact CB-O 3.44Å; I185-V199 HydrophobicContact CB-CG2 4.36Å; I185-V199 HydrophobicContact CG2-CG1 4.22Å; I185-V199 HydrophobicContact CG2-CG2 4.48Å; L197-V199 HydrophobicContact CB-CG1 4.01Å; L197-V199 HydrophobicContact CB-CG2 3.95Å; L197-V199 HydrophobicContact CD1-CG2 4.37Å; L197-V199 PolarHBondContact O-N 2.76Å; V199-Y219 HydrophobicContact CB-CD1 4.09Å; V199-Y219 HydrophobicContact CB-CE1 4.01Å; V199-Y219 HydrophobicContact CB-CG 4.38Å; V199-Y219 HydrophobicContact CG1-CD1 4.28Å; V199-Y219 HydrophobicContact CG1-CD2 3.95Å; V199-Y219 HydrophobicContact CG1-CE1 4.36Å; V199-Y219 HydrophobicContact CG1-CE2 4.06Å; V199-Y219 HydrophobicContact CG1-CG 4.08Å; V199-Y219 WeakPolarHBondContact O-CD1 3.41Å; V199-Y219 WeakPolarHBondContact O-CE1 3.4Å; V199-C223 HydrophobicContact CG1-CB 4.22Å |
| 200 | D | 92.5 | Very high | 91.2 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -7 | 166.9 | 59 | -30.6 | 0 | 0 | 0 | 113.2 | S157 G198 | S157-D200 CarbonylContact C-O 3.49Å; G198-D200 VanDerWaalsContact C-OD1 3.31Å; G198-D200 PolarHBondContact O-N 2.86Å |
| 201 | S | 95 | Very high | 91 | Very high | 21 Ų | 21 | 54 Ų | 54 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -77.7 | 165.1 | 171.7 | 71 | 0 | 0 | 0 | 0 | 112.9 | G158 G198 I203 A220 G221 | G158-S201 WeakPolarHBondContact CA-O 3.28Å; G158-S201 PolarHBondContact N-O 2.83Å; G198-S201 VanDerWaalsContact O-CB 3.24Å; G198-S201 WeakPolarHBondContact O-CB 3.3Å; G198-S201 PolarHBondContact O-N 3.46Å; G198-S201 VanDerWaalsContact O-N 3.12Å; G198-S201 PolarHBondContact O-OG 3.29Å; S201-I203 PolarHBondContact O-N 3.21Å; S201-A220 PolarHBondContact OG-N 3.43Å; S201-G221 PolarHBondContact OG-N 2.57Å |
| 202 | P | 95.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 49.1 Ų | 49.1 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 136.3 | 177.7 | -29.1 | 36 | 0 | 0 | 0 | 114.3 | A156 I204 A220 | A156-P202 HydrophobicContact CB-CG 4.49Å; A156-P202 WeakPolarHBondContact O-CG 3.42Å; P202-I204 HydrophobicContact CB-CG2 4.33Å; P202-I204 PolarHBondContact O-N 3.36Å; P202-A220 PolarHBondContact O-N 3.45Å |
| 203 | I | 97.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 121 | 165 | -58.2 | 177.3 | 0 | 0 | 0 | 107.8 | T142 C143 S155 L160 S201 L206 I217 A218 Y219 | T142-I203 WeakPolarHBondContact CB-O 3.44Å; T142-I203 PolarHBondContact OG1-O 3.39Å; C143-I203 PolarHBondContact SG-O 3.47Å; S155-I203 PolarHBondContact O-N 3.36Å; L160-I203 HydrophobicContact CB-CD1 4.09Å; L160-I203 HydrophobicContact CD1-CD1 4.45Å; S201-I203 PolarHBondContact O-N 3.21Å; I203-L206 HydrophobicContact CG2-CD1 4.49Å; I203-L206 HydrophobicContact CG2-CD2 3.94Å; I203-L206 HydrophobicContact CG2-CG 3.94Å; I203-I217 HydrophobicContact CD1-CG2 3.98Å; I203-I217 HydrophobicContact CG1-CG2 4.21Å; I203-I217 HydrophobicContact CG2-CG2 3.81Å; I203-A218 CarbonylContact C-O 3.58Å; I203-A218 VanDerWaalsContact CA-O 3.31Å; I203-A218 WeakPolarHBondContact CA-O 3.48Å; I203-Y219 HydrophobicContact CD1-CE1 4.06Å; I203-Y219 HydrophobicContact CG1-CD1 3.97Å; I203-Y219 HydrophobicContact CG1-CE1 3.57Å |
| 204 | I | 96.5 | Very high | 91.3 | Very high | 44 Ų | 44 | 45.5 Ų | 45.5 | 23% | 0.226 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | -26 | -169.9 | 48.2 | 169.7 | 0 | 0 | 0 | 114.1 | P202 A218 A220 V359 | P202-I204 HydrophobicContact CB-CG2 4.33Å; P202-I204 PolarHBondContact O-N 3.36Å; I204-A218 HydrophobicContact CG1-CB 3.97Å; I204-A218 WeakPolarHBondContact CG1-O 3.45Å; I204-A218 PolarHBondContact N-O 3.32Å; I204-A220 HydrophobicContact CD1-CB 4.23Å; I204-A220 HydrophobicContact CG2-CB 4.06Å; I204-V359 VanDerWaalsContact CD1-C 3.43Å; I204-V359 HydrophobicContact CD1-CB 4.01Å; I204-V359 HydrophobicContact CD1-CG1 3.95Å; I204-V359 WeakPolarHBondContact CD1-O 3.34Å |
| 205 | S | 97.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 143.3 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | A218 A362 | S205-A218 PolarHBondContact O-N 3.22Å; S205-A362 PolarHBondContact OG-O 3.24Å |
| 206 | L | 97.5 | Very high | 92.1 | Very high | 13 Ų | 13 | 34.7 Ų | 34.7 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 127.2 | 171.8 | -74.2 | 174 | 0 | 0 | 0 | 108.3 | C145 G154 L160 I203 L216 I217 | C145-L206 HydrophobicContact CB-CB 3.96Å; C145-L206 WeakPolarHBondContact CB-O 3.5Å; G154-L206 VanDerWaalsContact N-CD1 3.33Å; L160-L206 HydrophobicContact CD1-CD1 3.79Å; L160-L206 HydrophobicContact CD1-CD2 3.48Å; L160-L206 VanDerWaalsContact CD1-CD2 3.48Å; L160-L206 HydrophobicContact CD1-CG 4.31Å; I203-L206 HydrophobicContact CG2-CD1 4.49Å; I203-L206 HydrophobicContact CG2-CD2 3.94Å; I203-L206 HydrophobicContact CG2-CG 3.94Å; L206-L216 WeakPolarHBondContact CA-O 3.48Å; L206-I217 HydrophobicContact CD2-CB 4.15Å; L206-I217 HydrophobicContact CD2-CG1 3.9Å; L206-I217 HydrophobicContact CD2-CG2 3.92Å |
| 207 | E | 95.7 | Very high | 92.7 | Very high | 42 Ų | 42 | 28.8 Ų | 28.8 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 121.8 | 179.5 | -155.9 | -177.8 | 107.2 | 0 | 0 | 111.5 | L216 S363 W364 | E207-L216 HydrophobicContact CB-CB 4.32Å; E207-L216 PolarHBondContact N-O 3.46Å; E207-L216 VanDerWaalsContact N-O 3.16Å; E207-L216 VanDerWaalsContact O-CB 3.22Å; E207-L216 WeakPolarHBondContact O-CB 3.39Å; E207-L216 PolarHBondContact O-N 3.34Å; E207-S363 VanDerWaalsContact CD-OG 3.31Å; E207-S363 PolarHBondContact OE1-OG 3.27Å; E207-S363 VanDerWaalsContact OE2-CA 3.28Å; E207-S363 WeakPolarHBondContact OE2-CA 3.48Å; E207-S363 WeakPolarHBondContact OE2-CB 3.43Å; E207-S363 PolarHBondContact OE2-OG 3.2Å; E207-W364 PolarHBondContact O-NE1 3.23Å; E207-W364 VanDerWaalsContact O-NE1 3.08Å; E207-W364 WeakPolarHBondContact OE1-CB 3.33Å; E207-W364 VanDerWaalsContact OE1-CD1 3.24Å; E207-W364 PolarHBondContact OE1-N 3.11Å |
| 208 | L | 93.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 28.8 Ų | 28.8 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 137.1 | 170.7 | -164.6 | 82.3 | 0 | 0 | 0 | 109.2 | L215 P229 | L208-L215 HydrophobicContact CD1-CB 4.44Å; L208-P229 HydrophobicContact CD1-CG 4.03Å |
| 209 | Q | 91.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 27.8 Ų | 27.8 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | trans | -55.1 | 139.1 | 168.5 | -167.8 | -178.1 | 34.8 | 0 | 0 | 108.9 | Q211 G212 H214 W364 S373 | Q209-Q211 PolarHBondContact O-N 3.2Å; Q209-G212 WeakPolarHBondContact O-CA 3.43Å; Q209-G212 PolarHBondContact O-N 3.33Å; Q209-H214 HydrophobicContact CB-CB 4.26Å; Q209-H214 WeakPolarHBondContact CB-O 3.44Å; Q209-H214 PolarHBondContact N-O 3.02Å; Q209-H214 PolarHBondContact OE1-ND1 3.06Å; Q209-W364 HydrophobicContact CB-CD2 4.09Å; Q209-W364 HydrophobicContact CB-CH2 4.32Å; Q209-W364 HydrophobicContact CB-CZ2 3.83Å; Q209-W364 HydrophobicContact CG-CD2 4.05Å; Q209-W364 HydrophobicContact CG-CE3 4.1Å; Q209-W364 HydrophobicContact CG-CH2 4.31Å; Q209-W364 HydrophobicContact CG-CZ2 4.27Å; Q209-W364 HydrophobicContact CG-CZ3 4.22Å; Q209-W364 VanDerWaalsContact N-NE1 3.18Å; Q209-S373 PolarHBondContact NE2-O 3.46Å | ||
| 210 | P | 83.1 | Confident | 93.5 | Very high | 79 Ų | 79 | 28.9 Ų | 28.9 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -27.3 | -175.7 | -27.8 | 35 | 0 | 0 | 0 | 114.6 | G212 V366 | P210-G212 VanDerWaalsContact C-N 3.32Å; P210-V366 HydrophobicContact CG-CG2 3.84Å |
| 211 | Q | 82.2 | Confident | 93.7 | Very high | 56 Ų | 56 | 25.4 Ų | 25.4 | 26% | 0.262 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.9 | 174.7 | -55.6 | 80.2 | 29.8 | 0 | 0 | 113.7 | Q209 N213 S371 L372 | Q209-Q211 PolarHBondContact O-N 3.2Å; Q211-N213 VanDerWaalsContact C-N 3.28Å; Q211-N213 PolarHBondContact O-N 3.46Å; Q211-N213 VanDerWaalsContact O-N 3.15Å; Q211-N213 PolarHBondContact O-ND2 3.3Å; Q211-N213 VanDerWaalsContact O-ND2 3.13Å; Q211-S371 PolarHBondContact NE2-O 2.95Å; Q211-L372 HydrophobicContact CB-CD2 3.76Å; Q211-L372 HydrophobicContact CG-CD2 3.84Å; Q211-L372 HydrophobicContact CG-CG 4.36Å |
| 212 | G | 83.7 | Confident | 93.6 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 77 | -11.8 | 172 | 0 | 0 | 0 | 0 | 0 | 117.6 | H148 Q209 P210 H214 | H148-G212 VanDerWaalsContact CE1-CA 3.48Å; H148-G212 WeakPolarHBondContact CE1-CA 3.21Å; H148-G212 PolarHBondContact CE1-O 3.34Å; Q209-G212 WeakPolarHBondContact O-CA 3.43Å; Q209-G212 PolarHBondContact O-N 3.33Å; P210-G212 VanDerWaalsContact C-N 3.32Å; G212-H214 VanDerWaalsContact C-N 3.33Å; G212-H214 PolarHBondContact O-N 3.2Å |
| 213 | N | 86.8 | Confident | 93.6 | Very high | 82 Ų | 82 | 22.2 Ų | 22.2 | 44% | 0.439 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -72.4 | -22.2 | -167.7 | -52.4 | -72 | 0 | 0 | 0 | 114.6 | Q211 P229 | Q211-N213 VanDerWaalsContact C-N 3.28Å; Q211-N213 PolarHBondContact O-N 3.46Å; Q211-N213 VanDerWaalsContact O-N 3.15Å; Q211-N213 PolarHBondContact O-ND2 3.3Å; Q211-N213 VanDerWaalsContact O-ND2 3.13Å; N213-P229 WeakPolarHBondContact O-CD 3.2Å |
| 214 | H | 92.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 22.2 Ų | 22.2 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | trans | -136.9 | 149.8 | -177.5 | -58.8 | 92 | 0 | 0 | 0 | 111.7 | Q209 G212 V226 A227 W364 | Q209-H214 HydrophobicContact CB-CB 4.26Å; Q209-H214 WeakPolarHBondContact CB-O 3.44Å; Q209-H214 PolarHBondContact N-O 3.02Å; Q209-H214 PolarHBondContact OE1-ND1 3.06Å; G212-H214 VanDerWaalsContact C-N 3.33Å; G212-H214 PolarHBondContact O-N 3.2Å; H214-V226 HydrophobicContact CB-CG1 3.77Å; H214-A227 CarbonylContact C-O 3.52Å; H214-A227 VanDerWaalsContact CA-O 3.27Å; H214-A227 WeakPolarHBondContact CA-O 3.32Å; H214-W364 HydrophobicContact CB-CH2 3.76Å; H214-W364 HydrophobicContact CB-CZ2 3.66Å | ||
| 215 | L | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 129.4 | 170.9 | 174.6 | 65.9 | 0 | 0 | 0 | 108.9 | C145 Y152 L160 L208 I217 A227 P229 P347 | C145-L215 VanDerWaalsContact SG-CD1 3.52Å; Y152-L215 HydrophobicContact CD1-CD2 3.52Å; Y152-L215 HydrophobicContact CD2-CD1 4.31Å; Y152-L215 HydrophobicContact CD2-CD2 4.35Å; Y152-L215 HydrophobicContact CE1-CD2 3.79Å; Y152-L215 HydrophobicContact CG-CD1 4.34Å; Y152-L215 HydrophobicContact CG-CD2 3.83Å; L160-L215 HydrophobicContact CD2-CD2 3.86Å; L208-L215 HydrophobicContact CD1-CB 4.44Å; L215-I217 HydrophobicContact CD2-CD1 4.34Å; L215-I217 HydrophobicContact CD2-CG1 4.24Å; L215-I217 HydrophobicContact CG-CG1 4.1Å; L215-A227 PolarHBondContact N-O 3.07Å; L215-A227 PolarHBondContact O-N 3.48Å; L215-P229 HydrophobicContact CB-CG 4.26Å; L215-P347 HydrophobicContact CD2-CG 4.45Å |
| 216 | L | 96.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 135.1 | 173.6 | -168.2 | 65.4 | 0 | 0 | 0 | 109.9 | L206 E207 V224 V226 A362 W364 V376 | L206-L216 WeakPolarHBondContact CA-O 3.48Å; E207-L216 HydrophobicContact CB-CB 4.32Å; E207-L216 PolarHBondContact N-O 3.46Å; E207-L216 VanDerWaalsContact N-O 3.16Å; E207-L216 VanDerWaalsContact O-CB 3.22Å; E207-L216 WeakPolarHBondContact O-CB 3.39Å; E207-L216 PolarHBondContact O-N 3.34Å; L216-V224 HydrophobicContact CD1-CG1 3.45Å; L216-V224 VanDerWaalsContact CD1-CG1 3.45Å; L216-V224 HydrophobicContact CG-CG1 3.96Å; L216-V226 HydrophobicContact CD1-CG2 3.9Å; L216-A362 HydrophobicContact CD2-CB 3.84Å; L216-A362 HydrophobicContact CG-CB 4.38Å; L216-W364 HydrophobicContact CB-CZ2 4.31Å; L216-V376 HydrophobicContact CD1-CG1 3.86Å; L216-V376 HydrophobicContact CD1-CG2 3.79Å; L216-V376 HydrophobicContact CD2-CG1 3.81Å; L216-V376 HydrophobicContact CD2-CG2 4.32Å; L216-V376 HydrophobicContact CG-CG1 4.49Å |
| 217 | I | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 111.2 | -178.5 | -48 | 170.2 | 0 | 0 | 0 | 108.6 | L160 I203 L206 L215 Y219 V224 A225 A227 | L160-I217 HydrophobicContact CD2-CD1 3.93Å; I203-I217 HydrophobicContact CD1-CG2 3.98Å; I203-I217 HydrophobicContact CG1-CG2 4.21Å; I203-I217 HydrophobicContact CG2-CG2 3.81Å; L206-I217 HydrophobicContact CD2-CB 4.15Å; L206-I217 HydrophobicContact CD2-CG1 3.9Å; L206-I217 HydrophobicContact CD2-CG2 3.92Å; L215-I217 HydrophobicContact CD2-CD1 4.34Å; L215-I217 HydrophobicContact CD2-CG1 4.24Å; L215-I217 HydrophobicContact CG-CG1 4.1Å; I217-Y219 HydrophobicContact CB-CE2 4.11Å; I217-Y219 HydrophobicContact CG2-CD2 4.16Å; I217-Y219 HydrophobicContact CG2-CE2 3.41Å; I217-Y219 VanDerWaalsContact CG2-CE2 3.41Å; I217-V224 CarbonylContact O-C 3.43Å; I217-V224 WeakPolarHBondContact O-CA 3.13Å; I217-A225 HydrophobicContact CB-CB 4.42Å; I217-A225 PolarHBondContact N-O 2.93Å; I217-A225 PolarHBondContact O-N 3.46Å; I217-A227 HydrophobicContact CD1-CB 4.12Å |
| 218 | A | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 127 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I203 I204 S205 V224 V359 A362 | I203-A218 CarbonylContact C-O 3.58Å; I203-A218 VanDerWaalsContact CA-O 3.31Å; I203-A218 WeakPolarHBondContact CA-O 3.48Å; I204-A218 HydrophobicContact CG1-CB 3.97Å; I204-A218 WeakPolarHBondContact CG1-O 3.45Å; I204-A218 PolarHBondContact N-O 3.32Å; S205-A218 PolarHBondContact O-N 3.22Å; A218-V224 HydrophobicContact CB-CG1 4.46Å; A218-V224 HydrophobicContact CB-CG2 4.18Å; A218-V359 HydrophobicContact CB-CG1 4.12Å; A218-A362 HydrophobicContact CB-CB 3.87Å |
| 219 | Y | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | 176.3 | -66.3 | -94 | 0 | 0 | 0 | 109.8 | G158 I185 V199 I203 I217 G221 G222 C223 A225 | G158-Y219 WeakPolarHBondContact O-CE1 3.43Å; G158-Y219 PolarHBondContact O-OH 3.34Å; I185-Y219 HydrophobicContact CD1-CE2 4.08Å; I185-Y219 WeakPolarHBondContact CD1-OH 3.16Å; V199-Y219 HydrophobicContact CB-CD1 4.09Å; V199-Y219 HydrophobicContact CB-CE1 4.01Å; V199-Y219 HydrophobicContact CB-CG 4.38Å; V199-Y219 HydrophobicContact CG1-CD1 4.28Å; V199-Y219 HydrophobicContact CG1-CD2 3.95Å; V199-Y219 HydrophobicContact CG1-CE1 4.36Å; V199-Y219 HydrophobicContact CG1-CE2 4.06Å; V199-Y219 HydrophobicContact CG1-CG 4.08Å; V199-Y219 WeakPolarHBondContact O-CD1 3.41Å; V199-Y219 WeakPolarHBondContact O-CE1 3.4Å; I203-Y219 HydrophobicContact CD1-CE1 4.06Å; I203-Y219 HydrophobicContact CG1-CD1 3.97Å; I203-Y219 HydrophobicContact CG1-CE1 3.57Å; I217-Y219 HydrophobicContact CB-CE2 4.11Å; I217-Y219 HydrophobicContact CG2-CD2 4.16Å; I217-Y219 HydrophobicContact CG2-CE2 3.41Å; I217-Y219 VanDerWaalsContact CG2-CE2 3.41Å; Y219-G221 PolarHBondContact O-N 3.44Å; Y219-G222 PolarHBondContact O-N 3.05Å; Y219-C223 WeakPolarHBondContact CB-O 3.5Å; Y219-C223 PolarHBondContact N-O 3.24Å; Y219-A225 HydrophobicContact CE2-CB 4.33Å |
| 220 | A | 96.8 | Very high | 93 | Very high | 26 Ų | 26 | 21.2 Ų | 21.2 | 22% | 0.215 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -30.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S201 P202 I204 G222 P358 V359 | S201-A220 PolarHBondContact OG-N 3.43Å; P202-A220 PolarHBondContact O-N 3.45Å; I204-A220 HydrophobicContact CD1-CB 4.23Å; I204-A220 HydrophobicContact CG2-CB 4.06Å; A220-G222 PolarHBondContact O-N 3.46Å; A220-G222 VanDerWaalsContact O-N 3.11Å; A220-P358 CarbonylContact O-C 3.56Å; A220-P358 WeakPolarHBondContact O-CA 3.44Å; A220-P358 WeakPolarHBondContact O-CB 3.36Å; A220-V359 PolarHBondContact O-N 2.84Å; A220-V359 VanDerWaalsContact O-N 3.07Å |
| 221 | G | 95.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 45% | 0.454 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 8.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | S201 Y219 | S201-G221 PolarHBondContact OG-N 2.57Å; Y219-G221 PolarHBondContact O-N 3.44Å |
| 222 | G | 93.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 3% | 0.031 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111.9 | 1.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y219 A220 R355 Q357 | Y219-G222 PolarHBondContact O-N 3.05Å; A220-G222 PolarHBondContact O-N 3.46Å; A220-G222 VanDerWaalsContact O-N 3.11Å; G222-R355 PolarHBondContact O-N 2.92Å; G222-R355 VanDerWaalsContact O-N 3.08Å; G222-Q357 WeakPolarHBondContact CA-O 3.07Å |
| 223 | C | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 139.1 | -177.9 | 175.5 | 0 | 0 | 0 | 0 | 112.5 | L197 V199 Y219 L353 L354 | L197-C223 WeakPolarHBondContact O-CB 3.43Å; V199-C223 HydrophobicContact CG1-CB 4.22Å; Y219-C223 WeakPolarHBondContact CB-O 3.5Å; Y219-C223 PolarHBondContact N-O 3.24Å; C223-L353 WeakPolarHBondContact CA-O 3.22Å; C223-L354 HydrophobicContact CB-CD2 3.61Å |
| 224 | V | 96.8 | Very high | 92.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.8 | 165 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | L216 I217 A218 L353 V359 A362 V378 | L216-V224 HydrophobicContact CD1-CG1 3.45Å; L216-V224 VanDerWaalsContact CD1-CG1 3.45Å; L216-V224 HydrophobicContact CG-CG1 3.96Å; I217-V224 CarbonylContact O-C 3.43Å; I217-V224 WeakPolarHBondContact O-CA 3.13Å; A218-V224 HydrophobicContact CB-CG1 4.46Å; A218-V224 HydrophobicContact CB-CG2 4.18Å; V224-L353 HydrophobicContact CB-CB 4.19Å; V224-L353 HydrophobicContact CB-CD1 4.16Å; V224-L353 HydrophobicContact CB-CG 4.42Å; V224-L353 HydrophobicContact CG1-CD1 4.32Å; V224-L353 PolarHBondContact N-O 3.46Å; V224-L353 PolarHBondContact O-N 3.14Å; V224-V359 HydrophobicContact CG2-CG1 4.04Å; V224-V359 HydrophobicContact CG2-CG2 3.93Å; V224-A362 HydrophobicContact CG1-CB 3.86Å; V224-A362 HydrophobicContact CG2-CB 4.03Å; V224-V378 HydrophobicContact CB-CG2 4.42Å; V224-V378 HydrophobicContact CG2-CG1 3.74Å; V224-V378 HydrophobicContact CG2-CG2 3.91Å |
| 225 | A | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I217 Y219 I349 L352 | I217-A225 HydrophobicContact CB-CB 4.42Å; I217-A225 PolarHBondContact N-O 2.93Å; I217-A225 PolarHBondContact O-N 3.46Å; Y219-A225 HydrophobicContact CE2-CB 4.33Å; A225-I349 HydrophobicContact CB-CD1 4.41Å; A225-I349 HydrophobicContact CB-CG2 4.41Å; A225-L352 HydrophobicContact CB-CD2 3.77Å |
| 226 | V | 95 | Very high | 87.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 115.4 | 168.4 | -173.1 | 0 | 0 | 0 | 0 | 108.2 | H214 L216 S350 H351 W364 I390 | H214-V226 HydrophobicContact CB-CG1 3.77Å; L216-V226 HydrophobicContact CD1-CG2 3.9Å; V226-S350 WeakPolarHBondContact O-CA 3.43Å; V226-S350 PolarHBondContact O-N 3.05Å; V226-S350 PolarHBondContact O-OG 2.92Å; V226-H351 HydrophobicContact CB-CB 4.04Å; V226-H351 HydrophobicContact CG2-CB 4.23Å; V226-H351 PolarHBondContact N-O 2.82Å; V226-H351 PolarHBondContact O-N 3.04Å; V226-H351 VanDerWaalsContact O-N 3.16Å; V226-W364 HydrophobicContact CG1-CH2 3.87Å; V226-W364 HydrophobicContact CG1-CZ2 4.13Å; V226-I390 HydrophobicContact CG1-CG2 4.38Å; V226-I390 HydrophobicContact CG2-CD1 3.77Å; V226-I390 HydrophobicContact CG2-CG1 4.29Å |
| 227 | A | 93.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 160.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | H214 L215 I217 P347 R348 I349 | H214-A227 CarbonylContact C-O 3.52Å; H214-A227 VanDerWaalsContact CA-O 3.27Å; H214-A227 WeakPolarHBondContact CA-O 3.32Å; L215-A227 PolarHBondContact N-O 3.07Å; L215-A227 PolarHBondContact O-N 3.48Å; I217-A227 HydrophobicContact CD1-CB 4.12Å; A227-P347 HydrophobicContact CB-CB 3.97Å; A227-P347 HydrophobicContact CB-CG 4.38Å; A227-R348 CarbonylContact C-O 3.57Å; A227-R348 WeakPolarHBondContact CA-O 3.17Å; A227-I349 HydrophobicContact CB-CD1 3.89Å |
| 228 | I | 92.3 | Very high | 81.5 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 19% | 0.19 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 113 | 176.4 | -61.3 | 167.8 | 0 | 0 | 0 | 107.8 | Q230 P347 R348 | I228-Q230 PolarHBondContact O-NE2 2.82Å; I228-P347 WeakPolarHBondContact O-CA 3.15Å; I228-R348 PolarHBondContact N-O 2.83Å; I228-R348 PolarHBondContact O-N 3.11Å |
| 229 | P | 92.6 | Very high | 78.2 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 13% | 0.13 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 137.9 | 172 | -29.1 | 37 | 0 | 0 | 0 | 112.1 | L208 N213 L215 | L208-P229 HydrophobicContact CD1-CG 4.03Å; N213-P229 WeakPolarHBondContact O-CD 3.2Å; L215-P229 HydrophobicContact CB-CG 4.26Å |
| 230 | Q | 91.5 | Very high | 75.1 | Confident | 62 Ų | 62 | 67.3 Ų | 67.3 | 29% | 0.29 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 145.6 | 175.2 | -61.7 | -54.1 | -75.2 | 0 | 0 | 110.3 | I228 P344 P345 A346 | I228-Q230 PolarHBondContact O-NE2 2.82Å; Q230-P344 HydrophobicContact CB-CB 4.36Å; Q230-P344 WeakPolarHBondContact O-CB 3.46Å; Q230-P345 HydrophobicContact CB-CB 4.35Å; Q230-P345 HydrophobicContact CB-CG 4.46Å; Q230-P345 HydrophobicContact CG-CB 4.36Å; Q230-A346 WeakPolarHBondContact CG-O 3.37Å |
| 231 | P | 86.7 | Confident | 72 | Confident | 105 Ų | 105 | 70.7 Ų | 70.7 | 68% | 0.682 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -67 | 144 | 179.1 | 28.2 | -34.9 | 0 | 0 | 0 | 111.1 | ||
| 232 | I | 82.8 | Confident | 69.2 | Low | 71 Ų | 71 | 72.9 Ų | 72.9 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -59 | 127.8 | 172.8 | -64 | 176.3 | 0 | 0 | 0 | 109 | L234 P342 P344 | I232-L234 PolarHBondContact O-N 2.73Å; I232-L234 VanDerWaalsContact O-N 3.15Å; I232-P342 HydrophobicContact CG2-CB 4.05Å; I232-P342 HydrophobicContact CG2-CG 3.72Å; I232-P342 WeakPolarHBondContact CG2-O 3.35Å; I232-P344 HydrophobicContact CG1-CG 4.21Å |
| 233 | P | 78.4 | Confident | 66.4 | Low | 63 Ų | 63 | 79 Ų | 79 | 41% | 0.409 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 119.3 | 176.5 | -27.4 | 34.9 | 0 | 0 | 0 | 111.5 | E235 | P233-E235 PolarHBondContact O-N 2.92Š|
| 234 | L | 71.4 | Confident | 63.6 | Low | 171 Ų | 171 | 83.7 Ų | 83.7 | 90% | 0.895 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 125.8 | 170.7 | -75.5 | 166.2 | 0 | 0 | 0 | 109.1 | I232 S236 | I232-L234 PolarHBondContact O-N 2.73Å; I232-L234 VanDerWaalsContact O-N 3.15Å; L234-S236 PolarHBondContact O-N 3.27Å |
| 235 | E | 56.2 | Low | 60.8 | Low | 144 Ų | 144 | 91 Ų | 91 | 67% | 0.673 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128.6 | 168.7 | -67.7 | -171.8 | 137.6 | 0 | 0 | 109.3 | P233 V237 | P233-E235 PolarHBondContact O-N 2.92Å; E235-V237 PolarHBondContact O-N 3.34Å |
| 236 | S | 36.2 | Very low | 57.9 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 78% | 0.776 | 59% | 0.587 | S | S | * | * | trans | -69.9 | 94.3 | -179.4 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | L234 T238 | L234-S236 PolarHBondContact O-N 3.27Å; S236-T238 PolarHBondContact O-N 2.86Å | ||
| 237 | V | 33.7 | Very low | 54.9 | Low | 130 Ų | 130 | 102.6 Ų | 102.6 | 79% | 0.788 | 62% | 0.624 | S | S | * | * | trans | -55.8 | 104.2 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | E235 Q239 | E235-V237 PolarHBondContact O-N 3.34Å; V237-Q239 PolarHBondContact O-N 2.9Å | ||
| 238 | T | 30.7 | Very low | 52 | Low | 128 Ų | 128 | 109 Ų | 109 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | trans | -57.3 | 111 | 174.9 | -55.6 | 0 | 0 | 0 | 0 | 108.1 | S236 | S236-T238 PolarHBondContact O-N 2.86Š| ||
| 239 | Q | 29.8 | Very low | 49 | Very low | 176 Ų | 176 | 111.3 Ų | 111.3 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 132.5 | 179.4 | -73 | -175.1 | -22.3 | 0 | 0 | 109.7 | V237 A241 | V237-Q239 PolarHBondContact O-N 2.9Å; Q239-A241 PolarHBondContact O-N 2.92Å; Q239-A241 VanDerWaalsContact O-N 3.12Å |
| 240 | P | 33 | Very low | 46.4 | Very low | 122 Ų | 122 | 115.8 Ų | 115.8 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 119.7 | 178.1 | 25.3 | -33.2 | 0 | 0 | 0 | 109 | A242 | P240-A242 PolarHBondContact O-N 2.86Š|
| 241 | A | 32.4 | Very low | 43.6 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q239 | Q239-A241 PolarHBondContact O-N 2.92Å; Q239-A241 VanDerWaalsContact O-N 3.12Å |
| 242 | A | 35.1 | Very low | 41 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 139.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P240 A244 | P240-A242 PolarHBondContact O-N 2.86Å; A242-A244 PolarHBondContact O-N 2.88Å |
| 243 | P | 35.8 | Very low | 38.7 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.1 | -179.4 | 28.1 | -34.2 | 0 | 0 | 0 | 110.7 | ||
| 244 | A | 36.1 | Very low | 36.5 | Very low | 100 Ų | 100 | 125.1 Ų | 125.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 120.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | A242 | A242-A244 PolarHBondContact O-N 2.88Š|
| 245 | D | 36.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 125.6 | -179.2 | -95.2 | -43.6 | 0 | 0 | 0 | 113.4 | ||
| 246 | V | 35.5 | Very low | 33.2 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 53.6 | 97.8 | 130.7 | -176 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 247 | V | 32.1 | Very low | 32.9 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | 62.9 | 119.1 | 131.4 | -178.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 248 | T | 33 | Very low | 32.8 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | -170.6 | 140.7 | 110.5 | -69.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 249 | A | 29.1 | Very low | 33.4 | Very low | 85 Ų | 85 | 125.8 Ų | 125.8 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | trans | -125.4 | 158.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 250 | P | 38.1 | Very low | 33.3 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | -152.2 | 151.4 | 80.5 | 39 | -19.7 | 0 | 0 | 0 | 118.4 | |||||
| 251 | T | 32.5 | Very low | 33.2 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | 15.4 | 137.4 | 120.5 | -27.3 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 252 | A | 33 | Very low | 33.2 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | cis | -172.5 | 162.5 | -18.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 253 | Q | 33.1 | Very low | 33 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -159.1 | 165 | 150.2 | -112.9 | 165.3 | 44.7 | 0 | 0 | 110.9 | ||||
| 254 | G | 32.2 | Very low | 32.9 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | -73.8 | -171.2 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 255 | E | 29.4 | Very low | 32.7 | Very low | 197 Ų | 197 | 135 Ų | 135 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | cis | -145.7 | 177.1 | 16 | -165.6 | 166.8 | -169.6 | 0 | 0 | 111.7 | ||||
| 256 | V | 28.7 | Very low | 32.4 | Very low | 127 Ų | 127 | 131.8 Ų | 131.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -112.1 | 148.1 | -171.2 | 178.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 257 | V | 31.2 | Very low | 32.9 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | 174.5 | 156.3 | 131.9 | 151.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 258 | T | 30.6 | Very low | 32.8 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -98 | 172.5 | -164.4 | 34.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 259 | P | 43.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -101.8 | 170.7 | -167.8 | 40 | -36.9 | 0 | 0 | 0 | 115.5 | ||||
| 260 | N | 28.1 | Very low | 33.2 | Very low | 168 Ų | 168 | 133.7 Ų | 133.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -169.8 | 176.4 | 142.5 | -105.2 | -23.5 | 0 | 0 | 0 | 114.5 | ||||
| 261 | V | 31.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 137 Ų | 137 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -104.8 | 147 | -166.8 | 175.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 262 | V | 32.1 | Very low | 32.8 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -147.4 | 139.7 | 151.1 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 263 | D | 31.6 | Very low | 33.1 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | -37.7 | 175.7 | 158.2 | -83.8 | -51.2 | 0 | 0 | 0 | 119.4 | ||||
| 264 | E | 32.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 139.6 Ų | 139.6 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | cis | -165.3 | 159.1 | -4.2 | 154.7 | -177.5 | -145.4 | 0 | 0 | 108.7 | ||||
| 265 | L | 32.5 | Very low | 32.6 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 166.5 | 150.4 | 134.6 | -88.7 | 164.1 | 0 | 0 | 0 | 114.9 | ||||
| 266 | A | 31.3 | Very low | 32.5 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -128.7 | -164.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 267 | P | 44.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -140.9 | -167.7 | 1.5 | 41 | -19.3 | 0 | 0 | 0 | 115.8 | ||||
| 268 | T | 30.9 | Very low | 32.8 | Very low | 119 Ų | 119 | 138 Ų | 138 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | 155.7 | 145.7 | 111 | -37.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 269 | I | 35.1 | Very low | 33.3 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | 81.8 | 126 | 164.6 | -46.7 | -170.6 | 0 | 0 | 0 | 118.6 | ||||
| 270 | P | 35 | Very low | 32.8 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -127 | 170.2 | -179.5 | 44.3 | -32.7 | 0 | 0 | 0 | 116.9 | ||||
| 271 | Q | 31.2 | Very low | 33.1 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -170.5 | 129.8 | 143.3 | -100.9 | 170.7 | -16.8 | 0 | 0 | 106.4 | ||||
| 272 | E | 31.7 | Very low | 33.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | 90.9 | 147.4 | 54.7 | -84.3 | -151 | 140.5 | 0 | 0 | 114.9 | |||||
| 273 | P | 39.2 | Very low | 33.3 | Very low | 97 Ų | 97 | 135 Ų | 135 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | -139.8 | -168.9 | -123.6 | 45.5 | -28.5 | 0 | 0 | 0 | 116.5 | |||||
| 274 | Q | 27 | Very low | 33.3 | Very low | 197 Ų | 197 | 136.6 Ų | 136.6 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | 66.4 | 160.7 | 162.1 | -69.2 | -179 | -21.2 | 0 | 0 | 118 | ||||
| 275 | G | 26.8 | Very low | 33.3 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | 127.3 | 131.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 276 | E | 27.4 | Very low | 33.3 | Very low | 194 Ų | 194 | 134.2 Ų | 134.2 | 91% | 0.907 | 79% | 0.786 | S | S | * | * | trans | -81.1 | 174.3 | 174.4 | -63.7 | 167.6 | 95.2 | 0 | 0 | 113.4 | ||||
| 277 | A | 27 | Very low | 33.4 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 68.3 | 133.8 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 278 | T | 39.6 | Very low | 32.9 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -95.1 | 176.7 | 164.1 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 279 | P | 39.8 | Very low | 33 | Very low | 128 Ų | 128 | 137.1 Ų | 137.1 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -123.3 | -168.9 | -10.8 | 27.5 | -4.9 | 0 | 0 | 0 | 112 | ||||
| 280 | G | 33.7 | Very low | 32.9 | Very low | 71 Ų | 71 | 134.8 Ų | 134.8 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | -111.1 | 146.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 281 | D | 34.9 | Very low | 32.9 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 108.3 | 132.1 | 122.5 | -153.8 | 16.8 | 0 | 0 | 0 | 120.6 | |||||
| 282 | K | 33.2 | Very low | 33.6 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 59.2 | 124.5 | 170.3 | -70.4 | 138 | -171.9 | 155.3 | 0 | 119 | ||||
| 283 | S | 33.2 | Very low | 33.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | cis | 179.8 | 155.6 | 47.2 | 36 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 284 | E | 32.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 51 | 114.2 | 149.8 | -62.7 | -165.6 | 146 | 0 | 0 | 126.2 | ||||
| 285 | V | 33.8 | Very low | 34 | Very low | 114 Ų | 114 | 129.2 Ų | 129.2 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | 76.9 | 120.3 | 122.4 | 179.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 286 | N | 32.7 | Very low | 34.4 | Very low | 165 Ų | 165 | 131.8 Ų | 131.8 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | 63.9 | 148.7 | 159.4 | -63 | -17.3 | 0 | 0 | 0 | 119.5 | ||||
| 287 | G | 32.5 | Very low | 34.7 | Very low | 65 Ų | 65 | 128.1 Ų | 128.1 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | cis | 162.7 | 151.8 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 288 | E | 34.2 | Very low | 35.1 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | 69.6 | 156.3 | 171.4 | -54.4 | -156 | 125.7 | 0 | 0 | 117.6 | ||||
| 289 | K | 33.2 | Very low | 34.9 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | cis | -161 | 150.4 | 1.2 | -132.6 | 162.6 | -168.1 | 146.4 | 0 | 114.5 | ||||
| 290 | S | 32.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | 60.6 | 149.1 | 151.6 | 48.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 291 | Q | 34.6 | Very low | 34.5 | Very low | 184 Ų | 184 | 133 Ų | 133 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | cis | 128.4 | 162 | -0.3 | -85.9 | -153 | -34.4 | 0 | 0 | 114 | ||||
| 292 | P | 46.7 | Very low | 34.5 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 60% | 0.597 | 76% | 0.763 | S | S | * | * | -143.5 | -152.1 | -88.1 | 32.3 | -3.5 | 0 | 0 | 0 | 115.1 | |||||
| 293 | L | 34.2 | Very low | 35 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | 84.8 | 151.6 | 156.1 | -60.1 | 161.8 | 0 | 0 | 0 | 119 | ||||
| 294 | S | 36.9 | Very low | 35 | Very low | 82 Ų | 82 | 131 Ų | 131 | 57% | 0.573 | 77% | 0.766 | S | S | * | * | cis | -177.8 | 145 | -17.6 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 295 | N | 34.2 | Very low | 35.1 | Very low | 141 Ų | 141 | 129 Ų | 129 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 62.5 | 158.6 | 141.4 | -66.3 | 48.9 | 0 | 0 | 0 | 120 | ||||
| 296 | D | 35 | Very low | 35.7 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | -162.3 | 178.2 | -2.8 | -130.9 | -42.4 | 0 | 0 | 0 | 114.8 | ||||
| 297 | S | 34.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 126.3 Ų | 126.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 100.2 | 136.8 | 147.3 | 75.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 298 | A | 35.2 | Very low | 35.6 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -89.4 | 174.7 | -161.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 299 | V | 34.9 | Very low | 35.4 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | -176 | 122.6 | 116.3 | 149.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 300 | E | 32.1 | Very low | 35.4 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | 23.2 | 124.1 | 145.6 | -160.6 | 163.8 | -126.1 | 0 | 0 | 125.5 | ||||
| 301 | S | 33.4 | Very low | 35.3 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -158.6 | 163.7 | 132.6 | 70.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 302 | T | 35 | Very low | 35.1 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -98.1 | 170.8 | -152.9 | 39.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 303 | P | 42.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -124.3 | -179.9 | -167.2 | 44.4 | -32.4 | 0 | 0 | 0 | 116.9 | ||||
| 304 | S | 35 | Very low | 34.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 95.9 | 164.8 | 66 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 305 | T | 34 | Very low | 34 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | 35.3 | 132.6 | 136.7 | -39.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 306 | P | 44.9 | Very low | 33.9 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | -111.7 | 169.9 | 172.7 | 41.9 | -34.8 | 0 | 0 | 0 | 116.3 | ||||
| 307 | A | 33.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -166.2 | 160.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 308 | K | 30.2 | Very low | 33.6 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | cis | -172.6 | 137 | -35 | -162.5 | 174.4 | -172 | 177.7 | 0 | 110.9 | ||||
| 309 | G | 30.6 | Very low | 33.3 | Very low | 65 Ų | 65 | 139 Ų | 139 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | 148.9 | 120.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 310 | H | 32.7 | Very low | 33 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | 66.6 | 127 | 49.2 | -64 | -77.4 | 0 | 0 | 0 | 113.9 | ||||
| 311 | S | 31.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | cis | -172 | 161.7 | -2.1 | 54.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 312 | E | 30.6 | Very low | 32.5 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | 79.6 | 133.3 | 150.8 | -70.8 | -160 | 136.7 | 0 | 0 | 123.7 | ||||
| 313 | K | 32.5 | Very low | 32.2 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 70.1 | 115.5 | 145.1 | -67.7 | 159.6 | -171 | 156.6 | 0 | 118.6 | ||||
| 314 | R | 30.9 | Very low | 31.5 | Very low | 238 Ų | 238 | 144.2 Ų | 144.2 | 90% | 0.898 | 78% | 0.775 | S | S | * | * | 66.4 | 136.3 | 85.9 | -97.1 | -165.4 | 170.4 | -177.1 | -3.7 | 114.5 | |||||
| 315 | S | 31 | Very low | 31.4 | Very low | 87 Ų | 87 | 144.4 Ų | 144.4 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | -176.6 | 146.5 | -17.3 | 39.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 316 | T | 31.3 | Very low | 31.1 | Very low | 120 Ų | 120 | 146 Ų | 146 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 59.9 | 122.4 | 150 | 51.2 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 317 | L | 32.6 | Very low | 30.5 | Very low | 148 Ų | 148 | 151.1 Ų | 151.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 88 | 119.2 | 133.5 | -69 | 168.3 | 0 | 0 | 0 | 124.1 | ||||
| 318 | K | 30.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 152 Ų | 152 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 60.3 | 105.8 | 135.6 | -73 | -176.6 | 179.5 | -179 | 0 | 123.1 | ||||
| 319 | L | 29.4 | Very low | 30.4 | Very low | 154 Ų | 154 | 150.5 Ų | 150.5 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 73.6 | 124.8 | 113.1 | -155.2 | 96.6 | 0 | 0 | 0 | 121.2 | |||||
| 320 | K | 28.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 151.4 Ų | 151.4 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 87.4 | 104.3 | 166.7 | -65.4 | -173.8 | 176.6 | -179.5 | 0 | 118.6 | ||||
| 321 | A | 28.7 | Very low | 30.2 | Very low | 100 Ų | 100 | 149 Ų | 149 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | -163.9 | 138 | 115.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 322 | L | 27.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 154 Ų | 154 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 156.2 | 149.4 | -65.2 | 88.3 | 0 | 0 | 0 | 106.3 | ||||
| 323 | T | 27.5 | Very low | 30.2 | Very low | 117 Ų | 117 | 153.5 Ų | 153.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | cis | -170.6 | 170 | 41 | -30.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 324 | R | 28.8 | Very low | 30 | Very low | 235 Ų | 235 | 155.7 Ų | 155.7 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | trans | 68.9 | 97.6 | 160.1 | -63.7 | 178.5 | 180 | 163.6 | 1 | 117.9 | ||||
| 325 | S | 32.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | -144.1 | 90 | 112.9 | -168.4 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 326 | L | 27.9 | Very low | 30.2 | Very low | 170 Ų | 170 | 158.3 Ų | 158.3 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -111.6 | 128 | 159.8 | -77.4 | 172.2 | 0 | 0 | 0 | 106.9 | ||||
| 327 | R | 33 | Very low | 30.9 | Very low | 229 Ų | 229 | 158.9 Ų | 158.9 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | trans | -90.1 | 140.5 | 159.6 | -72.8 | -177.8 | 177.9 | 163 | -0.2 | 107.7 | ||||
| 328 | P | 31.9 | Very low | 31.9 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -80.6 | 138.3 | 174.8 | 33.2 | -32.5 | 0 | 0 | 0 | 110.2 | ||||
| 329 | D | 30.1 | Very low | 33.2 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | trans | -151.8 | 144.7 | 158.7 | -99.9 | -47.3 | 0 | 0 | 0 | 110.3 | ||||
| 330 | A | 30.9 | Very low | 35.6 | Very low | 84 Ų | 84 | 151.1 Ų | 151.1 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 41.4 | 90.9 | 167 | 0 | 0 | 0 | 0 | 0 | 119.1 | K332 | A330-K332 PolarHBondContact O-N 2.81Š|
| 331 | S | 27.5 | Very low | 38.4 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 23.6 | 98.2 | 135.1 | 58.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 332 | K | 30.7 | Very low | 41.4 | Very low | 199 Ų | 199 | 141 Ų | 141 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -101.3 | 131.8 | 144.1 | -75.3 | -172.9 | 175.1 | -176.5 | 0 | 108.2 | A330 E334 | A330-K332 PolarHBondContact O-N 2.81Å; K332-E334 PolarHBondContact O-N 3.46Å | ||
| 333 | T | 30.7 | Very low | 44.6 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 72% | 0.715 | S | S | * | * | trans | -60.5 | 131.7 | 163.6 | 24.6 | 0 | 0 | 0 | 0 | 108.7 | K335 | T333-K335 VanDerWaalsContact C-N 3.31Å; T333-K335 PolarHBondContact O-N 2.85Å | ||
| 334 | E | 29.6 | Very low | 47.7 | Very low | 198 Ų | 198 | 129 Ų | 129 | 93% | 0.925 | 68% | 0.681 | S | S | * | * | trans | -66.8 | 96.8 | 164.7 | -70.2 | 175.9 | 137.6 | 0 | 0 | 107 | K332 E336 | K332-E334 PolarHBondContact O-N 3.46Å; E334-E336 PolarHBondContact O-N 3.28Å | ||
| 335 | K | 32.7 | Very low | 50.8 | Low | 186 Ų | 186 | 120.7 Ų | 120.7 | 81% | 0.809 | 66% | 0.658 | S | S | * | * | trans | -65 | 121.2 | 154.4 | -90 | -162.8 | 169.3 | -162.9 | 0 | 106 | T333 V337 | T333-K335 VanDerWaalsContact C-N 3.31Å; T333-K335 PolarHBondContact O-N 2.85Å; K335-V337 WeakPolarHBondContact O-CG2 3.49Å; K335-V337 PolarHBondContact O-N 3Å; K335-V337 VanDerWaalsContact O-N 3.11Å | ||
| 336 | E | 32 | Very low | 53.7 | Low | 194 Ų | 194 | 116.4 Ų | 116.4 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | trans | -53 | 114.1 | 167.5 | -163.4 | 159.3 | -148.8 | 0 | 0 | 107.8 | E334 E338 | E334-E336 PolarHBondContact O-N 3.28Å; E336-E338 PolarHBondContact O-N 3.19Å | ||
| 337 | V | 45.8 | Very low | 56.8 | Low | 133 Ų | 133 | 108.5 Ų | 108.5 | 81% | 0.806 | 59% | 0.588 | S | S | * | * | trans | -87.5 | 108.4 | -177.9 | -179.8 | 0 | 0 | 0 | 0 | 106.9 | K335 | K335-V337 WeakPolarHBondContact O-CG2 3.49Å; K335-V337 PolarHBondContact O-N 3Å; K335-V337 VanDerWaalsContact O-N 3.11Å | ||
| 338 | E | 53.7 | Low | 59.5 | Low | 128 Ų | 128 | 102.9 Ų | 102.9 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 145 | 174.3 | -71.6 | 179 | 114.7 | 0 | 0 | 111.1 | H169 E336 S340 | H169-E338 IonicContact CE1-OE1 3.47Å; H169-E338 IonicContact CE1-OE2 2.74Å; H169-E338 PolarHBondContact CE1-OE2 2.8Å; H169-E338 IonicContact ND1-OE2 3.59Å; H169-E338 PolarHBondContact ND1-OE2 3.41Å; E336-E338 PolarHBondContact O-N 3.19Å; E338-S340 PolarHBondContact O-N 3.37Å |
| 339 | P | 58.7 | Low | 62.4 | Low | 106 Ų | 106 | 98 Ų | 98 | 69% | 0.688 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 123.2 | 178 | 26 | -33.7 | 0 | 0 | 0 | 110.3 | L341 | P339-L341 PolarHBondContact O-N 2.83Š|
| 340 | S | 79.4 | Confident | 65.2 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 131.9 | 173.7 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | E338 | E338-S340 PolarHBondContact O-N 3.37Š|
| 341 | L | 87.8 | Confident | 68.2 | Low | 35 Ų | 35 | 86.8 Ų | 86.8 | 18% | 0.183 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 132.1 | -178.5 | -64.3 | 172.5 | 0 | 0 | 0 | 110.4 | A164 K166 H169 T171 P339 V343 | A164-L341 HydrophobicContact CB-CB 3.97Å; K166-L341 HydrophobicContact CB-CD1 3.7Å; K166-L341 HydrophobicContact CB-CD2 3.96Å; K166-L341 HydrophobicContact CD-CD2 4.27Å; H169-L341 HydrophobicContact CB-CD1 4.31Å; H169-L341 WeakPolarHBondContact O-CD1 3.24Å; T171-L341 WeakPolarHBondContact CG2-O 3.42Å; T171-L341 PolarHBondContact OG1-N 3.11Å; T171-L341 VanDerWaalsContact OG1-N 3.1Å; P339-L341 PolarHBondContact O-N 2.83Å; L341-V343 PolarHBondContact O-N 2.66Å |
| 342 | P | 91.7 | Very high | 71.3 | Confident | 47 Ų | 47 | 81.1 Ų | 81.1 | 31% | 0.305 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 124.4 | 175.9 | 23.8 | -31.7 | 0 | 0 | 0 | 110.4 | I232 | I232-P342 HydrophobicContact CG2-CB 4.05Å; I232-P342 HydrophobicContact CG2-CG 3.72Å; I232-P342 WeakPolarHBondContact CG2-O 3.35Å |
| 343 | V | 93 | Very high | 74.4 | Confident | 23 Ų | 23 | 71.7 Ų | 71.7 | 14% | 0.139 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 135.8 | 176.8 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | Q162 A164 T171 T178 L341 | Q162-V343 HydrophobicContact CB-CG1 3.78Å; A164-V343 HydrophobicContact CB-CB 4.45Å; A164-V343 HydrophobicContact CB-CG2 3.85Å; T171-V343 HydrophobicContact CG2-CG2 4.08Å; T171-V343 WeakPolarHBondContact O-CG2 3.2Å; T178-V343 HydrophobicContact CG2-CB 4.25Å; T178-V343 HydrophobicContact CG2-CG1 4.08Å; L341-V343 PolarHBondContact O-N 2.66Å |
| 344 | P | 93.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 158.3 | -178.9 | 23.5 | -26.1 | 0 | 0 | 0 | 113 | V150 Q162 T178 Q230 I232 | V150-P344 HydrophobicContact CG2-CG 3.69Å; Q162-P344 PolarHBondContact NE2-O 3.37Å; T178-P344 WeakPolarHBondContact CB-O 3.35Å; T178-P344 WeakPolarHBondContact CG2-O 3.41Å; Q230-P344 HydrophobicContact CB-CB 4.36Å; Q230-P344 WeakPolarHBondContact O-CB 3.46Å; I232-P344 HydrophobicContact CG1-CG 4.21Å |
| 345 | P | 93.6 | Very high | 80.2 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 164.1 | 171.9 | -22.4 | 33.2 | 0 | 0 | 0 | 112.7 | Q162 Q230 | Q162-P345 PolarHBondContact NE2-O 3.47Å; Q230-P345 HydrophobicContact CB-CB 4.35Å; Q230-P345 HydrophobicContact CB-CG 4.46Å; Q230-P345 HydrophobicContact CG-CB 4.36Å |
| 346 | A | 92.6 | Very high | 82.8 | Confident | 26 Ų | 26 | 56.8 Ų | 56.8 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -52.4 | 135.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L177 T178 A179 Q230 | L177-A346 PolarHBondContact O-N 2.96Å; T178-A346 WeakPolarHBondContact O-CA 3.13Å; A179-A346 VanDerWaalsContact O-CB 3.32Å; A179-A346 WeakPolarHBondContact O-CB 3.22Å; Q230-A346 WeakPolarHBondContact CG-O 3.37Å |
| 347 | P | 93.1 | Very high | 85.8 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 141.9 | -178.5 | 28.5 | -36.1 | 0 | 0 | 0 | 111.7 | L160 C180 L215 A227 I228 | L160-P347 HydrophobicContact CD2-CG 3.55Å; C180-P347 HydrophobicContact CB-CG 4.4Å; L215-P347 HydrophobicContact CD2-CG 4.45Å; A227-P347 HydrophobicContact CB-CB 3.97Å; A227-P347 HydrophobicContact CB-CG 4.38Å; I228-P347 WeakPolarHBondContact O-CA 3.15Å |
| 348 | R | 90.8 | Very high | 88.2 | Confident | 111 Ų | 111 | 46.9 Ų | 46.9 | 42% | 0.419 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.4 | -174.2 | -171.2 | -176.5 | 78.7 | -177.3 | 5.9 | 110.5 | A227 I228 S350 | A227-R348 CarbonylContact C-O 3.57Å; A227-R348 WeakPolarHBondContact CA-O 3.17Å; I228-R348 PolarHBondContact N-O 2.83Å; I228-R348 PolarHBondContact O-N 3.11Å; R348-S350 PolarHBondContact O-N 2.83Å |
| 349 | I | 92 | Very high | 90.3 | Very high | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.087 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 137.7 | 174 | -47.3 | -53.3 | 0 | 0 | 0 | 109.8 | I185 A225 A227 L352 P401 | I185-I349 HydrophobicContact CD1-CD1 3.92Å; I185-I349 HydrophobicContact CD1-CG1 4.36Å; I185-I349 HydrophobicContact CG1-CD1 3.99Å; I185-I349 HydrophobicContact CG1-CG1 3.94Å; I185-I349 HydrophobicContact CG2-CG1 4.38Å; A225-I349 HydrophobicContact CB-CD1 4.41Å; A225-I349 HydrophobicContact CB-CG2 4.41Å; A227-I349 HydrophobicContact CB-CD1 3.89Å; I349-L352 HydrophobicContact CG2-CD2 3.96Å; I349-L352 HydrophobicContact CG2-CG 4.24Å; I349-P401 HydrophobicContact CB-CB 4.4Å; I349-P401 HydrophobicContact CG2-CB 3.8Å; I349-P401 HydrophobicContact CG2-CG 4.45Å |
| 350 | S | 90.5 | Very high | 92.1 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | -38.5 | -178.8 | 67.9 | 0 | 0 | 0 | 0 | 112.5 | V226 R348 I402 | V226-S350 WeakPolarHBondContact O-CA 3.43Å; V226-S350 PolarHBondContact O-N 3.05Å; V226-S350 PolarHBondContact O-OG 2.92Å; R348-S350 PolarHBondContact O-N 2.83Å; S350-I402 PolarHBondContact O-N 2.88Å |
| 351 | H | 92.7 | Very high | 93 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 153.5 | 179 | -57.1 | 78.5 | 0 | 0 | 0 | 111.1 | V226 V391 I402 V404 | V226-H351 HydrophobicContact CB-CB 4.04Å; V226-H351 HydrophobicContact CG2-CB 4.23Å; V226-H351 PolarHBondContact N-O 2.82Å; V226-H351 PolarHBondContact O-N 3.04Å; V226-H351 VanDerWaalsContact O-N 3.16Å; H351-V391 PolarHBondContact CE1-O 2.9Å; H351-V391 PolarHBondContact NE2-O 3.18Å; H351-V391 VanDerWaalsContact NE2-O 3.09Å; H351-I402 CarbonylContact C-O 3.47Å; H351-I402 VanDerWaalsContact CA-O 3.23Å; H351-I402 WeakPolarHBondContact CA-O 3.04Å; H351-V404 HydrophobicContact CB-CG2 4.16Å |
| 352 | L | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125.3 | 172.1 | -65.4 | 169.5 | 0 | 0 | 0 | 109.1 | I185 V189 L197 A225 I349 P401 I402 I403 V404 | I185-L352 HydrophobicContact CG2-CD2 4.17Å; V189-L352 HydrophobicContact CG2-CD1 3.51Å; L197-L352 HydrophobicContact CD2-CD1 4.06Å; A225-L352 HydrophobicContact CB-CD2 3.77Å; I349-L352 HydrophobicContact CG2-CD2 3.96Å; I349-L352 HydrophobicContact CG2-CG 4.24Å; L352-P401 HydrophobicContact CD1-CB 4.2Å; L352-P401 HydrophobicContact CD1-CG 3.79Å; L352-P401 HydrophobicContact CG-CB 4.23Å; L352-P401 HydrophobicContact CG-CG 4.36Å; L352-I402 PolarHBondContact N-O 2.95Å; L352-I403 HydrophobicContact CB-CG1 4.29Å; L352-I403 HydrophobicContact CD1-CG1 4.28Å; L352-I403 WeakPolarHBondContact O-CA 3.13Å; L352-V404 PolarHBondContact O-N 3.19Å |
| 353 | L | 94.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 121.9 | 174.3 | -43 | 179.1 | 0 | 0 | 0 | 107 | C223 V224 V376 V378 W388 I390 V404 | C223-L353 WeakPolarHBondContact CA-O 3.22Å; V224-L353 HydrophobicContact CB-CB 4.19Å; V224-L353 HydrophobicContact CB-CD1 4.16Å; V224-L353 HydrophobicContact CB-CG 4.42Å; V224-L353 HydrophobicContact CG1-CD1 4.32Å; V224-L353 PolarHBondContact N-O 3.46Å; V224-L353 PolarHBondContact O-N 3.14Å; L353-V376 HydrophobicContact CD1-CB 4.23Å; L353-V376 HydrophobicContact CD1-CG1 4Å; L353-V378 HydrophobicContact CD1-CG2 4.15Å; L353-W388 HydrophobicContact CB-CD2 4.07Å; L353-W388 HydrophobicContact CB-CE3 4.12Å; L353-W388 HydrophobicContact CB-CG 4.46Å; L353-W388 HydrophobicContact CB-CZ3 4.44Å; L353-W388 HydrophobicContact CD1-CB 3.7Å; L353-W388 HydrophobicContact CD1-CD2 4.29Å; L353-W388 HydrophobicContact CD1-CG 3.81Å; L353-W388 HydrophobicContact CD2-CB 3.96Å; L353-W388 HydrophobicContact CD2-CD2 4.17Å; L353-W388 HydrophobicContact CD2-CE3 3.89Å; L353-W388 HydrophobicContact CD2-CG 4.24Å; L353-W388 HydrophobicContact CG-CB 4.4Å; L353-W388 HydrophobicContact CG-CD2 4.4Å; L353-W388 HydrophobicContact CG-CE3 4.48Å; L353-W388 HydrophobicContact CG-CG 4.39Å; L353-I390 HydrophobicContact CD1-CD1 4.41Å; L353-I390 HydrophobicContact CD2-CD1 4.01Å; L353-V404 HydrophobicContact CD2-CB 3.67Å; L353-V404 HydrophobicContact CD2-CG1 4.25Å; L353-V404 HydrophobicContact CD2-CG2 3.56Å |
| 354 | L | 92.2 | Very high | 93.8 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 17% | 0.168 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.4 | -173.1 | -59.2 | 177.8 | 0 | 0 | 0 | 110.6 | L197 C223 W388 I403 | L197-L354 HydrophobicContact CD2-CD1 4.14Å; L197-L354 HydrophobicContact CD2-CD2 3.94Å; C223-L354 HydrophobicContact CB-CD2 3.61Å; L354-W388 WeakPolarHBondContact O-CH2 3.32Å; L354-I403 HydrophobicContact CD1-CG2 3.91Å; L354-I403 HydrophobicContact CG-CG2 4.47Å |
| 355 | R | 89.9 | Confident | 93.8 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 14% | 0.143 | 18% | 0.178 | C | C | . | . | trans | -136.5 | 151.3 | 171.5 | -168.7 | 178.2 | 176.9 | -136.1 | -8.8 | 109.9 | G222 Q357 Y380 D382 | G222-R355 PolarHBondContact O-N 2.92Å; G222-R355 VanDerWaalsContact O-N 3.08Å; R355-Q357 HydrophobicContact CG-CB 4.36Å; R355-Q357 HydrophobicContact CG-CG 4.44Å; R355-Q357 PolarHBondContact O-N 3.46Å; R355-Q357 VanDerWaalsContact O-N 3.07Å; R355-Y380 HydrophobicContact CB-CD1 4.48Å; R355-Y380 HydrophobicContact CB-CE1 3.66Å; R355-Y380 VanDerWaalsContact CD-CZ 3.43Å; R355-Y380 HydrophobicContact CG-CE1 4.14Å; R355-Y380 VanDerWaalsContact NH1-CG 3.26Å; R355-D382 IonicContact CZ-OD1 3.68Å; R355-D382 IonicContact CZ-OD2 3.51Å; R355-D382 IonicContact NH1-OD1 3.85Å; R355-D382 PolarHBondContact NH1-OD1 2.86Å; R355-D382 IonicContact NH1-OD2 3.89Å; R355-D382 PolarHBondContact NH1-OD2 2.99Å; R355-D382 VanDerWaalsContact NH1-OD2 3.14Å; R355-D382 IonicContact NH2-OD2 2.6Å; R355-D382 PolarHBondContact NH2-OD2 3.19Å | ||
| 356 | D | 89.2 | Confident | 93.5 | Very high | 137 Ų | 137 | 33.9 Ų | 33.9 | 73% | 0.733 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -75.8 | 20.6 | 177.2 | 68.3 | -32 | 0 | 0 | 0 | 114.3 | ||
| 357 | Q | 93.9 | Very high | 93.1 | Very high | 56 Ų | 56 | 35.4 Ų | 35.4 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -129.3 | 143.5 | -179.7 | -63.2 | -56.1 | -48.9 | 0 | 0 | 109.5 | G222 R355 V359 Y380 D382 | G222-Q357 WeakPolarHBondContact CA-O 3.07Å; R355-Q357 HydrophobicContact CG-CB 4.36Å; R355-Q357 HydrophobicContact CG-CG 4.44Å; R355-Q357 PolarHBondContact O-N 3.46Å; R355-Q357 VanDerWaalsContact O-N 3.07Å; Q357-V359 PolarHBondContact O-N 3.16Å; Q357-Y380 HydrophobicContact CB-CD1 4.06Å; Q357-Y380 HydrophobicContact CB-CG 4.36Å; Q357-D382 HydrophobicContact CG-CB 4.49Å |
| 358 | P | 96 | Very high | 92.6 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 40% | 0.403 | 19% | 0.187 | S | C | . | . | trans | -60.2 | 135.8 | 176.7 | 26.8 | -34.3 | 0 | 0 | 0 | 110.1 | A220 Y380 G381 | A220-P358 CarbonylContact O-C 3.56Å; A220-P358 WeakPolarHBondContact O-CA 3.44Å; A220-P358 WeakPolarHBondContact O-CB 3.36Å; P358-Y380 CarbonylContact O-C 3.34Å; P358-Y380 VanDerWaalsContact O-CA 3.24Å; P358-Y380 WeakPolarHBondContact O-CA 3.5Å; P358-Y380 WeakPolarHBondContact O-CB 3.32Å; P358-G381 PolarHBondContact O-N 2.92Å | ||
| 359 | V | 97.7 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 141.5 | 172.6 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | I204 A218 A220 V224 Q357 V378 Y380 | I204-V359 VanDerWaalsContact CD1-C 3.43Å; I204-V359 HydrophobicContact CD1-CB 4.01Å; I204-V359 HydrophobicContact CD1-CG1 3.95Å; I204-V359 WeakPolarHBondContact CD1-O 3.34Å; A218-V359 HydrophobicContact CB-CG1 4.12Å; A220-V359 PolarHBondContact O-N 2.84Å; A220-V359 VanDerWaalsContact O-N 3.07Å; V224-V359 HydrophobicContact CG2-CG1 4.04Å; V224-V359 HydrophobicContact CG2-CG2 3.93Å; Q357-V359 PolarHBondContact O-N 3.16Å; V359-V378 HydrophobicContact CG1-CG1 3.68Å; V359-V378 HydrophobicContact CG2-CG1 4.08Å; V359-Y380 HydrophobicContact CG2-CD1 4.18Å; V359-Y380 HydrophobicContact CG2-CE1 3.92Å |
| 360 | E | 97.3 | Very high | 90.9 | Very high | 63 Ų | 63 | 41.1 Ų | 41.1 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -33.9 | 175.6 | -67.5 | -83 | 159 | 0 | 0 | 110.7 | A379 A421 I422 | E360-A379 PolarHBondContact N-O 2.95Å; E360-A421 VanDerWaalsContact CD-CB 3.48Å; E360-A421 HydrophobicContact CG-CB 3.85Å; E360-I422 WeakPolarHBondContact CB-O 3.11Å |
| 361 | W | 98 | Very high | 90.3 | Very high | 55 Ų | 55 | 42.4 Ų | 42.4 | 21% | 0.208 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 155.6 | 172.2 | -161.8 | -96.2 | 0 | 0 | 0 | 111.9 | A379 K424 I425 | W361-A379 HydrophobicContact CB-CB 4.34Å; W361-A379 PolarHBondContact N-O 2.83Å; W361-A379 PolarHBondContact O-N 3.39Å; W361-K424 HydrophobicContact CD2-CB 4.22Å; W361-K424 HydrophobicContact CD2-CG 3.81Å; W361-K424 HydrophobicContact CE3-CB 4.3Å; W361-K424 HydrophobicContact CE3-CG 4.15Å; W361-K424 HydrophobicContact CG-CB 4.43Å; W361-K424 HydrophobicContact CG-CG 4.2Å; W361-K424 HydrophobicContact CH2-CD 4.44Å; W361-K424 HydrophobicContact CZ2-CD 4.35Å; W361-K424 HydrophobicContact CZ2-CG 4.19Å; W361-K424 HydrophobicContact CZ3-CG 4.48Å; W361-I425 HydrophobicContact CB-CG2 4.4Å; W361-I425 PolarHBondContact NE1-O 3.27Å |
| 362 | A | 97.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | S205 L216 A218 V224 V377 V378 | S205-A362 PolarHBondContact OG-O 3.24Å; L216-A362 HydrophobicContact CD2-CB 3.84Å; L216-A362 HydrophobicContact CG-CB 4.38Å; A218-A362 HydrophobicContact CB-CB 3.87Å; V224-A362 HydrophobicContact CG1-CB 3.86Å; V224-A362 HydrophobicContact CG2-CB 4.03Å; A362-V377 VanDerWaalsContact CA-O 3.29Å; A362-V377 WeakPolarHBondContact CA-O 3.39Å; A362-V378 HydrophobicContact CB-CG1 4.43Å; A362-V378 HydrophobicContact CB-CG2 4.14Å |
| 363 | S | 96.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 156.8 | -175.9 | -175.3 | 0 | 0 | 0 | 0 | 110.8 | E207 V377 I425 | E207-S363 VanDerWaalsContact CD-OG 3.31Å; E207-S363 PolarHBondContact OE1-OG 3.27Å; E207-S363 VanDerWaalsContact OE2-CA 3.28Å; E207-S363 WeakPolarHBondContact OE2-CA 3.48Å; E207-S363 WeakPolarHBondContact OE2-CB 3.43Å; E207-S363 PolarHBondContact OE2-OG 3.2Å; S363-V377 PolarHBondContact N-O 2.9Å; S363-V377 WeakPolarHBondContact O-CG1 3.36Å; S363-V377 PolarHBondContact O-N 3.2Å; S363-I425 WeakPolarHBondContact CB-O 3.44Å |
| 364 | W | 94.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 134.3 | 174.1 | -69.8 | 95 | 0 | 0 | 0 | 110.7 | E207 Q209 H214 L216 V226 V366 S373 V376 I390 | E207-W364 PolarHBondContact O-NE1 3.23Å; E207-W364 VanDerWaalsContact O-NE1 3.08Å; E207-W364 WeakPolarHBondContact OE1-CB 3.33Å; E207-W364 VanDerWaalsContact OE1-CD1 3.24Å; E207-W364 PolarHBondContact OE1-N 3.11Å; Q209-W364 HydrophobicContact CB-CD2 4.09Å; Q209-W364 HydrophobicContact CB-CH2 4.32Å; Q209-W364 HydrophobicContact CB-CZ2 3.83Å; Q209-W364 HydrophobicContact CG-CD2 4.05Å; Q209-W364 HydrophobicContact CG-CE3 4.1Å; Q209-W364 HydrophobicContact CG-CH2 4.31Å; Q209-W364 HydrophobicContact CG-CZ2 4.27Å; Q209-W364 HydrophobicContact CG-CZ3 4.22Å; Q209-W364 VanDerWaalsContact N-NE1 3.18Å; H214-W364 HydrophobicContact CB-CH2 3.76Å; H214-W364 HydrophobicContact CB-CZ2 3.66Å; L216-W364 HydrophobicContact CB-CZ2 4.31Å; V226-W364 HydrophobicContact CG1-CH2 3.87Å; V226-W364 HydrophobicContact CG1-CZ2 4.13Å; W364-V366 PolarHBondContact O-N 3.28Å; W364-S373 VanDerWaalsContact CE3-O 3.3Å; W364-S373 VanDerWaalsContact CZ3-O 3.31Å; W364-S373 WeakPolarHBondContact CZ3-O 3.47Å; W364-V376 HydrophobicContact CD2-CG2 4.15Å; W364-V376 HydrophobicContact CE3-CG2 3.75Å; W364-V376 HydrophobicContact CH2-CG2 4.18Å; W364-V376 HydrophobicContact CZ3-CG2 3.78Å; W364-I390 HydrophobicContact CH2-CG1 4.36Å; W364-I390 HydrophobicContact CZ3-CG1 4.04Å |
| 365 | R | 92.6 | Very high | 89.2 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -82.5 | 95.9 | 173.5 | -178.3 | 177.6 | -176 | -143.5 | 11.9 | 108.7 | T367 E375 I427 | R365-T367 HydrophobicContact CG-CG2 4.11Å; R365-T367 PolarHBondContact O-N 3.44Å; R365-E375 HydrophobicContact CB-CB 3.9Å; R365-E375 WeakPolarHBondContact CD-OE2 3.37Å; R365-E375 HydrophobicContact CG-CB 4.46Å; R365-E375 IonicContact CZ-OE2 2.7Å; R365-E375 PolarHBondContact N-O 3.01Å; R365-E375 IonicContact NE-OE2 3.17Å; R365-E375 VanDerWaalsContact NH1-CD 3.26Å; R365-E375 IonicContact NH1-OE1 3.7Å; R365-E375 PolarHBondContact NH1-OE1 2.76Å; R365-E375 VanDerWaalsContact NH1-OE1 3.17Å; R365-E375 IonicContact NH1-OE2 3.01Å; R365-E375 PolarHBondContact NH1-OE2 2.8Å; R365-I427 HydrophobicContact CG-CB 4.15Å; R365-I427 HydrophobicContact CG-CG2 3.88Å |
| 366 | V | 88 | Confident | 89.4 | Confident | 24 Ų | 24 | 50.1 Ų | 50.1 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | trans | -83.3 | 106.6 | -180 | -174.3 | 0 | 0 | 0 | 0 | 109 | P210 W364 I427 S428 P429 | P210-V366 HydrophobicContact CG-CG2 3.84Å; W364-V366 PolarHBondContact O-N 3.28Å; V366-I427 PolarHBondContact N-O 2.95Å; V366-I427 VanDerWaalsContact N-O 3.1Å; V366-S428 CarbonylContact O-C 3.57Å; V366-P429 HydrophobicContact CG1-CG 4.09Å; V366-P429 VanDerWaalsContact O-CD 3.25Å; V366-P429 WeakPolarHBondContact O-CD 3.41Å; V366-P429 WeakPolarHBondContact O-CG 3.47Å | ||
| 367 | T | 85.5 | Confident | 89.7 | Confident | 58 Ų | 58 | 43.6 Ų | 43.6 | 36% | 0.356 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -92.1 | -26 | -176.2 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | R365 L435 | R365-T367 HydrophobicContact CG-CG2 4.11Å; R365-T367 PolarHBondContact O-N 3.44Å; T367-L435 HydrophobicContact CG2-CD1 4.11Å; T367-L435 HydrophobicContact CG2-CD2 4.5Å |
| 368 | S | 81.8 | Confident | 89.9 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 32% | 0.315 | 22% | 0.223 | S | C | . | . | trans | -159 | 143 | 167.5 | 172 | 0 | 0 | 0 | 0 | 109.2 | D370 S371 | S368-D370 PolarHBondContact O-N 2.79Å; S368-S371 WeakPolarHBondContact CB-OG 3.4Å; S368-S371 PolarHBondContact N-OG 2.8Å; S368-S371 PolarHBondContact O-N 2.83Å; S368-S371 VanDerWaalsContact O-N 3.12Å; S368-S371 PolarHBondContact O-OG 3.26Å | ||
| 369 | V | 73.7 | Confident | 89.9 | Confident | 52 Ų | 52 | 38 Ų | 38 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -38.2 | -175.2 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | S371 P429 S501 | V369-S371 PolarHBondContact O-N 3.17Å; V369-P429 HydrophobicContact CG2-CG 4.39Å; V369-S501 WeakPolarHBondContact CG2-O 3.44Å |
| 370 | D | 73.7 | Confident | 89.9 | Confident | 155 Ų | 155 | 37.9 Ų | 37.9 | 83% | 0.829 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -0.4 | 178.4 | -62.1 | -39.2 | 0 | 0 | 0 | 113.5 | S368 | S368-D370 PolarHBondContact O-N 2.79Š|
| 371 | S | 78.1 | Confident | 89.8 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -114.6 | 138.8 | -171.1 | 75.1 | 0 | 0 | 0 | 0 | 113.2 | Q211 S368 V369 S373 | Q211-S371 PolarHBondContact NE2-O 2.95Å; S368-S371 WeakPolarHBondContact CB-OG 3.4Å; S368-S371 PolarHBondContact N-OG 2.8Å; S368-S371 PolarHBondContact O-N 2.83Å; S368-S371 VanDerWaalsContact O-N 3.12Å; S368-S371 PolarHBondContact O-OG 3.26Å; V369-S371 PolarHBondContact O-N 3.17Å; S371-S373 PolarHBondContact O-N 2.9Å |
| 372 | L | 81.9 | Confident | 89.6 | Confident | 106 Ų | 106 | 35.2 Ų | 35.2 | 56% | 0.555 | 20% | 0.2 | S | C | * | . | trans | -58 | 118.2 | 171.8 | -84.6 | 159.1 | 0 | 0 | 0 | 110.2 | Q211 T374 | Q211-L372 HydrophobicContact CB-CD2 3.76Å; Q211-L372 HydrophobicContact CG-CD2 3.84Å; Q211-L372 HydrophobicContact CG-CG 4.36Å; L372-T374 PolarHBondContact O-N 3.2Å | ||
| 373 | S | 85.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -76.4 | 93.6 | -178.1 | -47.3 | 0 | 0 | 0 | 0 | 109.8 | Q209 W364 S371 E375 | Q209-S373 PolarHBondContact NE2-O 3.46Å; W364-S373 VanDerWaalsContact CE3-O 3.3Å; W364-S373 VanDerWaalsContact CZ3-O 3.31Å; W364-S373 WeakPolarHBondContact CZ3-O 3.47Å; S371-S373 PolarHBondContact O-N 2.9Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 3.31Å | ||
| 374 | T | 88.6 | Confident | 89.4 | Confident | 78 Ų | 78 | 35 Ų | 35 | 48% | 0.479 | 20% | 0.199 | S | C | . | . | trans | -89.6 | 19.2 | -176.7 | 57.7 | 0 | 0 | 0 | 0 | 113.8 | L372 I390 | L372-T374 PolarHBondContact O-N 3.2Å; T374-I390 PolarHBondContact O-N 3.33Å | ||
| 375 | E | 92 | Very high | 89.5 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 23% | 0.234 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 144.8 | -175.1 | -68 | -179.1 | 133.1 | 0 | 0 | 110.6 | R365 S373 V387 W388 | R365-E375 HydrophobicContact CB-CB 3.9Å; R365-E375 WeakPolarHBondContact CD-OE2 3.37Å; R365-E375 HydrophobicContact CG-CB 4.46Å; R365-E375 IonicContact CZ-OE2 2.7Å; R365-E375 PolarHBondContact N-O 3.01Å; R365-E375 IonicContact NE-OE2 3.17Å; R365-E375 VanDerWaalsContact NH1-CD 3.26Å; R365-E375 IonicContact NH1-OE1 3.7Å; R365-E375 PolarHBondContact NH1-OE1 2.76Å; R365-E375 VanDerWaalsContact NH1-OE1 3.17Å; R365-E375 IonicContact NH1-OE2 3.01Å; R365-E375 PolarHBondContact NH1-OE2 2.8Å; S373-E375 VanDerWaalsContact C-N 3.29Å; S373-E375 PolarHBondContact O-N 3.31Å; E375-V387 HydrophobicContact CB-CG1 4.14Å; E375-V387 HydrophobicContact CG-CG1 4.44Å; E375-W388 WeakPolarHBondContact CA-O 3.21Å |
| 376 | V | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.8 | 177 | 169 | 0 | 0 | 0 | 0 | 108.4 | L216 L353 W364 V378 V387 W388 I390 | L216-V376 HydrophobicContact CD1-CG1 3.86Å; L216-V376 HydrophobicContact CD1-CG2 3.79Å; L216-V376 HydrophobicContact CD2-CG1 3.81Å; L216-V376 HydrophobicContact CD2-CG2 4.32Å; L216-V376 HydrophobicContact CG-CG1 4.49Å; L353-V376 HydrophobicContact CD1-CB 4.23Å; L353-V376 HydrophobicContact CD1-CG1 4Å; W364-V376 HydrophobicContact CD2-CG2 4.15Å; W364-V376 HydrophobicContact CE3-CG2 3.75Å; W364-V376 HydrophobicContact CH2-CG2 4.18Å; W364-V376 HydrophobicContact CZ3-CG2 3.78Å; V376-V378 HydrophobicContact CG1-CG2 3.86Å; V376-V387 CarbonylContact O-C 3.58Å; V376-V387 WeakPolarHBondContact O-CA 3.21Å; V376-W388 PolarHBondContact N-O 2.88Å; V376-W388 PolarHBondContact O-N 2.86Å; V376-I390 HydrophobicContact CG2-CD1 4.07Å; V376-I390 HydrophobicContact CG2-CG1 3.78Å |
| 377 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.5 | 165.1 | 61.6 | 0 | 0 | 0 | 0 | 109.7 | A362 S363 F385 I425 I427 | A362-V377 VanDerWaalsContact CA-O 3.29Å; A362-V377 WeakPolarHBondContact CA-O 3.39Å; S363-V377 PolarHBondContact N-O 2.9Å; S363-V377 WeakPolarHBondContact O-CG1 3.36Å; S363-V377 PolarHBondContact O-N 3.2Å; V377-F385 HydrophobicContact CG2-CB 4.41Å; V377-F385 HydrophobicContact CG2-CD2 3.87Å; V377-I425 HydrophobicContact CG1-CG2 4.11Å; V377-I425 HydrophobicContact CG2-CD1 3.82Å; V377-I425 HydrophobicContact CG2-CG1 4.24Å; V377-I425 HydrophobicContact CG2-CG2 4.1Å; V377-I427 HydrophobicContact CB-CD1 3.92Å; V377-I427 HydrophobicContact CB-CG1 4.44Å; V377-I427 HydrophobicContact CG1-CD1 4.15Å; V377-I427 HydrophobicContact CG1-CG1 4.11Å; V377-I427 HydrophobicContact CG2-CD1 3.84Å |
| 378 | V | 97.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.1 | 175.7 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | V224 L353 V359 A362 V376 Y380 F385 Q386 | V224-V378 HydrophobicContact CB-CG2 4.42Å; V224-V378 HydrophobicContact CG2-CG1 3.74Å; V224-V378 HydrophobicContact CG2-CG2 3.91Å; L353-V378 HydrophobicContact CD1-CG2 4.15Å; V359-V378 HydrophobicContact CG1-CG1 3.68Å; V359-V378 HydrophobicContact CG2-CG1 4.08Å; A362-V378 HydrophobicContact CB-CG1 4.43Å; A362-V378 HydrophobicContact CB-CG2 4.14Å; V376-V378 HydrophobicContact CG1-CG2 3.86Å; V378-Y380 HydrophobicContact CB-CE2 3.93Å; V378-Y380 HydrophobicContact CG1-CD1 4.34Å; V378-Y380 HydrophobicContact CG1-CE1 3.64Å; V378-Y380 HydrophobicContact CG1-CE2 3.85Å; V378-Y380 WeakPolarHBondContact CG1-OH 3.34Å; V378-Y380 WeakPolarHBondContact O-CE2 3.44Å; V378-F385 CarbonylContact O-C 3.6Å; V378-F385 WeakPolarHBondContact O-CA 3.43Å; V378-F385 WeakPolarHBondContact O-CB 3.3Å; V378-Q386 PolarHBondContact N-O 3.3Å; V378-Q386 PolarHBondContact O-N 3.47Å |
| 379 | A | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 149 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | E360 W361 F385 I422 I425 | E360-A379 PolarHBondContact N-O 2.95Å; W361-A379 HydrophobicContact CB-CB 4.34Å; W361-A379 PolarHBondContact N-O 2.83Å; W361-A379 PolarHBondContact O-N 3.39Å; A379-F385 HydrophobicContact CB-CB 4.38Å; A379-I422 HydrophobicContact CB-CB 3.89Å; A379-I422 HydrophobicContact CB-CG2 3.6Å; A379-I422 WeakPolarHBondContact CB-O 3.43Å; A379-I425 HydrophobicContact CB-CB 4.15Å; A379-I425 HydrophobicContact CB-CG2 3.55Å |
| 380 | Y | 97.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 29 Ų | 29 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.3 | -165.7 | -58.1 | -85.9 | 0 | 0 | 0 | 113.3 | R355 Q357 P358 V359 V378 D382 G383 A384 Q386 W388 I422 | R355-Y380 HydrophobicContact CB-CD1 4.48Å; R355-Y380 HydrophobicContact CB-CE1 3.66Å; R355-Y380 VanDerWaalsContact CD-CZ 3.43Å; R355-Y380 HydrophobicContact CG-CE1 4.14Å; R355-Y380 VanDerWaalsContact NH1-CG 3.26Å; Q357-Y380 HydrophobicContact CB-CD1 4.06Å; Q357-Y380 HydrophobicContact CB-CG 4.36Å; P358-Y380 CarbonylContact O-C 3.34Å; P358-Y380 VanDerWaalsContact O-CA 3.24Å; P358-Y380 WeakPolarHBondContact O-CA 3.5Å; P358-Y380 WeakPolarHBondContact O-CB 3.32Å; V359-Y380 HydrophobicContact CG2-CD1 4.18Å; V359-Y380 HydrophobicContact CG2-CE1 3.92Å; V378-Y380 HydrophobicContact CB-CE2 3.93Å; V378-Y380 HydrophobicContact CG1-CD1 4.34Å; V378-Y380 HydrophobicContact CG1-CE1 3.64Å; V378-Y380 HydrophobicContact CG1-CE2 3.85Å; V378-Y380 WeakPolarHBondContact CG1-OH 3.34Å; V378-Y380 WeakPolarHBondContact O-CE2 3.44Å; Y380-D382 VanDerWaalsContact CB-OD1 3.24Å; Y380-D382 WeakPolarHBondContact CB-OD1 3.14Å; Y380-D382 PolarHBondContact O-N 2.87Å; Y380-G383 PolarHBondContact O-N 3.35Å; Y380-G383 VanDerWaalsContact O-N 3.09Å; Y380-A384 PolarHBondContact N-O 3.24Å; Y380-Q386 HydrophobicContact CE2-CB 3.97Å; Y380-W388 PolarHBondContact OH-NE1 3.36Å; Y380-W388 VanDerWaalsContact OH-NE1 3.14Å; Y380-I422 PolarHBondContact O-N 3.15Å |
| 381 | G | 95.2 | Very high | 91.6 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -15.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P358 G383 A421 | P358-G381 PolarHBondContact O-N 2.92Å; G381-G383 PolarHBondContact O-N 3.27Å; G381-A421 PolarHBondContact O-N 3.01Å |
| 382 | D | 94.1 | Very high | 91 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 23% | 0.225 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -5.1 | 172.9 | 69.8 | -24.4 | 0 | 0 | 0 | 113.6 | R355 Q357 Y380 A384 | R355-D382 IonicContact CZ-OD1 3.68Å; R355-D382 IonicContact CZ-OD2 3.51Å; R355-D382 IonicContact NH1-OD1 3.85Å; R355-D382 PolarHBondContact NH1-OD1 2.86Å; R355-D382 IonicContact NH1-OD2 3.89Å; R355-D382 PolarHBondContact NH1-OD2 2.99Å; R355-D382 VanDerWaalsContact NH1-OD2 3.14Å; R355-D382 IonicContact NH2-OD2 2.6Å; R355-D382 PolarHBondContact NH2-OD2 3.19Å; Q357-D382 HydrophobicContact CG-CB 4.49Å; Y380-D382 VanDerWaalsContact CB-OD1 3.24Å; Y380-D382 WeakPolarHBondContact CB-OD1 3.14Å; Y380-D382 PolarHBondContact O-N 2.87Å; D382-A384 VanDerWaalsContact OD1-CB 3.3Å; D382-A384 WeakPolarHBondContact OD1-CB 3.43Å; D382-A384 PolarHBondContact OD1-N 3.43Å; D382-A384 VanDerWaalsContact OD1-N 3.09Å |
| 383 | G | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 82.7 | 16 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y380 G381 G420 I422 | Y380-G383 PolarHBondContact O-N 3.35Å; Y380-G383 VanDerWaalsContact O-N 3.09Å; G381-G383 PolarHBondContact O-N 3.27Å; G383-G420 WeakPolarHBondContact CA-O 3.4Å; G383-I422 WeakPolarHBondContact O-CD1 3.3Å |
| 384 | A | 95.5 | Very high | 88 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -101.7 | 161.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y380 D382 P410 N411 T412 | Y380-A384 PolarHBondContact N-O 3.24Å; D382-A384 VanDerWaalsContact OD1-CB 3.3Å; D382-A384 WeakPolarHBondContact OD1-CB 3.43Å; D382-A384 PolarHBondContact OD1-N 3.43Å; D382-A384 VanDerWaalsContact OD1-N 3.09Å; A384-P410 HydrophobicContact CB-CB 4.07Å; A384-N411 CarbonylContact C-O 3.52Å; A384-N411 WeakPolarHBondContact CA-O 3.48Å; A384-N411 WeakPolarHBondContact CB-O 3.35Å; A384-T412 HydrophobicContact CB-CG2 3.58Å | ||
| 385 | F | 96 | Very high | 86.2 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156 | 165.5 | 72.5 | -88 | 0 | 0 | 0 | 111.4 | V377 V378 A379 N411 P413 I422 I425 T437 | V377-F385 HydrophobicContact CG2-CB 4.41Å; V377-F385 HydrophobicContact CG2-CD2 3.87Å; V378-F385 CarbonylContact O-C 3.6Å; V378-F385 WeakPolarHBondContact O-CA 3.43Å; V378-F385 WeakPolarHBondContact O-CB 3.3Å; A379-F385 HydrophobicContact CB-CB 4.38Å; F385-N411 HydrophobicContact CD1-CB 4.28Å; F385-N411 HydrophobicContact CE1-CB 3.99Å; F385-N411 HydrophobicContact CE2-CB 4.27Å; F385-N411 HydrophobicContact CZ-CB 3.99Å; F385-N411 VanDerWaalsContact CZ-ND2 3.3Å; F385-N411 WeakPolarHBondContact CZ-ND2 3.39Å; F385-N411 PolarHBondContact N-O 3.31Å; F385-N411 PolarHBondContact O-N 3.04Å; F385-P413 HydrophobicContact CD1-CG 4.36Å; F385-P413 HydrophobicContact CE1-CB 4.44Å; F385-P413 HydrophobicContact CE1-CG 4.14Å; F385-I422 HydrophobicContact CB-CD1 4.43Å; F385-I422 HydrophobicContact CD1-CD1 4.05Å; F385-I425 HydrophobicContact CB-CD1 3.74Å; F385-I425 HydrophobicContact CD1-CD1 4.01Å; F385-I425 HydrophobicContact CD2-CD1 3.8Å; F385-I425 HydrophobicContact CE2-CD1 4.36Å; F385-I425 HydrophobicContact CG-CD1 3.58Å; F385-T437 HydrophobicContact CE2-CG2 4.41Å; F385-T437 HydrophobicContact CZ-CG2 4.15Å |
| 386 | Q | 95 | Very high | 84.3 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 142.6 | -176.2 | -162.4 | 171.5 | 13.6 | 0 | 0 | 110.2 | V378 Y380 D408 P410 | V378-Q386 PolarHBondContact N-O 3.3Å; V378-Q386 PolarHBondContact O-N 3.47Å; Y380-Q386 HydrophobicContact CE2-CB 3.97Å; Q386-D408 PolarHBondContact NE2-O 2.97Å; Q386-P410 HydrophobicContact CB-CB 4.32Å; Q386-P410 HydrophobicContact CG-CB 4.44Å |
| 387 | V | 94 | Very high | 82 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.8 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | E375 V376 | E375-V387 HydrophobicContact CB-CG1 4.14Å; E375-V387 HydrophobicContact CG-CG1 4.44Å; V376-V387 CarbonylContact O-C 3.58Å; V376-V387 WeakPolarHBondContact O-CA 3.21Å |
| 388 | W | 93.6 | Very high | 79.9 | Confident | 3 Ų | 3 | 49.3 Ų | 49.3 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.6 | -174.9 | -64.1 | 83 | 0 | 0 | 0 | 110.1 | L353 L354 E375 V376 Y380 V404 M406 | L353-W388 HydrophobicContact CB-CD2 4.07Å; L353-W388 HydrophobicContact CB-CE3 4.12Å; L353-W388 HydrophobicContact CB-CG 4.46Å; L353-W388 HydrophobicContact CB-CZ3 4.44Å; L353-W388 HydrophobicContact CD1-CB 3.7Å; L353-W388 HydrophobicContact CD1-CD2 4.29Å; L353-W388 HydrophobicContact CD1-CG 3.81Å; L353-W388 HydrophobicContact CD2-CB 3.96Å; L353-W388 HydrophobicContact CD2-CD2 4.17Å; L353-W388 HydrophobicContact CD2-CE3 3.89Å; L353-W388 HydrophobicContact CD2-CG 4.24Å; L353-W388 HydrophobicContact CG-CB 4.4Å; L353-W388 HydrophobicContact CG-CD2 4.4Å; L353-W388 HydrophobicContact CG-CE3 4.48Å; L353-W388 HydrophobicContact CG-CG 4.39Å; L354-W388 WeakPolarHBondContact O-CH2 3.32Å; E375-W388 WeakPolarHBondContact CA-O 3.21Å; V376-W388 PolarHBondContact N-O 2.88Å; V376-W388 PolarHBondContact O-N 2.86Å; Y380-W388 PolarHBondContact OH-NE1 3.36Å; Y380-W388 VanDerWaalsContact OH-NE1 3.14Å; W388-V404 HydrophobicContact CE3-CB 4.33Å; W388-V404 HydrophobicContact CE3-CG1 4.07Å; W388-M406 HydrophobicContact CH2-CG 3.48Å; W388-M406 VanDerWaalsContact CH2-CG 3.48Å; W388-M406 HydrophobicContact CZ2-CG 4.25Å; W388-M406 HydrophobicContact CZ3-CG 3.89Å |
| 389 | P | 91.1 | Very high | 78.1 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 26% | 0.26 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 133.6 | 177.5 | 31.2 | -33.3 | 0 | 0 | 0 | 111.5 | I407 | P389-I407 HydrophobicContact CG-CD1 3.69Å |
| 390 | I | 89.2 | Confident | 77.1 | Confident | 10 Ų | 10 | 63 Ų | 63 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | trans | -102.3 | 106.3 | 176.5 | -51.9 | -50.6 | 0 | 0 | 0 | 108.1 | V226 L353 W364 T374 V376 | V226-I390 HydrophobicContact CG1-CG2 4.38Å; V226-I390 HydrophobicContact CG2-CD1 3.77Å; V226-I390 HydrophobicContact CG2-CG1 4.29Å; L353-I390 HydrophobicContact CD1-CD1 4.41Å; L353-I390 HydrophobicContact CD2-CD1 4.01Å; W364-I390 HydrophobicContact CH2-CG1 4.36Å; W364-I390 HydrophobicContact CZ3-CG1 4.04Å; T374-I390 PolarHBondContact O-N 3.33Å; V376-I390 HydrophobicContact CG2-CD1 4.07Å; V376-I390 HydrophobicContact CG2-CG1 3.78Å | ||
| 391 | V | 77.3 | Confident | 76.4 | Confident | 101 Ų | 101 | 63.6 Ų | 63.6 | 61% | 0.612 | 37% | 0.37 | S | S | * | . | trans | -79.5 | 134.2 | -177.2 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | H351 A393 | H351-V391 PolarHBondContact CE1-O 2.9Å; H351-V391 PolarHBondContact NE2-O 3.18Å; H351-V391 VanDerWaalsContact NE2-O 3.09Å; V391-A393 PolarHBondContact O-N 2.9Å | ||
| 392 | A | 65.4 | Low | 76 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 63% | 0.628 | 38% | 0.381 | S | S | * | . | trans | -60.2 | 123.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V394 | A392-V394 VanDerWaalsContact O-CG2 3.25Å; A392-V394 WeakPolarHBondContact O-CG2 3.46Å; A392-V394 PolarHBondContact O-N 3.01Å; A392-V394 VanDerWaalsContact O-N 3.16Å | ||
| 393 | A | 57 | Low | 75.7 | Confident | 53 Ų | 53 | 67.2 Ų | 67.2 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | trans | -74 | 104.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V391 S395 | V391-A393 PolarHBondContact O-N 2.9Å; A393-S395 VanDerWaalsContact C-N 3.35Å; A393-S395 PolarHBondContact O-N 3.12Å; A393-S395 VanDerWaalsContact O-N 3.07Å | ||
| 394 | V | 46.9 | Very low | 75.3 | Confident | 147 Ų | 147 | 68.2 Ų | 68.2 | 89% | 0.891 | 39% | 0.389 | S | S | * | . | trans | -87 | 57.7 | -171.7 | -161.9 | 0 | 0 | 0 | 0 | 113 | A392 | A392-V394 VanDerWaalsContact O-CG2 3.25Å; A392-V394 WeakPolarHBondContact O-CG2 3.46Å; A392-V394 PolarHBondContact O-N 3.01Å; A392-V394 VanDerWaalsContact O-N 3.16Å | ||
| 395 | S | 51.3 | Low | 74.4 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | trans | -167.4 | 147.6 | 166.5 | -156.2 | 0 | 0 | 0 | 0 | 114.9 | A393 Q397 | A393-S395 VanDerWaalsContact C-N 3.35Å; A393-S395 PolarHBondContact O-N 3.12Å; A393-S395 VanDerWaalsContact O-N 3.07Å; S395-Q397 VanDerWaalsContact C-N 3.3Å; S395-Q397 PolarHBondContact OG-N 3.37Å | ||
| 396 | D | 51.6 | Low | 73.2 | Confident | 169 Ų | 169 | 77.8 Ų | 77.8 | 90% | 0.904 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -81.4 | -0.8 | 168 | -68.5 | -48.4 | 0 | 0 | 0 | 113.8 | ||
| 397 | Q | 46.4 | Very low | 71.9 | Confident | 129 Ų | 129 | 83.1 Ų | 83.1 | 60% | 0.603 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -84.8 | 152.3 | 179.1 | -73.2 | -167 | -8.3 | 0 | 0 | 113.2 | S395 F399 | S395-Q397 VanDerWaalsContact C-N 3.3Å; S395-Q397 PolarHBondContact OG-N 3.37Å; Q397-F399 HydrophobicContact CB-CD2 4.13Å; Q397-F399 HydrophobicContact CB-CE2 3.89Å; Q397-F399 PolarHBondContact O-N 3.41Å |
| 398 | P | 51.4 | Low | 71.2 | Confident | 122 Ų | 122 | 86.3 Ų | 86.3 | 79% | 0.792 | 49% | 0.489 | S | S | * | . | trans | -74.3 | 91.6 | 175.8 | 31.2 | -34.4 | 0 | 0 | 0 | 110.4 | ||||
| 399 | F | 60.1 | Low | 71 | Confident | 149 Ų | 149 | 91.2 Ų | 91.2 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -88.3 | 151.3 | 171.3 | -82.8 | -85.7 | 0 | 0 | 0 | 111.9 | Q397 | Q397-F399 HydrophobicContact CB-CD2 4.13Å; Q397-F399 HydrophobicContact CB-CE2 3.89Å; Q397-F399 PolarHBondContact O-N 3.41Å |
| 400 | E | 75.6 | Confident | 71 | Confident | 139 Ų | 139 | 91.5 Ų | 91.5 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 147.9 | 162.5 | -63.7 | 173.2 | 179.7 | 0 | 0 | 110 | ||
| 401 | P | 83.3 | Confident | 71.2 | Confident | 15 Ų | 15 | 94.7 Ų | 94.7 | 10% | 0.097 | 54% | 0.54 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 139.3 | -175.5 | 29.5 | -35.6 | 0 | 0 | 0 | 111.8 | S188 V189 I349 L352 I403 | S188-P401 VanDerWaalsContact O-CD 3.24Å; S188-P401 WeakPolarHBondContact O-CD 3.32Å; V189-P401 HydrophobicContact CG2-CG 3.93Å; I349-P401 HydrophobicContact CB-CB 4.4Å; I349-P401 HydrophobicContact CG2-CB 3.8Å; I349-P401 HydrophobicContact CG2-CG 4.45Å; L352-P401 HydrophobicContact CD1-CB 4.2Å; L352-P401 HydrophobicContact CD1-CG 3.79Å; L352-P401 HydrophobicContact CG-CB 4.23Å; L352-P401 HydrophobicContact CG-CG 4.36Å; P401-I403 PolarHBondContact O-N 3.15Å; P401-I403 VanDerWaalsContact O-N 3.09Å |
| 402 | I | 87.2 | Confident | 72 | Confident | 85 Ų | 85 | 93 Ų | 93 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 105.1 | -178.5 | -59.9 | 174.7 | 0 | 0 | 0 | 109 | S350 H351 L352 V404 | S350-I402 PolarHBondContact O-N 2.88Å; H351-I402 CarbonylContact C-O 3.47Å; H351-I402 VanDerWaalsContact CA-O 3.23Å; H351-I402 WeakPolarHBondContact CA-O 3.04Å; L352-I402 PolarHBondContact N-O 2.95Å; I402-V404 HydrophobicContact CG2-CG2 4.46Å; I402-V404 PolarHBondContact O-N 3.18Å |
| 403 | I | 87 | Confident | 73.3 | Confident | 53 Ų | 53 | 90 Ų | 90 | 27% | 0.272 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 109 | 168.1 | -57.4 | 175.7 | 0 | 0 | 0 | 107.5 | V189 K193 L352 L354 P401 | V189-I403 HydrophobicContact CG1-CD1 4.38Å; K193-I403 HydrophobicContact CD-CD1 3.45Å; K193-I403 VanDerWaalsContact CD-CD1 3.45Å; L352-I403 HydrophobicContact CB-CG1 4.29Å; L352-I403 HydrophobicContact CD1-CG1 4.28Å; L352-I403 WeakPolarHBondContact O-CA 3.13Å; L354-I403 HydrophobicContact CD1-CG2 3.91Å; L354-I403 HydrophobicContact CG-CG2 4.47Å; P401-I403 PolarHBondContact O-N 3.15Å; P401-I403 VanDerWaalsContact O-N 3.09Å |
| 404 | V | 86.8 | Confident | 75 | Confident | 20 Ų | 20 | 87.6 Ų | 87.6 | 12% | 0.121 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 129.5 | -173.6 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | H351 L352 L353 W388 I402 | H351-V404 HydrophobicContact CB-CG2 4.16Å; L352-V404 PolarHBondContact O-N 3.19Å; L353-V404 HydrophobicContact CD2-CB 3.67Å; L353-V404 HydrophobicContact CD2-CG1 4.25Å; L353-V404 HydrophobicContact CD2-CG2 3.56Å; W388-V404 HydrophobicContact CE3-CB 4.33Å; W388-V404 HydrophobicContact CE3-CG1 4.07Å; I402-V404 HydrophobicContact CG2-CG2 4.46Å; I402-V404 PolarHBondContact O-N 3.18Å |
| 405 | S | 76.1 | Confident | 77 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 64% | 0.643 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 133.4 | 172.3 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 406 | M | 70.8 | Confident | 78.8 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 60% | 0.601 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 139.5 | 168.8 | -65.2 | 178.8 | -73.1 | 0 | 0 | 111.3 | W388 | W388-M406 HydrophobicContact CH2-CG 3.48Å; W388-M406 VanDerWaalsContact CH2-CG 3.48Å; W388-M406 HydrophobicContact CZ2-CG 4.25Å; W388-M406 HydrophobicContact CZ3-CG 3.89Å |
| 407 | I | 68.8 | Low | 80.5 | Confident | 120 Ų | 120 | 81.7 Ų | 81.7 | 62% | 0.615 | 46% | 0.456 | S | S | * | . | trans | -107.8 | -60.9 | 173.8 | -56.9 | -170.5 | 0 | 0 | 0 | 109.7 | P389 | P389-I407 HydrophobicContact CG-CD1 3.69Š| ||
| 408 | D | 79.4 | Confident | 82.6 | Confident | 112 Ų | 112 | 78.9 Ų | 78.9 | 60% | 0.599 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -105 | 152.1 | -177.3 | -65.3 | -60.3 | 0 | 0 | 0 | 112 | Q386 | Q386-D408 PolarHBondContact NE2-O 2.97Š|
| 409 | P | 88.3 | Confident | 84.7 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 70% | 0.695 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -66 | 153 | 176.2 | 28.7 | -35.6 | 0 | 0 | 0 | 112 | ||
| 410 | P | 91.6 | Very high | 86.2 | Confident | 46 Ų | 46 | 67 Ų | 67 | 30% | 0.299 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 136.5 | 177 | 28.9 | -35.5 | 0 | 0 | 0 | 111.3 | A384 Q386 | A384-P410 HydrophobicContact CB-CB 4.07Å; Q386-P410 HydrophobicContact CB-CB 4.32Å; Q386-P410 HydrophobicContact CG-CB 4.44Å |
| 411 | N | 93.3 | Very high | 87.2 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 41% | 0.406 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -83.7 | 123.4 | 179.2 | -172.5 | -7.7 | 0 | 0 | 0 | 110.2 | A384 F385 P413 | A384-N411 CarbonylContact C-O 3.52Å; A384-N411 WeakPolarHBondContact CA-O 3.48Å; A384-N411 WeakPolarHBondContact CB-O 3.35Å; F385-N411 HydrophobicContact CD1-CB 4.28Å; F385-N411 HydrophobicContact CE1-CB 3.99Å; F385-N411 HydrophobicContact CE2-CB 4.27Å; F385-N411 HydrophobicContact CZ-CB 3.99Å; F385-N411 VanDerWaalsContact CZ-ND2 3.3Å; F385-N411 WeakPolarHBondContact CZ-ND2 3.39Å; F385-N411 PolarHBondContact N-O 3.31Å; F385-N411 PolarHBondContact O-N 3.04Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å |
| 412 | T | 93.7 | Very high | 87.8 | Confident | 65 Ų | 65 | 60.6 Ų | 60.6 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | trans | -108.6 | 90.4 | 173.9 | 36.8 | 0 | 0 | 0 | 0 | 108.7 | A384 Y414 G415 | A384-T412 HydrophobicContact CB-CG2 3.58Å; T412-Y414 PolarHBondContact O-N 2.87Å; T412-G415 PolarHBondContact O-N 3.32Å | ||
| 413 | P | 92.8 | Very high | 88.2 | Confident | 14 Ų | 14 | 62.9 Ų | 62.9 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.8 | -166.8 | 22.2 | -33.5 | 0 | 0 | 0 | 114.2 | F385 N411 I422 F439 W648 | F385-P413 HydrophobicContact CD1-CG 4.36Å; F385-P413 HydrophobicContact CE1-CB 4.44Å; F385-P413 HydrophobicContact CE1-CG 4.14Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å; P413-I422 HydrophobicContact CG-CD1 4.15Å; P413-F439 HydrophobicContact CB-CE1 4.29Å; P413-F439 HydrophobicContact CB-CZ 3.8Å; P413-F439 HydrophobicContact CG-CE1 4.17Å; P413-F439 HydrophobicContact CG-CE2 3.9Å; P413-F439 HydrophobicContact CG-CZ 3.51Å; P413-W648 WeakPolarHBondContact O-CZ2 3.32Å |
| 414 | Y | 92.8 | Very high | 88.7 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 22.6 | 175.3 | -55.1 | -52.3 | 0 | 0 | 0 | 113.5 | T412 F439 G442 L443 S455 H463 W648 P649 | T412-Y414 PolarHBondContact O-N 2.87Å; Y414-F439 HydrophobicContact CD2-CE2 4.47Å; Y414-F439 AromaticContact CE2-CE2 3.86Å; Y414-F439 HydrophobicContact CE2-CE2 3.86Å; Y414-F439 AromaticContact CE2-CZ 3.76Å; Y414-F439 HydrophobicContact CE2-CZ 3.76Å; Y414-G442 WeakPolarHBondContact CD2-O 3.3Å; Y414-L443 HydrophobicContact CD2-CD2 4.04Å; Y414-L443 HydrophobicContact CE2-CD2 3.87Å; Y414-S455 WeakPolarHBondContact OH-CB 3.45Å; Y414-S455 PolarHBondContact OH-OG 3.34Å; Y414-S455 VanDerWaalsContact OH-OG 3.05Å; Y414-H463 AromaticContact CD1-NE2 3.56Å; Y414-H463 AromaticContact CE1-NE2 2.8Å; Y414-H463 WeakPolarHBondContact CE1-NE2 3.03Å; Y414-H463 AromaticContact CZ-NE2 3.48Å; Y414-W648 AromaticContact CD1-CE2 3.84Å; Y414-W648 AromaticContact CD1-CZ2 3.93Å; Y414-W648 HydrophobicContact CD1-CZ2 3.93Å; Y414-W648 AromaticContact CD1-NE1 3.88Å; Y414-W648 HydrophobicContact CE1-CZ2 4.19Å; Y414-P649 HydrophobicContact CD1-CB 3.85Å; Y414-P649 HydrophobicContact CD1-CG 3.67Å; Y414-P649 HydrophobicContact CD2-CB 4.38Å; Y414-P649 HydrophobicContact CD2-CG 3.88Å; Y414-P649 HydrophobicContact CE1-CB 3.57Å; Y414-P649 HydrophobicContact CE1-CG 3.92Å; Y414-P649 HydrophobicContact CE2-CB 4.11Å; Y414-P649 HydrophobicContact CE2-CG 4.09Å; Y414-P649 HydrophobicContact CG-CB 4.26Å; Y414-P649 HydrophobicContact CG-CG 3.67Å |
| 415 | G | 88.6 | Confident | 89.2 | Confident | 23 Ų | 23 | 60.5 Ų | 60.5 | 24% | 0.237 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 170.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | T412 | T412-G415 PolarHBondContact O-N 3.32Š|
| 416 | P | 89.4 | Confident | 90.1 | Very high | 141 Ų | 141 | 57.6 Ų | 57.6 | 92% | 0.916 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.3 | 9.8 | 7.3 | 37.5 | -37.6 | 0 | 0 | 0 | 114.2 | ||
| 417 | L | 88 | Confident | 91.3 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 44% | 0.435 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -67.2 | 154 | 174.7 | -70.1 | 177 | 0 | 0 | 0 | 111.1 | C419 P444 | L417-C419 PolarHBondContact O-N 3.45Å; L417-P444 HydrophobicContact CB-CB 4.01Å; L417-P444 HydrophobicContact CB-CG 4.39Å; L417-P444 HydrophobicContact CD1-CB 4.02Å; L417-P444 HydrophobicContact CD1-CG 4.4Å |
| 418 | P | 91 | Very high | 92.3 | Very high | 71 Ų | 71 | 47.1 Ų | 47.1 | 46% | 0.461 | 28% | 0.28 | S | S | . | . | trans | -67.1 | 106.9 | 175.3 | 27.3 | -33.8 | 0 | 0 | 0 | 110.4 | R445 P446 | P418-R445 PolarHBondContact O-N 3.07Å; P418-P446 HydrophobicContact CG-CG 4.17Å | ||
| 419 | C | 93.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 26% | 0.255 | C | S | . | . | B | Isolated β-bridge | trans | -77.3 | 167.6 | 175.4 | -68 | 0 | 0 | 0 | 0 | 112.5 | L417 G442 L443 R445 | L417-C419 PolarHBondContact O-N 3.45Å; C419-G442 WeakPolarHBondContact CB-O 3.49Å; C419-G442 PolarHBondContact SG-O 3.37Å; C419-L443 CarbonylContact C-O 3.56Å; C419-L443 VanDerWaalsContact CA-O 3.26Å; C419-L443 WeakPolarHBondContact CA-O 3.4Å; C419-R445 PolarHBondContact O-NE 3.13Å; C419-R445 PolarHBondContact O-NH2 3.27Å; C419-R445 VanDerWaalsContact O-NH2 3.09Å |
| 420 | G | 93.4 | Very high | 92.8 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | trans | -98.7 | 166.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G383 G442 L443 | G383-G420 WeakPolarHBondContact CA-O 3.4Å; G420-G442 WeakPolarHBondContact O-CA 3.28Å; G420-G442 PolarHBondContact O-N 2.82Å; G420-L443 PolarHBondContact N-O 3.3Å | ||
| 421 | A | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 36.9 Ų | 36.9 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | trans | -42.7 | 141.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | E360 G381 K423 G442 | E360-A421 VanDerWaalsContact CD-CB 3.48Å; E360-A421 HydrophobicContact CG-CB 3.85Å; G381-A421 PolarHBondContact O-N 3.01Å; A421-K423 HydrophobicContact CB-CG 4.23Å; A421-G442 PolarHBondContact O-N 3.42Å | ||
| 422 | I | 97 | Very high | 92 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 102.4 | 160.8 | -68.2 | 174 | 0 | 0 | 0 | 107.8 | E360 A379 Y380 G383 F385 P413 I425 F439 C440 G442 | E360-I422 WeakPolarHBondContact CB-O 3.11Å; A379-I422 HydrophobicContact CB-CB 3.89Å; A379-I422 HydrophobicContact CB-CG2 3.6Å; A379-I422 WeakPolarHBondContact CB-O 3.43Å; Y380-I422 PolarHBondContact O-N 3.15Å; G383-I422 WeakPolarHBondContact O-CD1 3.3Å; F385-I422 HydrophobicContact CB-CD1 4.43Å; F385-I422 HydrophobicContact CD1-CD1 4.05Å; P413-I422 HydrophobicContact CG-CD1 4.15Å; I422-I425 HydrophobicContact CG2-CB 4.24Å; I422-F439 HydrophobicContact CD1-CD2 3.99Å; I422-F439 HydrophobicContact CD1-CE2 4.27Å; I422-F439 HydrophobicContact CG1-CD2 4Å; I422-F439 HydrophobicContact CG1-CE2 4.45Å; I422-F439 HydrophobicContact CG2-CB 3.75Å; I422-F439 HydrophobicContact CG2-CD2 4.17Å; I422-F439 HydrophobicContact CG2-CG 4.33Å; I422-C440 CarbonylContact C-O 3.57Å; I422-C440 WeakPolarHBondContact CA-O 3.36Å; I422-G442 VanDerWaalsContact CG1-CA 3.45Å |
| 423 | K | 95.4 | Very high | 91.4 | Very high | 134 Ų | 134 | 37.3 Ų | 37.3 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -22.5 | -166.7 | -63.8 | -178 | 178.7 | 178.8 | 0 | 114.9 | A421 C440 | A421-K423 HydrophobicContact CB-CG 4.23Å; K423-C440 PolarHBondContact N-O 3.3Å |
| 424 | K | 96.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 39 Ų | 39 | 10% | 0.1 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 138.8 | 175.1 | -174.3 | 175.9 | -165.3 | -175.1 | 0 | 108.3 | W361 F439 C440 D474 F475 | W361-K424 HydrophobicContact CD2-CB 4.22Å; W361-K424 HydrophobicContact CD2-CG 3.81Å; W361-K424 HydrophobicContact CE3-CB 4.3Å; W361-K424 HydrophobicContact CE3-CG 4.15Å; W361-K424 HydrophobicContact CG-CB 4.43Å; W361-K424 HydrophobicContact CG-CG 4.2Å; W361-K424 HydrophobicContact CH2-CD 4.44Å; W361-K424 HydrophobicContact CZ2-CD 4.35Å; W361-K424 HydrophobicContact CZ2-CG 4.19Å; W361-K424 HydrophobicContact CZ3-CG 4.48Å; K424-F439 CarbonylContact O-C 3.51Å; K424-F439 VanDerWaalsContact O-CA 3.23Å; K424-F439 WeakPolarHBondContact O-CA 3.22Å; K424-C440 PolarHBondContact O-N 3.18Å; K424-D474 WeakPolarHBondContact CD-OD1 3.44Å; K424-D474 WeakPolarHBondContact CE-OD1 3.33Å; K424-D474 IonicContact NZ-OD1 4Å; K424-D474 PolarHBondContact NZ-OD1 2.86Å; K424-D474 IonicContact NZ-OD2 3.14Å; K424-D474 PolarHBondContact NZ-OD2 3.35Å; K424-F475 HydrophobicContact CB-CE1 3.75Å; K424-F475 HydrophobicContact CB-CZ 4.17Å; K424-F475 HydrophobicContact CD-CD1 4.12Å; K424-F475 HydrophobicContact CD-CE1 3.85Å; K424-F475 HydrophobicContact CD-CZ 4.1Å; K424-F475 HydrophobicContact CG-CE1 3.83Å; K424-F475 HydrophobicContact CG-CZ 3.89Å; K424-F475 PolarHBondContact NZ-O 2.81Å |
| 425 | I | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 138.8 | 175.2 | -171.5 | 159.5 | 0 | 0 | 0 | 110.4 | W361 S363 V377 A379 F385 I422 T437 V438 F439 | W361-I425 HydrophobicContact CB-CG2 4.4Å; W361-I425 PolarHBondContact NE1-O 3.27Å; S363-I425 WeakPolarHBondContact CB-O 3.44Å; V377-I425 HydrophobicContact CG1-CG2 4.11Å; V377-I425 HydrophobicContact CG2-CD1 3.82Å; V377-I425 HydrophobicContact CG2-CG1 4.24Å; V377-I425 HydrophobicContact CG2-CG2 4.1Å; A379-I425 HydrophobicContact CB-CB 4.15Å; A379-I425 HydrophobicContact CB-CG2 3.55Å; F385-I425 HydrophobicContact CB-CD1 3.74Å; F385-I425 HydrophobicContact CD1-CD1 4.01Å; F385-I425 HydrophobicContact CD2-CD1 3.8Å; F385-I425 HydrophobicContact CE2-CD1 4.36Å; F385-I425 HydrophobicContact CG-CD1 3.58Å; I422-I425 HydrophobicContact CG2-CB 4.24Å; I425-T437 HydrophobicContact CD1-CG2 4.08Å; I425-T437 HydrophobicContact CG1-CG2 4.45Å; I425-V438 CarbonylContact C-O 3.54Å; I425-V438 WeakPolarHBondContact CA-O 3.37Å; I425-F439 HydrophobicContact CB-CB 4.16Å; I425-F439 HydrophobicContact CD1-CB 4.17Å; I425-F439 HydrophobicContact CG1-CB 4.01Å |
| 426 | L | 96 | Very high | 91.3 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 16% | 0.162 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 143 | 172.3 | -59.2 | 177.5 | 0 | 0 | 0 | 108.8 | V438 F475 L477 | L426-V438 PolarHBondContact N-O 3.13Å; L426-V438 PolarHBondContact O-N 2.74Å; L426-F475 HydrophobicContact CD1-CD2 4.24Å; L426-F475 HydrophobicContact CD1-CE2 3.74Å; L426-F475 HydrophobicContact CG-CE2 3.99Å; L426-F475 HydrophobicContact CG-CZ 4.49Å; L426-L477 HydrophobicContact CB-CD1 4.1Å; L426-L477 HydrophobicContact CD1-CD1 4.12Å; L426-L477 HydrophobicContact CD1-CG 4.28Å |
| 427 | I | 94.4 | Very high | 91.6 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.8 | 169.6 | -56.9 | -179.5 | 0 | 0 | 0 | 110.3 | R365 V366 V377 L435 L436 T437 | R365-I427 HydrophobicContact CG-CB 4.15Å; R365-I427 HydrophobicContact CG-CG2 3.88Å; V366-I427 PolarHBondContact N-O 2.95Å; V366-I427 VanDerWaalsContact N-O 3.1Å; V377-I427 HydrophobicContact CB-CD1 3.92Å; V377-I427 HydrophobicContact CB-CG1 4.44Å; V377-I427 HydrophobicContact CG1-CD1 4.15Å; V377-I427 HydrophobicContact CG1-CG1 4.11Å; V377-I427 HydrophobicContact CG2-CD1 3.84Å; I427-L435 HydrophobicContact CG2-CB 4.13Å; I427-L435 HydrophobicContact CG2-CD1 4.39Å; I427-L436 VanDerWaalsContact CA-O 3.29Å; I427-L436 WeakPolarHBondContact CA-O 3.44Å; I427-T437 HydrophobicContact CD1-CG2 4.1Å; I427-T437 HydrophobicContact CG1-CG2 3.95Å |
| 428 | S | 91.3 | Very high | 92.1 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 167.4 | -175.3 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | V366 L435 L436 L477 S503 | V366-S428 CarbonylContact O-C 3.57Å; S428-L435 CarbonylContact O-C 3.58Å; S428-L435 WeakPolarHBondContact O-CA 3.37Å; S428-L436 PolarHBondContact N-O 3.24Å; S428-L436 VanDerWaalsContact N-O 3.09Å; S428-L436 PolarHBondContact O-N 3.04Å; S428-L477 WeakPolarHBondContact OG-CD1 3.22Å; S428-S503 WeakPolarHBondContact CB-OG 3.27Å; S428-S503 WeakPolarHBondContact OG-CB 3.22Å; S428-S503 PolarHBondContact OG-OG 2.9Å |
| 429 | P | 89.6 | Confident | 92.4 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 7% | 0.071 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.6 | 174.4 | -17.2 | 33.4 | 0 | 0 | 0 | 111.9 | V366 V369 Y502 S503 | V366-P429 HydrophobicContact CG1-CG 4.09Å; V366-P429 VanDerWaalsContact O-CD 3.25Å; V366-P429 WeakPolarHBondContact O-CD 3.41Å; V366-P429 WeakPolarHBondContact O-CG 3.47Å; V369-P429 HydrophobicContact CG2-CG 4.39Å; P429-Y502 HydrophobicContact CB-CD1 3.98Å; P429-Y502 HydrophobicContact CB-CE1 4.2Å; P429-S503 PolarHBondContact O-N 3.5Å |
| 430 | S | 87.6 | Confident | 92.5 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | B | Isolated β-bridge | trans | -73.8 | 140.9 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 111.8 | N432 A433 G434 Q458 Y502 | S430-N432 PolarHBondContact O-N 2.64Å; S430-N432 PolarHBondContact OG-N 3.01Å; S430-N432 VanDerWaalsContact OG-N 3.13Å; S430-A433 WeakPolarHBondContact CB-O 3.16Å; S430-A433 PolarHBondContact O-N 3.35Å; S430-G434 PolarHBondContact N-O 2.92Å; S430-Q458 PolarHBondContact OG-NE2 2.71Å; S430-Y502 VanDerWaalsContact O-CD1 3.3Å; S430-Y502 WeakPolarHBondContact O-CD1 3.28Å |
| 431 | A | 83.6 | Confident | 92.4 | Very high | 37 Ų | 37 | 27 Ų | 27 | 31% | 0.306 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A433 S503 T520 | A431-A433 VanDerWaalsContact C-N 3.34Å; A431-S503 PolarHBondContact N-O 2.83Å; A431-T520 HydrophobicContact CB-CG2 4.2Å |
| 432 | N | 83.8 | Confident | 92.4 | Very high | 80 Ų | 80 | 26.1 Ų | 26.1 | 43% | 0.428 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 19.5 | 177.1 | -70 | -22.6 | 0 | 0 | 0 | 113.4 | S430 T520 | S430-N432 PolarHBondContact O-N 2.64Å; S430-N432 PolarHBondContact OG-N 3.01Å; S430-N432 VanDerWaalsContact OG-N 3.13Å; N432-T520 PolarHBondContact ND2-O 3.22Å; N432-T520 PolarHBondContact OD1-O 2.66Å |
| 433 | A | 82.1 | Confident | 92.2 | Very high | 70 Ų | 70 | 26.6 Ų | 26.6 | 58% | 0.579 | 17% | 0.168 | S | C | * | . | S | Bend | trans | 63.7 | 161.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S430 A431 Q458 | S430-A433 WeakPolarHBondContact CB-O 3.16Å; S430-A433 PolarHBondContact O-N 3.35Å; A431-A433 VanDerWaalsContact C-N 3.34Å; A433-Q458 PolarHBondContact O-NE2 2.89Å |
| 434 | G | 87.4 | Confident | 92.1 | Very high | 49 Ų | 49 | 20.3 Ų | 20.3 | 51% | 0.505 | 14% | 0.141 | S | C | . | . | S | Bend | trans | 79 | -166.2 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S430 | S430-G434 PolarHBondContact N-O 2.92Š|
| 435 | L | 91 | Very high | 91.5 | Very high | 38 Ų | 38 | 24.6 Ų | 24.6 | 20% | 0.199 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 128.5 | -172.7 | -54.5 | 179.4 | 0 | 0 | 0 | 110.7 | T367 I427 S428 Q458 | T367-L435 HydrophobicContact CG2-CD1 4.11Å; T367-L435 HydrophobicContact CG2-CD2 4.5Å; I427-L435 HydrophobicContact CG2-CB 4.13Å; I427-L435 HydrophobicContact CG2-CD1 4.39Å; S428-L435 CarbonylContact O-C 3.58Å; S428-L435 WeakPolarHBondContact O-CA 3.37Å; L435-Q458 WeakPolarHBondContact O-CA 3.48Å |
| 436 | L | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.3 | 169.8 | -71.3 | 158.1 | 0 | 0 | 0 | 108.8 | I427 S428 V438 V456 Q458 L519 W524 | I427-L436 VanDerWaalsContact CA-O 3.29Å; I427-L436 WeakPolarHBondContact CA-O 3.44Å; S428-L436 PolarHBondContact N-O 3.24Å; S428-L436 VanDerWaalsContact N-O 3.09Å; S428-L436 PolarHBondContact O-N 3.04Å; L436-V438 HydrophobicContact CB-CG2 4.46Å; L436-V456 HydrophobicContact CD2-CG1 3.84Å; L436-Q458 HydrophobicContact CD2-CB 4.2Å; L436-Q458 HydrophobicContact CD2-CG 4.47Å; L436-L519 HydrophobicContact CD1-CB 4.36Å; L436-L519 HydrophobicContact CD1-CD1 3.77Å; L436-L519 HydrophobicContact CD2-CD1 4.44Å; L436-W524 HydrophobicContact CD2-CZ2 4Å |
| 437 | T | 95.4 | Very high | 89.4 | Confident | 17 Ų | 17 | 33.4 Ų | 33.4 | 10% | 0.104 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 114.6 | 167.8 | -58 | 0 | 0 | 0 | 0 | 108 | F385 I425 I427 F439 L457 | F385-T437 HydrophobicContact CE2-CG2 4.41Å; F385-T437 HydrophobicContact CZ-CG2 4.15Å; I425-T437 HydrophobicContact CD1-CG2 4.08Å; I425-T437 HydrophobicContact CG1-CG2 4.45Å; I427-T437 HydrophobicContact CD1-CG2 4.1Å; I427-T437 HydrophobicContact CG1-CG2 3.95Å; T437-F439 HydrophobicContact CG2-CD1 4.4Å; T437-L457 PolarHBondContact N-O 2.93Å; T437-L457 PolarHBondContact O-N 3.28Å |
| 438 | V | 97.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 126.7 | -177.5 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | I425 L426 L436 V454 S455 V456 F475 L477 L506 | I425-V438 CarbonylContact C-O 3.54Å; I425-V438 WeakPolarHBondContact CA-O 3.37Å; L426-V438 PolarHBondContact N-O 3.13Å; L426-V438 PolarHBondContact O-N 2.74Å; L436-V438 HydrophobicContact CB-CG2 4.46Å; V438-V454 HydrophobicContact CG1-CG1 3.66Å; V438-S455 CarbonylContact C-O 3.09Å; V438-S455 VanDerWaalsContact CA-O 3.28Å; V438-S455 WeakPolarHBondContact CA-O 3.25Å; V438-V456 HydrophobicContact CG1-CG2 4.21Å; V438-V456 HydrophobicContact CG2-CG1 4.15Å; V438-V456 HydrophobicContact CG2-CG2 4.12Å; V438-F475 HydrophobicContact CB-CE2 4.05Å; V438-F475 HydrophobicContact CG1-CD2 4Å; V438-F475 HydrophobicContact CG1-CE2 3.52Å; V438-F475 HydrophobicContact CG1-CZ 4.01Å; V438-L477 HydrophobicContact CG2-CD1 4.35Å; V438-L477 HydrophobicContact CG2-CD2 4.18Å; V438-L506 HydrophobicContact CG1-CD1 3.98Å; V438-L506 HydrophobicContact CG1-CD2 3.84Å |
| 439 | F | 97.4 | Very high | 88 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 143.5 | -174.7 | 69 | -91.4 | 0 | 0 | 0 | 114.6 | P413 Y414 I422 K424 I425 T437 V454 S455 | P413-F439 HydrophobicContact CB-CE1 4.29Å; P413-F439 HydrophobicContact CB-CZ 3.8Å; P413-F439 HydrophobicContact CG-CE1 4.17Å; P413-F439 HydrophobicContact CG-CE2 3.9Å; P413-F439 HydrophobicContact CG-CZ 3.51Å; Y414-F439 HydrophobicContact CD2-CE2 4.47Å; Y414-F439 AromaticContact CE2-CE2 3.86Å; Y414-F439 HydrophobicContact CE2-CE2 3.86Å; Y414-F439 AromaticContact CE2-CZ 3.76Å; Y414-F439 HydrophobicContact CE2-CZ 3.76Å; I422-F439 HydrophobicContact CD1-CD2 3.99Å; I422-F439 HydrophobicContact CD1-CE2 4.27Å; I422-F439 HydrophobicContact CG1-CD2 4Å; I422-F439 HydrophobicContact CG1-CE2 4.45Å; I422-F439 HydrophobicContact CG2-CB 3.75Å; I422-F439 HydrophobicContact CG2-CD2 4.17Å; I422-F439 HydrophobicContact CG2-CG 4.33Å; K424-F439 CarbonylContact O-C 3.51Å; K424-F439 VanDerWaalsContact O-CA 3.23Å; K424-F439 WeakPolarHBondContact O-CA 3.22Å; I425-F439 HydrophobicContact CB-CB 4.16Å; I425-F439 HydrophobicContact CD1-CB 4.17Å; I425-F439 HydrophobicContact CG1-CB 4.01Å; T437-F439 HydrophobicContact CG2-CD1 4.4Å; F439-V454 CarbonylContact O-C 3.53Å; F439-V454 WeakPolarHBondContact O-CA 3.46Å; F439-S455 PolarHBondContact N-O 3.38Å; F439-S455 PolarHBondContact O-N 2.04Å |
| 440 | C | 96.1 | Very high | 87.5 | Confident | 19 Ų | 19 | 46 Ų | 46 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.5 | 176 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | I422 K423 K424 V454 F475 | I422-C440 CarbonylContact C-O 3.57Å; I422-C440 WeakPolarHBondContact CA-O 3.36Å; K423-C440 PolarHBondContact N-O 3.3Å; K424-C440 PolarHBondContact O-N 3.18Å; C440-V454 HydrophobicContact CB-CG2 4.29Å; C440-F475 HydrophobicContact CB-CD1 4.14Å; C440-F475 HydrophobicContact CB-CE1 3.7Å |
| 441 | G | 92.4 | Very high | 87.5 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.2 | -142.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L443 A453 | G441-L443 PolarHBondContact O-N 2.99Å; G441-A453 PolarHBondContact N-O 2.81Å |
| 442 | G | 93.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | 74.8 | 3.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y414 C419 G420 A421 I422 | Y414-G442 WeakPolarHBondContact CD2-O 3.3Å; C419-G442 WeakPolarHBondContact CB-O 3.49Å; C419-G442 PolarHBondContact SG-O 3.37Å; G420-G442 WeakPolarHBondContact O-CA 3.28Å; G420-G442 PolarHBondContact O-N 2.82Å; A421-G442 PolarHBondContact O-N 3.42Å; I422-G442 VanDerWaalsContact CG1-CA 3.45Å | ||
| 443 | L | 94.1 | Very high | 88.5 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | trans | -76.5 | 149.4 | -172.2 | -51.8 | -179.2 | 0 | 0 | 0 | 112.9 | Y414 C419 G420 G441 R445 F448 R451 A453 P649 F651 | Y414-L443 HydrophobicContact CD2-CD2 4.04Å; Y414-L443 HydrophobicContact CE2-CD2 3.87Å; C419-L443 CarbonylContact C-O 3.56Å; C419-L443 VanDerWaalsContact CA-O 3.26Å; C419-L443 WeakPolarHBondContact CA-O 3.4Å; G420-L443 PolarHBondContact N-O 3.3Å; G441-L443 PolarHBondContact O-N 2.99Å; L443-R445 PolarHBondContact O-N 2.92Å; L443-F448 HydrophobicContact CB-CB 3.98Å; L443-F448 HydrophobicContact CD1-CB 4.06Å; L443-R451 HydrophobicContact CD1-CB 3.94Å; L443-R451 WeakPolarHBondContact CD1-O 3.15Å; L443-A453 HydrophobicContact CD1-CB 4.03Å; L443-A453 HydrophobicContact CD2-CB 4.41Å; L443-P649 HydrophobicContact CD2-CG 4.09Å; L443-F651 HydrophobicContact CD1-CE1 4.2Å; L443-F651 HydrophobicContact CD1-CZ 4.21Å; L443-F651 HydrophobicContact CD2-CE1 4.14Å; L443-F651 HydrophobicContact CD2-CZ 4.16Å | ||
| 444 | P | 92.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -57.5 | 116.2 | 171.4 | -27.1 | 35.4 | 0 | 0 | 0 | 113 | L417 Q447 F448 | L417-P444 HydrophobicContact CB-CB 4.01Å; L417-P444 HydrophobicContact CB-CG 4.39Å; L417-P444 HydrophobicContact CD1-CB 4.02Å; L417-P444 HydrophobicContact CD1-CG 4.4Å; P444-Q447 PolarHBondContact O-N 2.76Å; P444-F448 HydrophobicContact CB-CD2 4.18Å; P444-F448 HydrophobicContact CG-CD2 4.27Å; P444-F448 PolarHBondContact O-N 3.23Å |
| 445 | R | 84.2 | Confident | 89.7 | Confident | 112 Ų | 112 | 44.3 Ų | 44.3 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.5 | -48 | -176 | -83.9 | -177.7 | -81.1 | 163.7 | -9.2 | 114.4 | P418 C419 L443 Q447 E449 | P418-R445 PolarHBondContact O-N 3.07Å; C419-R445 PolarHBondContact O-NE 3.13Å; C419-R445 PolarHBondContact O-NH2 3.27Å; C419-R445 VanDerWaalsContact O-NH2 3.09Å; L443-R445 PolarHBondContact O-N 2.92Å; R445-Q447 PolarHBondContact O-N 2.93Å; R445-E449 HydrophobicContact CB-CB 4.48Å; R445-E449 WeakPolarHBondContact CD-OE1 3.46Å; R445-E449 HydrophobicContact CG-CB 4.36Å; R445-E449 HydrophobicContact CG-CG 4.22Å; R445-E449 WeakPolarHBondContact CG-OE1 3.39Å; R445-E449 WeakPolarHBondContact O-CB 3.45Å; R445-E449 PolarHBondContact O-N 2.74Å |
| 446 | P | 74.5 | Confident | 89.9 | Confident | 97 Ų | 97 | 42.5 Ų | 42.5 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.7 | -4.5 | -173.5 | -23.5 | 34.9 | 0 | 0 | 0 | 116.2 | P418 | P418-P446 HydrophobicContact CG-CG 4.17Å |
| 447 | Q | 75.2 | Confident | 89.9 | Confident | 120 Ų | 120 | 44 Ų | 44 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -133 | -31.2 | -174.6 | -67.8 | 173.5 | -19.4 | 0 | 0 | 113 | P444 R445 | P444-Q447 PolarHBondContact O-N 2.76Å; R445-Q447 PolarHBondContact O-N 2.93Å |
| 448 | F | 83.4 | Confident | 89.7 | Confident | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -137.3 | 11.4 | -164.6 | -51.2 | -62 | 0 | 0 | 0 | 115.2 | L443 P444 N450 R451 F651 | L443-F448 HydrophobicContact CB-CB 3.98Å; L443-F448 HydrophobicContact CD1-CB 4.06Å; P444-F448 HydrophobicContact CB-CD2 4.18Å; P444-F448 HydrophobicContact CG-CD2 4.27Å; P444-F448 PolarHBondContact O-N 3.23Å; F448-N450 PolarHBondContact O-N 2.9Å; F448-N450 VanDerWaalsContact O-N 3.11Å; F448-R451 HydrophobicContact CB-CG 4.49Å; F448-R451 PolarHBondContact O-N 3.44Å; F448-F651 HydrophobicContact CB-CZ 4.18Å; F448-F651 AromaticContact CD1-CE2 3.57Å; F448-F651 HydrophobicContact CD1-CE2 3.57Å; F448-F651 AromaticContact CD1-CZ 3.85Å; F448-F651 HydrophobicContact CD1-CZ 3.85Å; F448-F651 HydrophobicContact CD2-CE2 4.13Å; F448-F651 HydrophobicContact CD2-CZ 4.25Å; F448-F651 HydrophobicContact CE1-CD2 4.39Å; F448-F651 AromaticContact CE1-CE2 3.56Å; F448-F651 HydrophobicContact CE1-CE2 3.56Å; F448-F651 HydrophobicContact CE1-CZ 4.31Å; F448-F651 HydrophobicContact CE2-CE2 4.11Å; F448-F651 AromaticContact CG-CE2 3.87Å; F448-F651 HydrophobicContact CG-CE2 3.87Å; F448-F651 AromaticContact CG-CZ 3.82Å; F448-F651 HydrophobicContact CG-CZ 3.82Å; F448-F651 AromaticContact CZ-CE2 3.83Å; F448-F651 HydrophobicContact CZ-CE2 3.83Å |
| 449 | E | 74.3 | Confident | 89 | Confident | 128 Ų | 128 | 48.3 Ų | 48.3 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -34.2 | -178.3 | -172.5 | 153.9 | -138 | 0 | 0 | 113.9 | R445 | R445-E449 HydrophobicContact CB-CB 4.48Å; R445-E449 WeakPolarHBondContact CD-OE1 3.46Å; R445-E449 HydrophobicContact CG-CB 4.36Å; R445-E449 HydrophobicContact CG-CG 4.22Å; R445-E449 WeakPolarHBondContact CG-OE1 3.39Å; R445-E449 WeakPolarHBondContact O-CB 3.45Å; R445-E449 PolarHBondContact O-N 2.74Å |
| 450 | N | 79 | Confident | 88.1 | Confident | 146 Ų | 146 | 57.4 Ų | 57.4 | 78% | 0.781 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.4 | 178.4 | -66 | -16.3 | 0 | 0 | 0 | 114.5 | F448 | F448-N450 PolarHBondContact O-N 2.9Å; F448-N450 VanDerWaalsContact O-N 3.11Å |
| 451 | R | 87.5 | Confident | 87.3 | Confident | 96 Ų | 96 | 65 Ų | 65 | 36% | 0.362 | 31% | 0.312 | S | S | . | . | trans | -90.8 | 124.4 | 178 | -69.6 | -161.3 | -177.8 | -169.6 | 13.1 | 111.6 | L443 F448 A453 | L443-R451 HydrophobicContact CD1-CB 3.94Å; L443-R451 WeakPolarHBondContact CD1-O 3.15Å; F448-R451 HydrophobicContact CB-CG 4.49Å; F448-R451 PolarHBondContact O-N 3.44Å; R451-A453 PolarHBondContact O-N 2.91Å | ||
| 452 | Y | 92.4 | Very high | 87.1 | Confident | 104 Ų | 104 | 67.8 Ų | 67.8 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | trans | -78.3 | 114 | 171.3 | -46.2 | -55.9 | 0 | 0 | 0 | 109.1 | Q467 F468 S470 K471 | Y452-Q467 WeakPolarHBondContact O-CA 3.28Å; Y452-F468 PolarHBondContact O-N 3.37Å; Y452-S470 WeakPolarHBondContact CB-O 3.46Å; Y452-S470 WeakPolarHBondContact CD2-O 3.01Å; Y452-K471 HydrophobicContact CD1-CB 3.91Å; Y452-K471 HydrophobicContact CD1-CG 4.15Å; Y452-K471 HydrophobicContact CE1-CB 3.74Å; Y452-K471 HydrophobicContact CE1-CG 4.04Å; Y452-K471 HydrophobicContact CE2-CB 4.5Å; Y452-K471 HydrophobicContact CG-CB 4.35Å | ||
| 453 | A | 94.8 | Very high | 87 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 147.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G441 L443 R451 Y466 F651 | G441-A453 PolarHBondContact N-O 2.81Å; L443-A453 HydrophobicContact CD1-CB 4.03Å; L443-A453 HydrophobicContact CD2-CB 4.41Å; R451-A453 PolarHBondContact O-N 2.91Å; A453-Y466 CarbonylContact C-O 3.56Å; A453-Y466 WeakPolarHBondContact CA-O 3.41Å; A453-Y466 VanDerWaalsContact CB-O 3.31Å; A453-Y466 WeakPolarHBondContact CB-O 3.45Å; A453-F651 HydrophobicContact CB-CE1 4.35Å |
| 454 | V | 97.5 | Very high | 87 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 124.9 | 169.3 | -175.7 | 0 | 0 | 0 | 0 | 108 | V438 F439 C440 Y466 F468 V472 F475 L506 V508 | V438-V454 HydrophobicContact CG1-CG1 3.66Å; F439-V454 CarbonylContact O-C 3.53Å; F439-V454 WeakPolarHBondContact O-CA 3.46Å; C440-V454 HydrophobicContact CB-CG2 4.29Å; V454-Y466 PolarHBondContact N-O 3.13Å; V454-Y466 WeakPolarHBondContact O-CA 3.16Å; V454-Y466 VanDerWaalsContact O-CB 3.3Å; V454-Y466 WeakPolarHBondContact O-CB 3.41Å; V454-Y466 PolarHBondContact O-N 3.16Å; V454-F468 HydrophobicContact CB-CE2 3.95Å; V454-F468 HydrophobicContact CG2-CE2 3.83Å; V454-F468 HydrophobicContact CG2-CZ 4.49Å; V454-V472 HydrophobicContact CG2-CG1 4.07Å; V454-V472 HydrophobicContact CG2-CG2 3.96Å; V454-F475 HydrophobicContact CG1-CD1 4.18Å; V454-F475 HydrophobicContact CG1-CE1 4.29Å; V454-F475 HydrophobicContact CG1-CG 4.37Å; V454-F475 HydrophobicContact CG2-CD1 4.28Å; V454-L506 HydrophobicContact CG1-CD2 4.09Å; V454-V508 HydrophobicContact CB-CG2 4.48Å; V454-V508 HydrophobicContact CG2-CG1 3.96Å; V454-V508 HydrophobicContact CG2-CG2 4.19Å |
| 455 | S | 97 | Very high | 87.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 138.7 | -176 | -47.4 | 0 | 0 | 0 | 0 | 110.3 | Y414 V438 F439 V464 C465 | Y414-S455 WeakPolarHBondContact OH-CB 3.45Å; Y414-S455 PolarHBondContact OH-OG 3.34Å; Y414-S455 VanDerWaalsContact OH-OG 3.05Å; V438-S455 CarbonylContact C-O 3.09Å; V438-S455 VanDerWaalsContact CA-O 3.28Å; V438-S455 WeakPolarHBondContact CA-O 3.25Å; F439-S455 PolarHBondContact N-O 3.38Å; F439-S455 PolarHBondContact O-N 2.04Å; S455-V464 CarbonylContact C-O 3.56Å; S455-V464 WeakPolarHBondContact CA-O 3.37Å; S455-C465 PolarHBondContact OG-SG 3.14Å; S455-C465 VanDerWaalsContact OG-SG 3.32Å |
| 456 | V | 96.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.1 | 175.2 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | L436 V438 H463 V464 Y466 L506 L519 W524 | L436-V456 HydrophobicContact CD2-CG1 3.84Å; V438-V456 HydrophobicContact CG1-CG2 4.21Å; V438-V456 HydrophobicContact CG2-CG1 4.15Å; V438-V456 HydrophobicContact CG2-CG2 4.12Å; V456-H463 WeakPolarHBondContact O-CA 3.26Å; V456-H463 PolarHBondContact O-CD2 3.13Å; V456-V464 PolarHBondContact N-O 2.77Å; V456-V464 PolarHBondContact O-N 3.45Å; V456-Y466 HydrophobicContact CB-CE2 4.27Å; V456-Y466 HydrophobicContact CG2-CD2 3.98Å; V456-Y466 HydrophobicContact CG2-CE2 3.82Å; V456-L506 HydrophobicContact CG2-CD2 3.6Å; V456-L519 HydrophobicContact CG1-CD2 4.3Å; V456-W524 HydrophobicContact CB-CE3 4.08Å; V456-W524 HydrophobicContact CB-CH2 4.25Å; V456-W524 HydrophobicContact CB-CZ3 3.69Å; V456-W524 HydrophobicContact CG1-CD2 4.38Å; V456-W524 HydrophobicContact CG1-CE3 3.89Å; V456-W524 HydrophobicContact CG1-CH2 3.56Å; V456-W524 HydrophobicContact CG1-CZ2 4.05Å; V456-W524 HydrophobicContact CG1-CZ3 3.47Å; V456-W524 VanDerWaalsContact CG1-CZ3 3.47Å; V456-W524 WeakPolarHBondContact O-CZ3 3.35Å |
| 457 | L | 94.4 | Very high | 88.5 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.7 | -178 | 178 | 75.1 | 0 | 0 | 0 | 109.1 | T437 D459 H462 H463 | T437-L457 PolarHBondContact N-O 2.93Å; T437-L457 PolarHBondContact O-N 3.28Å; L457-D459 WeakPolarHBondContact CD1-O 3.32Å; L457-H462 WeakPolarHBondContact CA-O 3.48Å; L457-H463 HydrophobicContact CD1-CB 3.66Å |
| 458 | Q | 90.6 | Very high | 89.4 | Confident | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -112 | -38.1 | 175.7 | -172.6 | 176.9 | -5.2 | 0 | 0 | 112.1 | S430 A433 L435 L436 H462 W524 | S430-Q458 PolarHBondContact OG-NE2 2.71Å; A433-Q458 PolarHBondContact O-NE2 2.89Å; L435-Q458 WeakPolarHBondContact O-CA 3.48Å; L436-Q458 HydrophobicContact CD2-CB 4.2Å; L436-Q458 HydrophobicContact CD2-CG 4.47Å; Q458-H462 HydrophobicContact CB-CB 4.06Å; Q458-H462 PolarHBondContact N-O 2.89Å; Q458-W524 HydrophobicContact CB-CH2 4.05Å; Q458-W524 HydrophobicContact CB-CZ2 3.84Å |
| 459 | D | 83.6 | Confident | 89.6 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -153.3 | -159.7 | 173.2 | 59 | 46.6 | 0 | 0 | 0 | 110.1 | L457 E461 H462 | L457-D459 WeakPolarHBondContact CD1-O 3.32Å; D459-E461 PolarHBondContact OD1-N 3.39Å; D459-H462 VanDerWaalsContact CG-ND1 3.29Å; D459-H462 IonicContact OD1-CG 2.71Å; D459-H462 PolarHBondContact OD1-N 2.96Å; D459-H462 IonicContact OD1-ND1 3.63Å; D459-H462 PolarHBondContact OD1-ND1 3.45Å; D459-H462 IonicContact OD2-CE1 2.85Å; D459-H462 IonicContact OD2-CG 3.34Å; D459-H462 IonicContact OD2-ND1 3.57Å; D459-H462 PolarHBondContact OD2-ND1 3.16Å |
| 460 | H | 77 | Confident | 90.4 | Very high | 192 Ų | 192 | 49.5 Ų | 49.5 | 89% | 0.889 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -78.5 | -15.1 | -178.7 | -67 | -55.5 | 0 | 0 | 0 | 114.9 | ||
| 461 | E | 79 | Confident | 91.1 | Very high | 179 Ų | 179 | 47 Ų | 47 | 84% | 0.836 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -104.8 | -35.5 | 179.7 | -61.1 | -175.4 | 163.3 | 0 | 0 | 110.5 | D459 H463 | D459-E461 PolarHBondContact OD1-N 3.39Å; E461-H463 PolarHBondContact O-N 3.4Å |
| 462 | H | 88.3 | Confident | 91.5 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 34% | 0.343 | 21% | 0.206 | S | C | . | . | trans | -90.2 | 83.4 | 177.2 | -57.1 | 91.1 | 0 | 0 | 0 | 111.6 | L457 Q458 D459 W524 | L457-H462 WeakPolarHBondContact CA-O 3.48Å; Q458-H462 HydrophobicContact CB-CB 4.06Å; Q458-H462 PolarHBondContact N-O 2.89Å; D459-H462 VanDerWaalsContact CG-ND1 3.29Å; D459-H462 IonicContact OD1-CG 2.71Å; D459-H462 PolarHBondContact OD1-N 2.96Å; D459-H462 IonicContact OD1-ND1 3.63Å; D459-H462 PolarHBondContact OD1-ND1 3.45Å; D459-H462 IonicContact OD2-CE1 2.85Å; D459-H462 IonicContact OD2-CG 3.34Å; D459-H462 IonicContact OD2-ND1 3.57Å; D459-H462 PolarHBondContact OD2-ND1 3.16Å; H462-W524 HydrophobicContact CB-CH2 3.84Å; H462-W524 HydrophobicContact CB-CZ2 4.02Å; H462-W524 WeakPolarHBondContact O-CH2 3.47Å | ||
| 463 | H | 92.5 | Very high | 91.7 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 118.2 | 176.3 | -172.3 | -175.9 | 0 | 0 | 0 | 111.6 | Y414 V456 L457 E461 W648 P650 | Y414-H463 AromaticContact CD1-NE2 3.56Å; Y414-H463 AromaticContact CE1-NE2 2.8Å; Y414-H463 WeakPolarHBondContact CE1-NE2 3.03Å; Y414-H463 AromaticContact CZ-NE2 3.48Å; V456-H463 WeakPolarHBondContact O-CA 3.26Å; V456-H463 PolarHBondContact O-CD2 3.13Å; L457-H463 HydrophobicContact CD1-CB 3.66Å; E461-H463 PolarHBondContact O-N 3.4Å; H463-W648 AromaticContact CE1-CH2 2.72Å; H463-W648 WeakPolarHBondContact CE1-CH2 3.41Å; H463-W648 AromaticContact CE1-CZ2 3.86Å; H463-W648 AromaticContact CE1-CZ3 3.15Å; H463-W648 WeakPolarHBondContact CE1-CZ3 3.08Å; H463-W648 AromaticContact ND1-CH2 3.37Å; H463-W648 WeakPolarHBondContact ND1-CH2 3.31Å; H463-W648 AromaticContact ND1-CZ3 3.74Å; H463-W648 AromaticContact NE2-CH2 3.24Å; H463-W648 WeakPolarHBondContact NE2-CH2 3.48Å; H463-W648 AromaticContact NE2-CZ2 3.5Å; H463-P650 WeakPolarHBondContact O-CG 3.43Å |
| 464 | V | 93.9 | Very high | 91.7 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 16% | 0.158 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 132.6 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 110.2 | S455 V456 Y466 W524 R652 | S455-V464 CarbonylContact C-O 3.56Å; S455-V464 WeakPolarHBondContact CA-O 3.37Å; V456-V464 PolarHBondContact N-O 2.77Å; V456-V464 PolarHBondContact O-N 3.45Å; V464-Y466 HydrophobicContact CB-CD2 4.32Å; V464-Y466 HydrophobicContact CB-CE2 3.79Å; V464-Y466 HydrophobicContact CG1-CD1 4.13Å; V464-Y466 HydrophobicContact CG1-CD2 3.88Å; V464-Y466 HydrophobicContact CG1-CE1 3.9Å; V464-Y466 HydrophobicContact CG1-CE2 3.57Å; V464-Y466 HydrophobicContact CG1-CG 4.15Å; V464-W524 HydrophobicContact CB-CE3 4.1Å; V464-W524 HydrophobicContact CB-CZ3 4.18Å; V464-W524 HydrophobicContact CG2-CE3 3.7Å; V464-W524 HydrophobicContact CG2-CZ3 3.9Å; V464-R652 HydrophobicContact CG1-CB 3.73Å |
| 465 | C | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 95.2 | 171.4 | -164.1 | 0 | 0 | 0 | 0 | 108.9 | S455 Q467 P649 P650 F651 R652 | S455-C465 PolarHBondContact OG-SG 3.14Å; S455-C465 VanDerWaalsContact OG-SG 3.32Å; C465-Q467 PolarHBondContact O-N 3.24Å; C465-P649 HydrophobicContact CB-CB 4.05Å; C465-P650 HydrophobicContact CB-CG 4.39Å; C465-P650 WeakPolarHBondContact CB-O 3.36Å; C465-P650 PolarHBondContact N-O 3.28Å; C465-F651 HydrophobicContact CB-CD1 4.07Å; C465-F651 HydrophobicContact CB-CE1 4.42Å; C465-F651 CarbonylContact O-C 3.13Å; C465-F651 VanDerWaalsContact O-CA 3.3Å; C465-F651 WeakPolarHBondContact O-CA 3.44Å; C465-R652 PolarHBondContact O-N 2.92Å |
| 466 | Y | 95 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 121.7 | -178.6 | -69.8 | -82.7 | 0 | 0 | 0 | 110.5 | A453 V454 V456 V464 F468 I517 W524 R652 V654 | A453-Y466 CarbonylContact C-O 3.56Å; A453-Y466 WeakPolarHBondContact CA-O 3.41Å; A453-Y466 VanDerWaalsContact CB-O 3.31Å; A453-Y466 WeakPolarHBondContact CB-O 3.45Å; V454-Y466 PolarHBondContact N-O 3.13Å; V454-Y466 WeakPolarHBondContact O-CA 3.16Å; V454-Y466 VanDerWaalsContact O-CB 3.3Å; V454-Y466 WeakPolarHBondContact O-CB 3.41Å; V454-Y466 PolarHBondContact O-N 3.16Å; V456-Y466 HydrophobicContact CB-CE2 4.27Å; V456-Y466 HydrophobicContact CG2-CD2 3.98Å; V456-Y466 HydrophobicContact CG2-CE2 3.82Å; V464-Y466 HydrophobicContact CB-CD2 4.32Å; V464-Y466 HydrophobicContact CB-CE2 3.79Å; V464-Y466 HydrophobicContact CG1-CD1 4.13Å; V464-Y466 HydrophobicContact CG1-CD2 3.88Å; V464-Y466 HydrophobicContact CG1-CE1 3.9Å; V464-Y466 HydrophobicContact CG1-CE2 3.57Å; V464-Y466 HydrophobicContact CG1-CG 4.15Å; Y466-F468 VanDerWaalsContact O-CE2 3.26Å; Y466-F468 WeakPolarHBondContact O-CE2 3.42Å; Y466-I517 HydrophobicContact CD1-CD1 3.72Å; Y466-I517 HydrophobicContact CD1-CG1 4.49Å; Y466-I517 HydrophobicContact CD2-CD1 3.84Å; Y466-I517 HydrophobicContact CE1-CD1 3.83Å; Y466-I517 HydrophobicContact CE1-CG1 4.23Å; Y466-I517 HydrophobicContact CE1-CG2 4.27Å; Y466-I517 HydrophobicContact CE2-CD1 3.98Å; Y466-I517 HydrophobicContact CE2-CG2 4.29Å; Y466-I517 HydrophobicContact CG-CD1 3.7Å; Y466-W524 WeakPolarHBondContact OH-CB 3.49Å; Y466-W524 PolarHBondContact OH-O 2.92Å; Y466-R652 VanDerWaalsContact CA-O 3.31Å; Y466-R652 WeakPolarHBondContact CA-O 3.23Å; Y466-V654 HydrophobicContact CD1-CB 4.29Å; Y466-V654 HydrophobicContact CD1-CG1 3.61Å; Y466-V654 HydrophobicContact CD1-CG2 3.67Å; Y466-V654 HydrophobicContact CE1-CG1 3.96Å; Y466-V654 HydrophobicContact CG-CG2 4.25Å |
| 467 | Q | 92.9 | Very high | 91.5 | Very high | 33 Ų | 33 | 44.6 Ų | 44.6 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 138.3 | 177.5 | 176.6 | 178.2 | -13.6 | 0 | 0 | 110.7 | Y452 C465 F651 R652 P653 V654 | Y452-Q467 WeakPolarHBondContact O-CA 3.28Å; C465-Q467 PolarHBondContact O-N 3.24Å; Q467-F651 HydrophobicContact CB-CD1 4.23Å; Q467-R652 PolarHBondContact N-O 3.19Å; Q467-P653 HydrophobicContact CB-CB 4.08Å; Q467-P653 HydrophobicContact CG-CB 4.41Å; Q467-P653 CarbonylContact O-C 3.6Å; Q467-P653 VanDerWaalsContact O-CA 3.24Å; Q467-P653 WeakPolarHBondContact O-CA 3.05Å; Q467-V654 PolarHBondContact O-N 3.06Å |
| 468 | F | 92.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | trans | -116.3 | 153.2 | -178.1 | -59.9 | -87.1 | 0 | 0 | 0 | 111.4 | Y452 V454 Y466 V472 V508 T510 V515 V654 | Y452-F468 PolarHBondContact O-N 3.37Å; V454-F468 HydrophobicContact CB-CE2 3.95Å; V454-F468 HydrophobicContact CG2-CE2 3.83Å; V454-F468 HydrophobicContact CG2-CZ 4.49Å; Y466-F468 VanDerWaalsContact O-CE2 3.26Å; Y466-F468 WeakPolarHBondContact O-CE2 3.42Å; F468-V472 HydrophobicContact CD2-CG2 3.74Å; F468-V472 HydrophobicContact CE2-CG2 4.29Å; F468-V472 HydrophobicContact CG-CG2 4.2Å; F468-V508 HydrophobicContact CD1-CG1 4.42Å; F468-V508 HydrophobicContact CE1-CB 3.93Å; F468-V508 HydrophobicContact CE1-CG1 3.93Å; F468-V508 HydrophobicContact CE1-CG2 4.28Å; F468-V508 HydrophobicContact CE2-CG1 4.09Å; F468-V508 HydrophobicContact CE2-CG2 4.49Å; F468-V508 HydrophobicContact CZ-CB 3.86Å; F468-V508 HydrophobicContact CZ-CG1 3.77Å; F468-V508 HydrophobicContact CZ-CG2 3.75Å; F468-T510 HydrophobicContact CB-CG2 4.02Å; F468-T510 HydrophobicContact CD1-CG2 3.88Å; F468-T510 HydrophobicContact CG-CG2 4.06Å; F468-V515 HydrophobicContact CD1-CB 4.48Å; F468-V515 HydrophobicContact CD1-CG2 4.07Å; F468-V515 HydrophobicContact CE1-CB 3.89Å; F468-V515 HydrophobicContact CE1-CG1 4.1Å; F468-V515 HydrophobicContact CE1-CG2 3.98Å; F468-V654 HydrophobicContact CD1-CG2 4.11Å; F468-V654 HydrophobicContact CE1-CG2 3.57Å; F468-V654 HydrophobicContact CZ-CG2 3.85Å | ||
| 469 | G | 88.2 | Confident | 91.3 | Very high | 5 Ų | 5 | 42 Ų | 42 | 5% | 0.052 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -87.1 | -5.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q661 | G469-Q661 PolarHBondContact O-NE2 2.78Å; G469-Q661 PolarHBondContact O-OE1 3.12Å |
| 470 | S | 91.3 | Very high | 91 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -143.8 | 167.2 | 168.8 | 73.4 | 0 | 0 | 0 | 0 | 109.6 | Y452 V472 T510 R512 | Y452-S470 WeakPolarHBondContact CB-O 3.46Å; Y452-S470 WeakPolarHBondContact CD2-O 3.01Å; S470-V472 PolarHBondContact O-N 2.94Å; S470-T510 VanDerWaalsContact OG-CB 3.28Å; S470-T510 WeakPolarHBondContact OG-CB 3.41Å; S470-T510 PolarHBondContact OG-OG1 3.08Å; S470-T510 VanDerWaalsContact OG-OG1 3.07Å; S470-R512 PolarHBondContact OG-N 2.89Å |
| 471 | K | 93.5 | Very high | 90.8 | Very high | 95 Ų | 95 | 37.8 Ų | 37.8 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | trans | -61.6 | 132.2 | -172.7 | -177.3 | -154.6 | -179 | -175.9 | 0 | 111.3 | Y452 I473 T510 E511 | Y452-K471 HydrophobicContact CD1-CB 3.91Å; Y452-K471 HydrophobicContact CD1-CG 4.15Å; Y452-K471 HydrophobicContact CE1-CB 3.74Å; Y452-K471 HydrophobicContact CE1-CG 4.04Å; Y452-K471 HydrophobicContact CE2-CB 4.5Å; Y452-K471 HydrophobicContact CG-CB 4.35Å; K471-I473 HydrophobicContact CD-CD1 4.31Å; K471-I473 PolarHBondContact O-N 3.31Å; K471-T510 CarbonylContact O-C 3.56Å; K471-T510 WeakPolarHBondContact O-CA 3.35Å; K471-T510 WeakPolarHBondContact O-CB 3.34Å; K471-E511 HydrophobicContact CB-CG 4.09Å; K471-E511 WeakPolarHBondContact CB-OE2 2.97Å; K471-E511 HydrophobicContact CD-CG 4.25Å; K471-E511 WeakPolarHBondContact CD-OE1 3.37Å; K471-E511 IonicContact NZ-OE1 3.06Å; K471-E511 PolarHBondContact NZ-OE1 3.21Å; K471-E511 PolarHBondContact O-N 3.23Å | ||
| 472 | V | 96.2 | Very high | 90 | Very high | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 126.9 | 170.3 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | V454 F468 S470 V508 | V454-V472 HydrophobicContact CG2-CG1 4.07Å; V454-V472 HydrophobicContact CG2-CG2 3.96Å; F468-V472 HydrophobicContact CD2-CG2 3.74Å; F468-V472 HydrophobicContact CE2-CG2 4.29Å; F468-V472 HydrophobicContact CG-CG2 4.2Å; S470-V472 PolarHBondContact O-N 2.94Å; V472-V508 HydrophobicContact CB-CG1 4.45Å; V472-V508 HydrophobicContact CG1-CG1 3.78Å; V472-V508 HydrophobicContact CG2-CG1 3.95Å |
| 473 | I | 95.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 31.5 Ų | 31.5 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -53.6 | 175.5 | -67.1 | -60.6 | 0 | 0 | 0 | 109.6 | P51 K471 L509 E511 | P51-I473 HydrophobicContact CG-CG1 4.27Å; K471-I473 HydrophobicContact CD-CD1 4.31Å; K471-I473 PolarHBondContact O-N 3.31Å; I473-L509 PolarHBondContact N-O 3.48Å; I473-E511 HydrophobicContact CD1-CG 3.65Å; I473-E511 HydrophobicContact CG1-CG 3.89Å |
| 474 | D | 95.8 | Very high | 85.8 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 19% | 0.187 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 165 | 170.9 | -163.9 | 24.7 | 0 | 0 | 0 | 112.1 | L54 K424 L509 | L54-D474 HydrophobicContact CB-CB 3.97Å; L54-D474 HydrophobicContact CD2-CB 4.16Å; K424-D474 WeakPolarHBondContact CD-OD1 3.44Å; K424-D474 WeakPolarHBondContact CE-OD1 3.33Å; K424-D474 IonicContact NZ-OD1 4Å; K424-D474 PolarHBondContact NZ-OD1 2.86Å; K424-D474 IonicContact NZ-OD2 3.14Å; K424-D474 PolarHBondContact NZ-OD2 3.35Å; D474-L509 PolarHBondContact N-O 3Å; D474-L509 PolarHBondContact O-N 2.86Å |
| 475 | F | 97.2 | Very high | 83.2 | Confident | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.5 | 170.8 | 72.8 | -95.6 | 0 | 0 | 0 | 112.7 | K424 L426 V438 C440 V454 L506 L507 V508 | K424-F475 HydrophobicContact CB-CE1 3.75Å; K424-F475 HydrophobicContact CB-CZ 4.17Å; K424-F475 HydrophobicContact CD-CD1 4.12Å; K424-F475 HydrophobicContact CD-CE1 3.85Å; K424-F475 HydrophobicContact CD-CZ 4.1Å; K424-F475 HydrophobicContact CG-CE1 3.83Å; K424-F475 HydrophobicContact CG-CZ 3.89Å; K424-F475 PolarHBondContact NZ-O 2.81Å; L426-F475 HydrophobicContact CD1-CD2 4.24Å; L426-F475 HydrophobicContact CD1-CE2 3.74Å; L426-F475 HydrophobicContact CG-CE2 3.99Å; L426-F475 HydrophobicContact CG-CZ 4.49Å; V438-F475 HydrophobicContact CB-CE2 4.05Å; V438-F475 HydrophobicContact CG1-CD2 4Å; V438-F475 HydrophobicContact CG1-CE2 3.52Å; V438-F475 HydrophobicContact CG1-CZ 4.01Å; C440-F475 HydrophobicContact CB-CD1 4.14Å; C440-F475 HydrophobicContact CB-CE1 3.7Å; V454-F475 HydrophobicContact CG1-CD1 4.18Å; V454-F475 HydrophobicContact CG1-CE1 4.29Å; V454-F475 HydrophobicContact CG1-CG 4.37Å; V454-F475 HydrophobicContact CG2-CD1 4.28Å; F475-L506 HydrophobicContact CB-CD1 3.97Å; F475-L506 HydrophobicContact CD2-CD1 3.63Å; F475-L506 HydrophobicContact CG-CD1 4.14Å; F475-L507 CarbonylContact C-O 3.58Å; F475-L507 WeakPolarHBondContact CA-O 3.36Å; F475-L507 VanDerWaalsContact CB-O 3.26Å; F475-L507 WeakPolarHBondContact CB-O 3.49Å; F475-V508 HydrophobicContact CB-CB 4.45Å; F475-V508 HydrophobicContact CB-CG1 4.47Å; F475-V508 HydrophobicContact CB-CG2 4.04Å |
| 476 | V | 95.4 | Very high | 80.5 | Confident | 23 Ų | 23 | 40.5 Ų | 40.5 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.6 | 174.8 | -64.2 | 0 | 0 | 0 | 0 | 110.8 | L54 V478 L507 | L54-V476 HydrophobicContact CD2-CG1 4.09Å; L54-V476 HydrophobicContact CD2-CG2 4.13Å; L54-V476 HydrophobicContact CG-CG1 4.35Å; V476-V478 HydrophobicContact CG2-CG2 4.41Å; V476-L507 HydrophobicContact CG2-CB 3.93Å; V476-L507 HydrophobicContact CG2-CD1 4.15Å; V476-L507 HydrophobicContact CG2-CG 4.44Å; V476-L507 PolarHBondContact N-O 2.86Å; V476-L507 PolarHBondContact O-N 2.76Å |
| 477 | L | 94.3 | Very high | 78 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 15% | 0.147 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 120.8 | 171.1 | -71.5 | 167.5 | 0 | 0 | 0 | 108.9 | L426 S428 V438 T505 L506 L519 | L426-L477 HydrophobicContact CB-CD1 4.1Å; L426-L477 HydrophobicContact CD1-CD1 4.12Å; L426-L477 HydrophobicContact CD1-CG 4.28Å; S428-L477 WeakPolarHBondContact OG-CD1 3.22Å; V438-L477 HydrophobicContact CG2-CD1 4.35Å; V438-L477 HydrophobicContact CG2-CD2 4.18Å; L477-T505 CarbonylContact C-O 3.49Å; L477-T505 WeakPolarHBondContact CA-O 3.35Å; L477-L506 HydrophobicContact CD2-CB 4.09Å; L477-L506 HydrophobicContact CD2-CD1 4.17Å; L477-L519 HydrophobicContact CD2-CD1 3.77Å |
| 478 | V | 92.2 | Very high | 75.3 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130 | 175.7 | 168.3 | 0 | 0 | 0 | 0 | 109.3 | F56 V476 A504 T505 L507 W576 | F56-V478 HydrophobicContact CD1-CG2 3.86Å; F56-V478 HydrophobicContact CD2-CG2 4.1Å; F56-V478 HydrophobicContact CE1-CB 4.28Å; F56-V478 HydrophobicContact CE1-CG1 3.92Å; F56-V478 HydrophobicContact CE1-CG2 3.77Å; F56-V478 HydrophobicContact CE2-CG1 4.38Å; F56-V478 HydrophobicContact CE2-CG2 4.04Å; F56-V478 HydrophobicContact CG-CG2 4.02Å; F56-V478 HydrophobicContact CZ-CB 4.38Å; F56-V478 HydrophobicContact CZ-CG1 3.68Å; F56-V478 HydrophobicContact CZ-CG2 3.87Å; V476-V478 HydrophobicContact CG2-CG2 4.41Å; V478-A504 PolarHBondContact O-N 2.91Å; V478-T505 HydrophobicContact CB-CG2 4.46Å; V478-T505 PolarHBondContact N-O 2.76Å; V478-T505 PolarHBondContact O-N 2.8Å; V478-L507 HydrophobicContact CG2-CD1 3.48Å; V478-L507 VanDerWaalsContact CG2-CD1 3.48Å; V478-L507 HydrophobicContact CG2-CG 3.88Å; V478-W576 HydrophobicContact CG1-CH2 4.41Å; V478-W576 HydrophobicContact CG1-CZ3 3.91Å |
| 479 | P | 87 | Confident | 72.8 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 165.2 | 175.8 | 37.8 | -36.5 | 0 | 0 | 0 | 112.2 | P500 Y502 W576 | P479-P500 HydrophobicContact CB-CB 3.79Å; P479-P500 HydrophobicContact CB-CG 4.07Å; P479-P500 WeakPolarHBondContact CB-O 3.42Å; P479-P500 HydrophobicContact CG-CB 3.6Å; P479-P500 HydrophobicContact CG-CG 3.35Å; P479-Y502 WeakPolarHBondContact CA-O 3.31Å; P479-Y502 WeakPolarHBondContact CB-O 3.43Å; P479-W576 WeakPolarHBondContact O-CH2 3.46Å; P479-W576 VanDerWaalsContact O-CZ3 3.32Å; P479-W576 WeakPolarHBondContact O-CZ3 3.5Å |
| 480 | S | 78.7 | Confident | 70.6 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 43% | 0.427 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 143.7 | -177.9 | -55.2 | 0 | 0 | 0 | 0 | 113.8 | G482 P500 A504 | S480-G482 PolarHBondContact O-N 2.99Å; S480-P500 WeakPolarHBondContact O-CB 3.37Å; S480-A504 VanDerWaalsContact OG-CB 3.26Å; S480-A504 WeakPolarHBondContact OG-CB 3.33Å |
| 481 | E | 73.1 | Confident | 68.4 | Low | 113 Ų | 113 | 63.6 Ų | 63.6 | 53% | 0.528 | 39% | 0.388 | S | S | . | . | trans | -51.9 | 113.4 | 174.3 | -172.8 | 172.5 | -160.5 | 0 | 0 | 110.2 | W576 K584 | E481-W576 HydrophobicContact CB-CD2 3.9Å; E481-W576 HydrophobicContact CB-CE3 4Å; E481-W576 HydrophobicContact CB-CG 4.24Å; E481-W576 HydrophobicContact CB-CZ3 4.42Å; E481-W576 HydrophobicContact CG-CB 4.37Å; E481-W576 HydrophobicContact CG-CD2 3.92Å; E481-W576 HydrophobicContact CG-CG 3.82Å; E481-K584 IonicContact OE1-NZ 3.66Å; E481-K584 PolarHBondContact OE1-NZ 3.19Å; E481-K584 IonicContact OE2-NZ 3.44Å; E481-K584 PolarHBondContact OE2-NZ 2.88Å | ||
| 482 | G | 62 | Low | 65.7 | Low | 25 Ų | 25 | 66.2 Ų | 66.2 | 26% | 0.258 | 40% | 0.402 | S | S | . | . | trans | -69.7 | 129.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S480 V484 | S480-G482 PolarHBondContact O-N 2.99Å; G482-V484 PolarHBondContact O-N 2.89Å | ||
| 483 | S | 47.8 | Very low | 63 | Low | 96 Ų | 96 | 69.4 Ų | 69.4 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | trans | -63.7 | 128 | 176.1 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | S485 | S483-S485 PolarHBondContact O-N 2.9Å; S483-S485 VanDerWaalsContact O-N 3.12Å | ||
| 484 | V | 45.2 | Very low | 60.5 | Low | 93 Ų | 93 | 71 Ų | 71 | 56% | 0.564 | 43% | 0.432 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 110.1 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | G482 T495 | G482-V484 PolarHBondContact O-N 2.89Å; V484-T495 HydrophobicContact CG1-CG2 4.34Å |
| 485 | S | 39.2 | Very low | 58.1 | Low | 39 Ų | 39 | 72.1 Ų | 72.1 | 27% | 0.273 | 44% | 0.441 | S | S | . | . | trans | -84.1 | 122.1 | 171.2 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | S483 E487 K496 C498 | S483-S485 PolarHBondContact O-N 2.9Å; S483-S485 VanDerWaalsContact O-N 3.12Å; S485-E487 PolarHBondContact O-N 2.98Å; S485-E487 VanDerWaalsContact O-N 3.17Å; S485-K496 PolarHBondContact OG-O 2.86Å; S485-K496 VanDerWaalsContact OG-O 3.07Å; S485-C498 PolarHBondContact OG-SG 3.37Å | ||
| 486 | N | 37.8 | Very low | 55.7 | Low | 115 Ų | 115 | 78.3 Ų | 78.3 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | trans | -83.8 | 85.8 | 173.9 | -68.5 | -10.5 | 0 | 0 | 0 | 110.5 | V493 T495 | N486-V493 HydrophobicContact CB-CG1 4.44Å; N486-T495 WeakPolarHBondContact OD1-CG2 3.29Å | ||
| 487 | E | 41 | Very low | 53.4 | Low | 132 Ų | 132 | 78.3 Ų | 78.3 | 62% | 0.617 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.1 | 168.3 | -67.6 | -156.7 | 132.9 | 0 | 0 | 111.2 | S485 | S485-E487 PolarHBondContact O-N 2.98Å; S485-E487 VanDerWaalsContact O-N 3.17Å |
| 488 | T | 36.5 | Very low | 51.1 | Low | 105 Ų | 105 | 79.7 Ų | 79.7 | 64% | 0.644 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 104.5 | 174 | 25.5 | 0 | 0 | 0 | 0 | 110.9 | V493 | T488-V493 HydrophobicContact CG2-CB 4.48Å; T488-V493 HydrophobicContact CG2-CG2 3.81Å |
| 489 | V | 41 | Very low | 49.1 | Very low | 93 Ų | 93 | 83.3 Ų | 83.3 | 56% | 0.564 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.2 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | G491 E492 | V489-G491 PolarHBondContact O-N 3.21Å; V489-E492 PolarHBondContact O-N 3.11Å |
| 490 | S | 41.4 | Very low | 47.5 | Very low | 131 Ų | 131 | 83.6 Ų | 83.6 | 92% | 0.916 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 7.2 | 178 | 36.9 | 0 | 0 | 0 | 0 | 118 | ||
| 491 | G | 45.6 | Very low | 46.7 | Very low | 72 Ų | 72 | 82.7 Ų | 82.7 | 74% | 0.742 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.4 | -7.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V489 | V489-G491 PolarHBondContact O-N 3.21Š|
| 492 | E | 36.6 | Very low | 46.9 | Very low | 150 Ų | 150 | 82.4 Ų | 82.4 | 70% | 0.701 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 147.2 | 162.2 | -79.9 | 177.4 | 137.9 | 0 | 0 | 110.2 | V489 V494 | V489-E492 PolarHBondContact O-N 3.11Å; E492-V494 HydrophobicContact CB-CG2 4.37Å; E492-V494 PolarHBondContact O-N 3.2Å |
| 493 | V | 38.8 | Very low | 47.7 | Very low | 87 Ų | 87 | 81.9 Ų | 81.9 | 53% | 0.527 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 87.4 | 174.9 | -174.1 | 0 | 0 | 0 | 0 | 107.6 | N486 T488 T495 | N486-V493 HydrophobicContact CB-CG1 4.44Å; T488-V493 HydrophobicContact CG2-CB 4.48Å; T488-V493 HydrophobicContact CG2-CG2 3.81Å; V493-T495 HydrophobicContact CG1-CG2 4.2Å; V493-T495 PolarHBondContact O-N 3.36Å |
| 494 | V | 44.8 | Very low | 49.5 | Very low | 78 Ų | 78 | 77.5 Ų | 77.5 | 47% | 0.473 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 100.7 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | E492 K496 | E492-V494 HydrophobicContact CB-CG2 4.37Å; E492-V494 PolarHBondContact O-N 3.2Å; V494-K496 PolarHBondContact O-N 3.02Å |
| 495 | T | 44.5 | Very low | 51.8 | Low | 60 Ų | 60 | 73.2 Ų | 73.2 | 37% | 0.368 | 43% | 0.43 | S | S | . | . | trans | -75.4 | 70 | -178.9 | 47.9 | 0 | 0 | 0 | 0 | 112 | V484 N486 V493 | V484-T495 HydrophobicContact CG1-CG2 4.34Å; N486-T495 WeakPolarHBondContact OD1-CG2 3.29Å; V493-T495 HydrophobicContact CG1-CG2 4.2Å; V493-T495 PolarHBondContact O-N 3.36Å | ||
| 496 | K | 46.7 | Very low | 54.6 | Low | 131 Ų | 131 | 71.4 Ų | 71.4 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 128.3 | 173.2 | -163.8 | -178.5 | -178.1 | -174.3 | 0 | 109.9 | S485 V494 | S485-K496 PolarHBondContact OG-O 2.86Å; S485-K496 VanDerWaalsContact OG-O 3.07Å; V494-K496 PolarHBondContact O-N 3.02Å |
| 497 | P | 47.5 | Very low | 57.4 | Low | 23 Ų | 23 | 65.9 Ų | 65.9 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 144 | 171.8 | 28.4 | -34.1 | 0 | 0 | 0 | 110.5 | F59 W1287 | F59-P497 HydrophobicContact CD1-CG 4.49Å; P497-W1287 HydrophobicContact CG-CZ2 3.95Å |
| 498 | C | 45.7 | Very low | 60.1 | Low | 56 Ų | 56 | 59.6 Ų | 59.6 | 38% | 0.378 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 146.2 | 162.8 | -64.9 | 0 | 0 | 0 | 0 | 109.6 | S485 | S485-C498 PolarHBondContact OG-SG 3.37Š|
| 499 | P | 50.4 | Low | 63 | Low | 77 Ų | 77 | 54.6 Ų | 54.6 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 134 | 170.1 | 26.6 | -33.6 | 0 | 0 | 0 | 109.5 | S501 | P499-S501 PolarHBondContact O-N 3.12Å; P499-S501 VanDerWaalsContact O-N 3.16Å |
| 500 | P | 53.8 | Low | 65.6 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | trans | -70.3 | 111.5 | -172.4 | 29.4 | -36.9 | 0 | 0 | 0 | 111.1 | E58 P479 S480 Y502 | E58-P500 HydrophobicContact CB-CG 4.06Å; E58-P500 HydrophobicContact CG-CG 4.43Å; P479-P500 HydrophobicContact CB-CB 3.79Å; P479-P500 HydrophobicContact CB-CG 4.07Å; P479-P500 WeakPolarHBondContact CB-O 3.42Å; P479-P500 HydrophobicContact CG-CB 3.6Å; P479-P500 HydrophobicContact CG-CG 3.35Å; S480-P500 WeakPolarHBondContact O-CB 3.37Å; P500-Y502 PolarHBondContact O-N 3.49Å | ||
| 501 | S | 61.7 | Low | 68 | Low | 43 Ų | 43 | 47.6 Ų | 47.6 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | trans | -86.2 | -5.8 | -149.3 | -166.2 | 0 | 0 | 0 | 0 | 117.2 | V369 P499 | V369-S501 WeakPolarHBondContact CG2-O 3.44Å; P499-S501 PolarHBondContact O-N 3.12Å; P499-S501 VanDerWaalsContact O-N 3.16Å | ||
| 502 | Y | 76.4 | Confident | 70.2 | Confident | 107 Ų | 107 | 46.7 Ų | 46.7 | 42% | 0.42 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -147.2 | 142.4 | -177.8 | -64.3 | -83.5 | 0 | 0 | 0 | 111.5 | P429 S430 P479 P500 A504 | P429-Y502 HydrophobicContact CB-CD1 3.98Å; P429-Y502 HydrophobicContact CB-CE1 4.2Å; S430-Y502 VanDerWaalsContact O-CD1 3.3Å; S430-Y502 WeakPolarHBondContact O-CD1 3.28Å; P479-Y502 WeakPolarHBondContact CA-O 3.31Å; P479-Y502 WeakPolarHBondContact CB-O 3.43Å; P500-Y502 PolarHBondContact O-N 3.49Å; Y502-A504 PolarHBondContact O-N 3.38Å |
| 503 | S | 78.7 | Confident | 72.9 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.7 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | S428 P429 A431 | S428-S503 WeakPolarHBondContact CB-OG 3.27Å; S428-S503 WeakPolarHBondContact OG-CB 3.22Å; S428-S503 PolarHBondContact OG-OG 2.9Å; P429-S503 PolarHBondContact O-N 3.5Å; A431-S503 PolarHBondContact N-O 2.83Å |
| 504 | A | 85.4 | Confident | 75.6 | Confident | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -20.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V478 S480 Y502 L519 T520 | V478-A504 PolarHBondContact O-N 2.91Å; S480-A504 VanDerWaalsContact OG-CB 3.26Å; S480-A504 WeakPolarHBondContact OG-CB 3.33Å; Y502-A504 PolarHBondContact O-N 3.38Å; A504-L519 PolarHBondContact O-N 2.9Å; A504-T520 HydrophobicContact CB-CG2 3.68Å |
| 505 | T | 94.7 | Very high | 78 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.5 | -179.2 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | L477 V478 L507 A516 I517 Y527 P574 | L477-T505 CarbonylContact C-O 3.49Å; L477-T505 WeakPolarHBondContact CA-O 3.35Å; V478-T505 HydrophobicContact CB-CG2 4.46Å; V478-T505 PolarHBondContact N-O 2.76Å; V478-T505 PolarHBondContact O-N 2.8Å; T505-L507 HydrophobicContact CG2-CD2 3.67Å; T505-L507 HydrophobicContact CG2-CG 4.1Å; T505-A516 HydrophobicContact CG2-CB 4.33Å; T505-I517 CarbonylContact C-O 3.58Å; T505-I517 WeakPolarHBondContact CA-O 3.31Å; T505-Y527 HydrophobicContact CG2-CE2 3.92Å; T505-Y527 PolarHBondContact OG1-OH 2.99Å; T505-P574 HydrophobicContact CG2-CB 4.09Å; T505-P574 HydrophobicContact CG2-CG 3.67Å; T505-P574 WeakPolarHBondContact OG1-CB 3.19Å |
| 506 | L | 96.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.5 | 161.7 | 169.1 | 60.9 | 0 | 0 | 0 | 109.2 | V438 V454 V456 F475 L477 V508 A516 I517 L519 | V438-L506 HydrophobicContact CG1-CD1 3.98Å; V438-L506 HydrophobicContact CG1-CD2 3.84Å; V454-L506 HydrophobicContact CG1-CD2 4.09Å; V456-L506 HydrophobicContact CG2-CD2 3.6Å; F475-L506 HydrophobicContact CB-CD1 3.97Å; F475-L506 HydrophobicContact CD2-CD1 3.63Å; F475-L506 HydrophobicContact CG-CD1 4.14Å; L477-L506 HydrophobicContact CD2-CB 4.09Å; L477-L506 HydrophobicContact CD2-CD1 4.17Å; L506-V508 HydrophobicContact CD1-CG2 4.1Å; L506-V508 HydrophobicContact CD2-CG2 4.15Å; L506-V508 HydrophobicContact CG-CG2 3.85Å; L506-A516 CarbonylContact O-C 3.6Å; L506-A516 WeakPolarHBondContact O-CA 3.45Å; L506-I517 HydrophobicContact CB-CB 4.32Å; L506-I517 HydrophobicContact CD2-CD1 4.1Å; L506-I517 HydrophobicContact CG-CD1 4.46Å; L506-I517 PolarHBondContact N-O 2.97Å; L506-I517 PolarHBondContact O-N 2.69Å; L506-L519 HydrophobicContact CB-CD1 4.06Å; L506-L519 HydrophobicContact CB-CD2 4.44Å; L506-L519 HydrophobicContact CB-CG 4.4Å |
| 507 | L | 97 | Very high | 82.8 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.1 | 169.5 | -61 | -176.6 | 0 | 0 | 0 | 109.7 | L63 F475 V476 V478 T505 L514 A516 P574 I575 | L63-L507 HydrophobicContact CD1-CD1 3.77Å; L63-L507 HydrophobicContact CD2-CD1 4.36Å; F475-L507 CarbonylContact C-O 3.58Å; F475-L507 WeakPolarHBondContact CA-O 3.36Å; F475-L507 VanDerWaalsContact CB-O 3.26Å; F475-L507 WeakPolarHBondContact CB-O 3.49Å; V476-L507 HydrophobicContact CG2-CB 3.93Å; V476-L507 HydrophobicContact CG2-CD1 4.15Å; V476-L507 HydrophobicContact CG2-CG 4.44Å; V476-L507 PolarHBondContact N-O 2.86Å; V476-L507 PolarHBondContact O-N 2.76Å; V478-L507 HydrophobicContact CG2-CD1 3.48Å; V478-L507 VanDerWaalsContact CG2-CD1 3.48Å; V478-L507 HydrophobicContact CG2-CG 3.88Å; T505-L507 HydrophobicContact CG2-CD2 3.67Å; T505-L507 HydrophobicContact CG2-CG 4.1Å; L507-L514 HydrophobicContact CB-CD1 4.46Å; L507-A516 HydrophobicContact CD2-CB 3.37Å; L507-P574 HydrophobicContact CD2-CG 4.43Å; L507-I575 HydrophobicContact CD1-CD1 3.7Å |
| 508 | V | 97.6 | Very high | 85 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 114.9 | 175.5 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | V454 F468 V472 F475 L506 T510 V515 | V454-V508 HydrophobicContact CB-CG2 4.48Å; V454-V508 HydrophobicContact CG2-CG1 3.96Å; V454-V508 HydrophobicContact CG2-CG2 4.19Å; F468-V508 HydrophobicContact CD1-CG1 4.42Å; F468-V508 HydrophobicContact CE1-CB 3.93Å; F468-V508 HydrophobicContact CE1-CG1 3.93Å; F468-V508 HydrophobicContact CE1-CG2 4.28Å; F468-V508 HydrophobicContact CE2-CG1 4.09Å; F468-V508 HydrophobicContact CE2-CG2 4.49Å; F468-V508 HydrophobicContact CZ-CB 3.86Å; F468-V508 HydrophobicContact CZ-CG1 3.77Å; F468-V508 HydrophobicContact CZ-CG2 3.75Å; V472-V508 HydrophobicContact CB-CG1 4.45Å; V472-V508 HydrophobicContact CG1-CG1 3.78Å; V472-V508 HydrophobicContact CG2-CG1 3.95Å; F475-V508 HydrophobicContact CB-CB 4.45Å; F475-V508 HydrophobicContact CB-CG1 4.47Å; F475-V508 HydrophobicContact CB-CG2 4.04Å; L506-V508 HydrophobicContact CD1-CG2 4.1Å; L506-V508 HydrophobicContact CD2-CG2 4.15Å; L506-V508 HydrophobicContact CG-CG2 3.85Å; V508-T510 HydrophobicContact CG1-CG2 4.4Å; V508-V515 PolarHBondContact N-O 3.42Å; V508-V515 PolarHBondContact O-N 3.5Å |
| 509 | L | 97.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.6 | 170.6 | -179.8 | 60.9 | 0 | 0 | 0 | 109.2 | P51 L54 I65 I473 D474 L514 | P51-L509 HydrophobicContact CB-CD2 3.99Å; P51-L509 HydrophobicContact CB-CG 4.48Å; L54-L509 HydrophobicContact CB-CD2 4.47Å; L54-L509 HydrophobicContact CD1-CB 4.4Å; L54-L509 HydrophobicContact CD1-CD2 4.14Å; L54-L509 HydrophobicContact CD2-CB 4.04Å; I65-L509 HydrophobicContact CD1-CD1 3.99Å; I65-L509 HydrophobicContact CD1-CD2 3.95Å; I65-L509 HydrophobicContact CG1-CD2 4.03Å; I65-L509 HydrophobicContact CG2-CD2 3.92Å; I473-L509 PolarHBondContact N-O 3.48Å; D474-L509 PolarHBondContact N-O 3Å; D474-L509 PolarHBondContact O-N 2.86Å; L509-L514 HydrophobicContact CB-CD1 4.31Å |
| 510 | T | 95.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 175.2 | 172.4 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | F468 S470 K471 V508 R512 E513 | F468-T510 HydrophobicContact CB-CG2 4.02Å; F468-T510 HydrophobicContact CD1-CG2 3.88Å; F468-T510 HydrophobicContact CG-CG2 4.06Å; S470-T510 VanDerWaalsContact OG-CB 3.28Å; S470-T510 WeakPolarHBondContact OG-CB 3.41Å; S470-T510 PolarHBondContact OG-OG1 3.08Å; S470-T510 VanDerWaalsContact OG-OG1 3.07Å; K471-T510 CarbonylContact O-C 3.56Å; K471-T510 WeakPolarHBondContact O-CA 3.35Å; K471-T510 WeakPolarHBondContact O-CB 3.34Å; V508-T510 HydrophobicContact CG1-CG2 4.4Å; T510-R512 PolarHBondContact O-N 3.09Å; T510-R512 VanDerWaalsContact O-N 3.16Å; T510-R512 PolarHBondContact OG1-N 2.92Å; T510-E513 PolarHBondContact N-O 3.26Å; T510-E513 WeakPolarHBondContact OG1-CG 3.37Å; T510-E513 PolarHBondContact OG1-N 3.34Å; T510-E513 PolarHBondContact OG1-O 3.19Å |
| 511 | E | 92.8 | Very high | 90.9 | Very high | 77 Ų | 77 | 20.2 Ų | 20.2 | 36% | 0.36 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -60.5 | -19.3 | 175.2 | -75.9 | 177.4 | 162 | 0 | 0 | 114 | K471 I473 | K471-E511 HydrophobicContact CB-CG 4.09Å; K471-E511 WeakPolarHBondContact CB-OE2 2.97Å; K471-E511 HydrophobicContact CD-CG 4.25Å; K471-E511 WeakPolarHBondContact CD-OE1 3.37Å; K471-E511 IonicContact NZ-OE1 3.06Å; K471-E511 PolarHBondContact NZ-OE1 3.21Å; K471-E511 PolarHBondContact O-N 3.23Å; I473-E511 HydrophobicContact CD1-CG 3.65Å; I473-E511 HydrophobicContact CG1-CG 3.89Å |
| 512 | R | 91.7 | Very high | 92.1 | Very high | 52 Ų | 52 | 22.4 Ų | 22.4 | 20% | 0.196 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -130.9 | -16.8 | -172.3 | -55.8 | -174.5 | 77.9 | -174.4 | 6.8 | 115.5 | C47 S470 T510 D536 F537 | C47-R512 VanDerWaalsContact CB-C 3.49Å; C47-R512 WeakPolarHBondContact CB-O 3.43Å; S470-R512 PolarHBondContact OG-N 2.89Å; T510-R512 PolarHBondContact O-N 3.09Å; T510-R512 VanDerWaalsContact O-N 3.16Å; T510-R512 PolarHBondContact OG1-N 2.92Å; R512-D536 IonicContact CZ-OD1 2.65Å; R512-D536 IonicContact NE-OD1 2.76Å; R512-D536 PolarHBondContact NH2-O 3.11Å; R512-D536 IonicContact NH2-OD1 2.76Å; R512-D536 PolarHBondContact NH2-OD1 3.16Å; R512-D536 IonicContact NH2-OD2 3.47Å; R512-D536 PolarHBondContact NH2-OD2 2.97Å; R512-F537 PolarHBondContact NH1-O 2.86Å |
| 513 | E | 93 | Very high | 92.7 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.014 | 12% | 0.123 | C | C | . | . | trans | -152.8 | 151.7 | 179.8 | 53.9 | -172.2 | 169.7 | 0 | 0 | 114.4 | T510 V515 L532 C534 G655 Y656 C657 | T510-E513 PolarHBondContact N-O 3.26Å; T510-E513 WeakPolarHBondContact OG1-CG 3.37Å; T510-E513 PolarHBondContact OG1-N 3.34Å; T510-E513 PolarHBondContact OG1-O 3.19Å; E513-V515 HydrophobicContact CG-CG2 4.15Å; E513-L532 VanDerWaalsContact CA-O 3.25Å; E513-L532 WeakPolarHBondContact CA-O 3.37Å; E513-C534 HydrophobicContact CB-CB 4.06Å; E513-C534 HydrophobicContact CG-CB 4.34Å; E513-C534 WeakPolarHBondContact OE2-CB 3.43Å; E513-G655 WeakPolarHBondContact OE1-CA 3.47Å; E513-Y656 PolarHBondContact OE1-N 3.07Å; E513-Y656 WeakPolarHBondContact OE2-CA 3.35Å; E513-Y656 WeakPolarHBondContact OE2-CB 3.46Å; E513-Y656 PolarHBondContact OE2-N 3.47Å; E513-C657 WeakPolarHBondContact OE1-CB 3.47Å; E513-C657 PolarHBondContact OE1-N 2.82Å; E513-C657 PolarHBondContact OE1-SG 3.09Å; E513-C657 VanDerWaalsContact OE1-SG 3.38Å; E513-C657 PolarHBondContact OE2-N 3.15Å | ||
| 514 | L | 95.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.5 | 162.3 | -179.6 | 69.6 | 0 | 0 | 0 | 109.3 | L63 L507 L509 Y531 L532 W573 | L63-L514 HydrophobicContact CD2-CD1 4.48Å; L63-L514 HydrophobicContact CD2-CD2 3.66Å; L507-L514 HydrophobicContact CB-CD1 4.46Å; L509-L514 HydrophobicContact CB-CD1 4.31Å; L514-Y531 HydrophobicContact CD2-CE2 4.25Å; L514-L532 HydrophobicContact CB-CB 3.77Å; L514-L532 HydrophobicContact CB-CD1 3.86Å; L514-L532 HydrophobicContact CB-CG 4.47Å; L514-L532 HydrophobicContact CD2-CD1 3.72Å; L514-L532 HydrophobicContact CG-CD1 4.37Å; L514-L532 PolarHBondContact N-O 3.47Å; L514-W573 HydrophobicContact CD2-CH2 4.18Å; L514-W573 HydrophobicContact CD2-CZ2 3.93Å |
| 515 | V | 95.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.1 | 174.1 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | F468 V508 E513 I517 V526 V654 | F468-V515 HydrophobicContact CD1-CB 4.48Å; F468-V515 HydrophobicContact CD1-CG2 4.07Å; F468-V515 HydrophobicContact CE1-CB 3.89Å; F468-V515 HydrophobicContact CE1-CG1 4.1Å; F468-V515 HydrophobicContact CE1-CG2 3.98Å; V508-V515 PolarHBondContact N-O 3.42Å; V508-V515 PolarHBondContact O-N 3.5Å; E513-V515 HydrophobicContact CG-CG2 4.15Å; V515-I517 HydrophobicContact CG1-CG1 4.47Å; V515-V526 HydrophobicContact CG1-CG1 3.75Å; V515-V654 HydrophobicContact CG1-CB 4.32Å; V515-V654 HydrophobicContact CG1-CG2 4.15Å |
| 516 | A | 95.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 134 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | T505 L506 L507 V526 Y527 W573 P574 | T505-A516 HydrophobicContact CG2-CB 4.33Å; L506-A516 CarbonylContact O-C 3.6Å; L506-A516 WeakPolarHBondContact O-CA 3.45Å; L507-A516 HydrophobicContact CD2-CB 3.37Å; A516-V526 CarbonylContact O-C 3.58Å; A516-V526 VanDerWaalsContact O-CA 3.29Å; A516-V526 WeakPolarHBondContact O-CA 3.39Å; A516-V526 WeakPolarHBondContact O-CG1 3.12Å; A516-Y527 HydrophobicContact CB-CD2 3.67Å; A516-Y527 HydrophobicContact CB-CG 4.28Å; A516-Y527 PolarHBondContact O-N 2.94Å; A516-W573 HydrophobicContact CB-CH2 3.67Å; A516-W573 HydrophobicContact CB-CZ3 3.65Å; A516-P574 HydrophobicContact CB-CG 4.37Å |
| 517 | I | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.7 | -176.8 | -62.5 | 157 | 0 | 0 | 0 | 108.9 | Y466 T505 L506 V515 L519 W524 P525 | Y466-I517 HydrophobicContact CD1-CD1 3.72Å; Y466-I517 HydrophobicContact CD1-CG1 4.49Å; Y466-I517 HydrophobicContact CD2-CD1 3.84Å; Y466-I517 HydrophobicContact CE1-CD1 3.83Å; Y466-I517 HydrophobicContact CE1-CG1 4.23Å; Y466-I517 HydrophobicContact CE1-CG2 4.27Å; Y466-I517 HydrophobicContact CE2-CD1 3.98Å; Y466-I517 HydrophobicContact CE2-CG2 4.29Å; Y466-I517 HydrophobicContact CG-CD1 3.7Å; T505-I517 CarbonylContact C-O 3.58Å; T505-I517 WeakPolarHBondContact CA-O 3.31Å; L506-I517 HydrophobicContact CB-CB 4.32Å; L506-I517 HydrophobicContact CD2-CD1 4.1Å; L506-I517 HydrophobicContact CG-CD1 4.46Å; L506-I517 PolarHBondContact N-O 2.97Å; L506-I517 PolarHBondContact O-N 2.69Å; V515-I517 HydrophobicContact CG1-CG1 4.47Å; I517-L519 HydrophobicContact CG2-CD2 3.94Å; I517-L519 PolarHBondContact O-N 2.94Å; I517-W524 HydrophobicContact CG2-CB 4.13Å; I517-P525 CarbonylContact C-O 3.6Å; I517-P525 WeakPolarHBondContact CA-O 3.38Å |
| 518 | D | 94.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 101.9 | -178.1 | -173.1 | -18.7 | 0 | 0 | 0 | 110.5 | T520 W524 P525 Y527 T569 C571 | D518-T520 PolarHBondContact O-N 3.49Å; D518-T520 WeakPolarHBondContact OD1-CB 3.42Å; D518-T520 PolarHBondContact OD1-N 2.98Å; D518-T520 PolarHBondContact OD1-OG1 2.95Å; D518-W524 WeakPolarHBondContact O-CA 3.35Å; D518-P525 HydrophobicContact CB-CG 4.3Å; D518-P525 PolarHBondContact N-O 3.25Å; D518-Y527 HydrophobicContact CB-CD2 4.28Å; D518-Y527 HydrophobicContact CB-CE1 4.48Å; D518-Y527 HydrophobicContact CB-CE2 3.58Å; D518-T569 HydrophobicContact CB-CG2 4.02Å; D518-T569 WeakPolarHBondContact OD2-CB 3.32Å; D518-T569 PolarHBondContact OD2-OG1 2.89Å; D518-C571 PolarHBondContact OD2-SG 3.45Å |
| 519 | L | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 0.9 | -178.6 | -54.2 | -179.4 | 0 | 0 | 0 | 112.7 | L436 V456 L477 A504 L506 I517 W524 | L436-L519 HydrophobicContact CD1-CB 4.36Å; L436-L519 HydrophobicContact CD1-CD1 3.77Å; L436-L519 HydrophobicContact CD2-CD1 4.44Å; V456-L519 HydrophobicContact CG1-CD2 4.3Å; L477-L519 HydrophobicContact CD2-CD1 3.77Å; A504-L519 PolarHBondContact O-N 2.9Å; L506-L519 HydrophobicContact CB-CD1 4.06Å; L506-L519 HydrophobicContact CB-CD2 4.44Å; L506-L519 HydrophobicContact CB-CG 4.4Å; I517-L519 HydrophobicContact CG2-CD2 3.94Å; I517-L519 PolarHBondContact O-N 2.94Å; L519-W524 HydrophobicContact CD2-CB 4.45Å; L519-W524 HydrophobicContact CD2-CD2 4.27Å; L519-W524 HydrophobicContact CD2-CG 4.04Å |
| 520 | T | 90.2 | Very high | 92.5 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 23% | 0.227 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -25 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 113 | A431 N432 A504 D518 | A431-T520 HydrophobicContact CB-CG2 4.2Å; N432-T520 PolarHBondContact ND2-O 3.22Å; N432-T520 PolarHBondContact OD1-O 2.66Å; A504-T520 HydrophobicContact CB-CG2 3.68Å; D518-T520 PolarHBondContact O-N 3.49Å; D518-T520 WeakPolarHBondContact OD1-CB 3.42Å; D518-T520 PolarHBondContact OD1-N 2.98Å; D518-T520 PolarHBondContact OD1-OG1 2.95Å |
| 521 | Q | 90.4 | Very high | 92.4 | Very high | 76 Ų | 76 | 28.3 Ų | 28.3 | 36% | 0.355 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -89.6 | 151.3 | 177.8 | -52.3 | -53.7 | -60.8 | 0 | 0 | 111.2 | D523 W524 P525 | Q521-D523 PolarHBondContact O-N 2.92Å; Q521-W524 VanDerWaalsContact O-CD1 3.25Å; Q521-W524 PolarHBondContact O-N 2.71Å; Q521-P525 HydrophobicContact CB-CG 4.03Å; Q521-P525 HydrophobicContact CG-CG 4.24Å |
| 522 | P | 86.8 | Confident | 92.4 | Very high | 88 Ų | 88 | 24.6 Ų | 24.6 | 57% | 0.571 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -43.1 | -174.3 | -25.7 | 35.2 | 0 | 0 | 0 | 114 | W524 | P522-W524 VanDerWaalsContact C-N 3.31Å; P522-W524 PolarHBondContact O-N 2.92Å |
| 523 | D | 87.8 | Confident | 92.3 | Very high | 124 Ų | 124 | 22.9 Ų | 22.9 | 66% | 0.663 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90 | 13.4 | -173.9 | -50.4 | -71.6 | 0 | 0 | 0 | 113.5 | Q521 R652 | Q521-D523 PolarHBondContact O-N 2.92Å; D523-R652 PolarHBondContact O-NH1 3.06Å; D523-R652 PolarHBondContact O-NH2 3.48Å |
| 524 | W | 93 | Very high | 92.1 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 2% | 0.023 | 13% | 0.127 | C | C | . | . | trans | 35.4 | 62.4 | -176 | -59.1 | -25.6 | 0 | 0 | 0 | 115.7 | L436 V456 Q458 H462 V464 Y466 I517 D518 L519 Q521 P522 R652 | L436-W524 HydrophobicContact CD2-CZ2 4Å; V456-W524 HydrophobicContact CB-CE3 4.08Å; V456-W524 HydrophobicContact CB-CH2 4.25Å; V456-W524 HydrophobicContact CB-CZ3 3.69Å; V456-W524 HydrophobicContact CG1-CD2 4.38Å; V456-W524 HydrophobicContact CG1-CE3 3.89Å; V456-W524 HydrophobicContact CG1-CH2 3.56Å; V456-W524 HydrophobicContact CG1-CZ2 4.05Å; V456-W524 HydrophobicContact CG1-CZ3 3.47Å; V456-W524 VanDerWaalsContact CG1-CZ3 3.47Å; V456-W524 WeakPolarHBondContact O-CZ3 3.35Å; Q458-W524 HydrophobicContact CB-CH2 4.05Å; Q458-W524 HydrophobicContact CB-CZ2 3.84Å; H462-W524 HydrophobicContact CB-CH2 3.84Å; H462-W524 HydrophobicContact CB-CZ2 4.02Å; H462-W524 WeakPolarHBondContact O-CH2 3.47Å; V464-W524 HydrophobicContact CB-CE3 4.1Å; V464-W524 HydrophobicContact CB-CZ3 4.18Å; V464-W524 HydrophobicContact CG2-CE3 3.7Å; V464-W524 HydrophobicContact CG2-CZ3 3.9Å; Y466-W524 WeakPolarHBondContact OH-CB 3.49Å; Y466-W524 PolarHBondContact OH-O 2.92Å; I517-W524 HydrophobicContact CG2-CB 4.13Å; D518-W524 WeakPolarHBondContact O-CA 3.35Å; L519-W524 HydrophobicContact CD2-CB 4.45Å; L519-W524 HydrophobicContact CD2-CD2 4.27Å; L519-W524 HydrophobicContact CD2-CG 4.04Å; Q521-W524 VanDerWaalsContact O-CD1 3.25Å; Q521-W524 PolarHBondContact O-N 2.71Å; P522-W524 VanDerWaalsContact C-N 3.31Å; P522-W524 PolarHBondContact O-N 2.92Å; W524-R652 PolarHBondContact O-NH1 2.88Å | ||
| 525 | P | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 22.9 Ų | 22.9 | 9% | 0.091 | 13% | 0.127 | C | C | . | . | P | Polyproline II helix | trans | -70.1 | 170.9 | 177.6 | 30.9 | -35.2 | 0 | 0 | 0 | 112.9 | I517 D518 Q521 | I517-P525 CarbonylContact C-O 3.6Å; I517-P525 WeakPolarHBondContact CA-O 3.38Å; D518-P525 HydrophobicContact CB-CG 4.3Å; D518-P525 PolarHBondContact N-O 3.25Å; Q521-P525 HydrophobicContact CB-CG 4.03Å; Q521-P525 HydrophobicContact CG-CG 4.24Å |
| 526 | V | 93 | Very high | 91.2 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 6% | 0.055 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -97.2 | 145.9 | -177.7 | -168.5 | 0 | 0 | 0 | 0 | 110 | V515 A516 D567 I568 T569 V654 | V515-V526 HydrophobicContact CG1-CG1 3.75Å; A516-V526 CarbonylContact O-C 3.58Å; A516-V526 VanDerWaalsContact O-CA 3.29Å; A516-V526 WeakPolarHBondContact O-CA 3.39Å; A516-V526 WeakPolarHBondContact O-CG1 3.12Å; V526-D567 WeakPolarHBondContact CB-O 3.4Å; V526-D567 PolarHBondContact N-O 3.06Å; V526-I568 CarbonylContact O-C 3.54Å; V526-I568 VanDerWaalsContact O-CA 3.28Å; V526-I568 WeakPolarHBondContact O-CA 3.5Å; V526-T569 PolarHBondContact O-N 2.88Å; V526-V654 HydrophobicContact CG2-CB 4.04Å; V526-V654 HydrophobicContact CG2-CG1 3.58Å |
| 527 | Y | 92.8 | Very high | 90.4 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | P | Polyproline II helix | trans | -81 | 143.2 | 167.4 | -61.2 | -97.8 | 0 | 0 | 0 | 110.9 | T505 A516 D518 S529 T569 C571 S572 W573 P574 | T505-Y527 HydrophobicContact CG2-CE2 3.92Å; T505-Y527 PolarHBondContact OG1-OH 2.99Å; A516-Y527 HydrophobicContact CB-CD2 3.67Å; A516-Y527 HydrophobicContact CB-CG 4.28Å; A516-Y527 PolarHBondContact O-N 2.94Å; D518-Y527 HydrophobicContact CB-CD2 4.28Å; D518-Y527 HydrophobicContact CB-CE1 4.48Å; D518-Y527 HydrophobicContact CB-CE2 3.58Å; Y527-S529 PolarHBondContact O-N 3.33Å; Y527-T569 HydrophobicContact CD1-CG2 3.26Å; Y527-T569 HydrophobicContact CD2-CG2 4.2Å; Y527-T569 HydrophobicContact CE1-CG2 3.56Å; Y527-T569 HydrophobicContact CE2-CG2 4.45Å; Y527-T569 HydrophobicContact CG-CG2 3.61Å; Y527-C571 HydrophobicContact CD1-CB 4.48Å; Y527-C571 HydrophobicContact CE1-CB 3.7Å; Y527-S572 WeakPolarHBondContact CE1-O 3.36Å; Y527-W573 HydrophobicContact CG-CE3 4.42Å; Y527-P574 HydrophobicContact CD1-CG 4.43Å; Y527-P574 HydrophobicContact CD2-CG 4.01Å; Y527-P574 HydrophobicContact CE1-CG 4.27Å; Y527-P574 HydrophobicContact CE2-CB 4.47Å; Y527-P574 HydrophobicContact CE2-CG 3.82Å; Y527-P574 HydrophobicContact CG-CG 4.31Å |
| 528 | D | 89 | Confident | 90 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 29% | 0.289 | 14% | 0.138 | S | C | . | . | P | Polyproline II helix | trans | -66.1 | 116.9 | 166.7 | -166.6 | 5 | 0 | 0 | 0 | 109.4 | P530 H558 Q562 I568 | D528-P530 WeakPolarHBondContact O-CD 3.11Å; D528-H558 IonicContact OD2-CD2 2.73Å; D528-H558 IonicContact OD2-CE1 2.77Å; D528-H558 IonicContact OD2-NE2 3.39Å; D528-H558 PolarHBondContact OD2-NE2 3.15Å; D528-Q562 PolarHBondContact OD2-NE2 2.82Å; D528-I568 HydrophobicContact CB-CD1 4.31Å; D528-I568 HydrophobicContact CB-CG2 4.36Å |
| 529 | S | 91.5 | Very high | 89.7 | Confident | 10 Ų | 10 | 28.9 Ų | 28.9 | 7% | 0.07 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -84.3 | 120.8 | -169.4 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | Y527 Y531 N533 W573 | Y527-S529 PolarHBondContact O-N 3.33Å; S529-Y531 VanDerWaalsContact C-N 3.29Å; S529-Y531 PolarHBondContact O-N 2.69Å; S529-Y531 PolarHBondContact OG-O 2.91Å; S529-N533 PolarHBondContact O-ND2 3.28Å; S529-N533 PolarHBondContact O-OD1 3.02Å; S529-W573 WeakPolarHBondContact OG-CH2 3.32Å |
| 530 | P | 92 | Very high | 89.7 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 10% | 0.104 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -75.5 | -16.1 | -177.4 | 31.7 | -36.3 | 0 | 0 | 0 | 112.9 | P78 D528 W573 T614 T615 | P78-P530 HydrophobicContact CB-CB 4.09Å; P78-P530 HydrophobicContact CG-CB 3.85Å; P78-P530 HydrophobicContact CG-CG 3.97Å; D528-P530 WeakPolarHBondContact O-CD 3.11Å; P530-W573 HydrophobicContact CG-CD2 3.67Å; P530-W573 HydrophobicContact CG-CE3 4.24Å; P530-W573 HydrophobicContact CG-CG 3.76Å; P530-W573 HydrophobicContact CG-CZ2 4.39Å; P530-T614 HydrophobicContact CB-CG2 4.28Å; P530-T614 CarbonylContact O-C 3.59Å; P530-T614 WeakPolarHBondContact O-CA 3.37Å; P530-T614 WeakPolarHBondContact O-CG2 3.29Å; P530-T615 PolarHBondContact O-N 3.44Å; P530-T615 VanDerWaalsContact O-O 3.14Å |
| 531 | Y | 92.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -151 | 175.3 | -177.1 | 41.8 | -123.9 | 0 | 0 | 0 | 111 | Y75 G76 L514 S529 N533 W573 I575 D613 | Y75-Y531 AromaticContact CD1-CD1 3.93Å; Y75-Y531 HydrophobicContact CD1-CD1 3.93Å; Y75-Y531 AromaticContact CD1-CD2 3.79Å; Y75-Y531 HydrophobicContact CD1-CD2 3.79Å; Y75-Y531 HydrophobicContact CD1-CE1 4.04Å; Y75-Y531 AromaticContact CD1-CE2 3.91Å; Y75-Y531 HydrophobicContact CD1-CE2 3.91Å; Y75-Y531 AromaticContact CD1-CG 3.79Å; Y75-Y531 HydrophobicContact CD1-CG 3.79Å; Y75-Y531 HydrophobicContact CE1-CD2 4.21Å; Y75-Y531 HydrophobicContact CE1-CG 4.12Å; Y75-Y531 HydrophobicContact CG-CE2 4.27Å; G76-Y531 WeakPolarHBondContact O-CE1 3.44Å; G76-Y531 PolarHBondContact O-OH 3.2Å; L514-Y531 HydrophobicContact CD2-CE2 4.25Å; S529-Y531 VanDerWaalsContact C-N 3.29Å; S529-Y531 PolarHBondContact O-N 2.69Å; S529-Y531 PolarHBondContact OG-O 2.91Å; Y531-N533 VanDerWaalsContact C-N 3.3Å; Y531-N533 PolarHBondContact O-N 3.26Å; Y531-W573 AromaticContact CE2-CZ2 3.86Å; Y531-W573 HydrophobicContact CE2-CZ2 3.86Å; Y531-W573 AromaticContact CE2-NE1 3.85Å; Y531-W573 AromaticContact CZ-NE1 3.41Å; Y531-W573 PolarHBondContact OH-NE1 2.96Å; Y531-I575 VanDerWaalsContact OH-CB 3.3Å; Y531-I575 WeakPolarHBondContact OH-CB 3.16Å; Y531-I575 WeakPolarHBondContact OH-CG1 3.34Å; Y531-I575 WeakPolarHBondContact OH-CG2 3.39Å; Y531-D613 WeakPolarHBondContact CA-O 3.44Å; Y531-D613 VanDerWaalsContact CB-O 3.29Å; Y531-D613 WeakPolarHBondContact CB-O 3.39Å |
| 532 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 59.9 | 34.7 | 177.8 | -62.4 | 162.8 | 0 | 0 | 0 | 113.8 | P48 I65 Y75 E513 L514 | P48-L532 HydrophobicContact CG-CD2 4.39Å; I65-L532 HydrophobicContact CD1-CD1 3.42Å; I65-L532 VanDerWaalsContact CD1-CD1 3.42Å; I65-L532 HydrophobicContact CD1-CD2 3.98Å; I65-L532 HydrophobicContact CD1-CG 4.36Å; Y75-L532 HydrophobicContact CD1-CD1 4.43Å; Y75-L532 HydrophobicContact CD2-CD1 4.4Å; Y75-L532 HydrophobicContact CE1-CD1 4.16Å; Y75-L532 HydrophobicContact CE1-CD2 4.2Å; Y75-L532 HydrophobicContact CE1-CG 3.92Å; Y75-L532 HydrophobicContact CE2-CD1 4.1Å; Y75-L532 HydrophobicContact CE2-CD2 4.13Å; Y75-L532 HydrophobicContact CE2-CG 4.38Å; Y75-L532 WeakPolarHBondContact OH-CD2 3.22Å; E513-L532 VanDerWaalsContact CA-O 3.25Å; E513-L532 WeakPolarHBondContact CA-O 3.37Å; L514-L532 HydrophobicContact CB-CB 3.77Å; L514-L532 HydrophobicContact CB-CD1 3.86Å; L514-L532 HydrophobicContact CB-CG 4.47Å; L514-L532 HydrophobicContact CD2-CD1 3.72Å; L514-L532 HydrophobicContact CG-CD1 4.37Å; L514-L532 PolarHBondContact N-O 3.47Å |
| 533 | N | 90.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 24.2 Ų | 24.2 | 9% | 0.086 | 14% | 0.138 | C | C | . | . | trans | -85.4 | 151.1 | -175 | -75 | -44.1 | 0 | 0 | 0 | 114.7 | S529 Y531 M535 W607 T615 | S529-N533 PolarHBondContact O-ND2 3.28Å; S529-N533 PolarHBondContact O-OD1 3.02Å; Y531-N533 VanDerWaalsContact C-N 3.3Å; Y531-N533 PolarHBondContact O-N 3.26Å; N533-M535 VanDerWaalsContact C-N 3.33Å; N533-M535 PolarHBondContact O-N 3.38Å; N533-W607 HydrophobicContact CB-CH2 3.98Å; N533-W607 HydrophobicContact CB-CZ3 3.81Å; N533-T615 PolarHBondContact ND2-OG1 3.13Å | ||
| 534 | C | 89.2 | Confident | 91 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -77 | 67.6 | 179 | -169.6 | 0 | 0 | 0 | 0 | 113 | E513 D536 Y656 C657 | E513-C534 HydrophobicContact CB-CB 4.06Å; E513-C534 HydrophobicContact CG-CB 4.34Å; E513-C534 WeakPolarHBondContact OE2-CB 3.43Å; C534-D536 VanDerWaalsContact C-N 3.28Å; C534-D536 PolarHBondContact O-N 3.33Å; C534-Y656 HydrophobicContact CB-CD1 4.3Å; C534-Y656 WeakPolarHBondContact O-CD1 3.09Å; C534-C657 HydrophobicContact CB-CB 4.25Å; C534-C657 WeakPolarHBondContact CB-SG 3.26Å; C534-C657 WeakPolarHBondContact SG-CB 3.4Å; C534-C657 CovalentContact SG-SG 2.04Å; C534-C657 PolarHBondContact SG-SG 3.38Å | ||
| 535 | M | 86.9 | Confident | 91 | Very high | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -15.6 | -174.4 | -64.4 | -175.6 | -55.4 | 0 | 0 | 115.2 | Y45 N533 L597 H599 W607 T615 L1253 | Y45-M535 VanDerWaalsContact O-CE 3.26Å; Y45-M535 WeakPolarHBondContact O-CE 3.44Å; N533-M535 VanDerWaalsContact C-N 3.33Å; N533-M535 PolarHBondContact O-N 3.38Å; M535-L597 HydrophobicContact CB-CD1 4.09Å; M535-H599 PolarHBondContact O-CE1 3.07Å; M535-W607 HydrophobicContact CG-CD2 4.35Å; M535-W607 HydrophobicContact CG-CZ2 4.22Å; M535-T615 HydrophobicContact SD-CG2 4.26Å; M535-L1253 HydrophobicContact CE-CB 3.5Å; M535-L1253 VanDerWaalsContact CE-CB 3.5Å; M535-L1253 HydrophobicContact SD-CB 4.23Å |
| 536 | D | 83.9 | Confident | 90.9 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 9% | 0.091 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.4 | 23.1 | -171.2 | 77.8 | -42.7 | 0 | 0 | 0 | 113.5 | R512 C534 T538 V540 C1251 | R512-D536 IonicContact CZ-OD1 2.65Å; R512-D536 IonicContact NE-OD1 2.76Å; R512-D536 PolarHBondContact NH2-O 3.11Å; R512-D536 IonicContact NH2-OD1 2.76Å; R512-D536 PolarHBondContact NH2-OD1 3.16Å; R512-D536 IonicContact NH2-OD2 3.47Å; R512-D536 PolarHBondContact NH2-OD2 2.97Å; C534-D536 VanDerWaalsContact C-N 3.28Å; C534-D536 PolarHBondContact O-N 3.33Å; D536-T538 CarbonylContact C-O 3.37Å; D536-T538 CarbonylContact O-C 3.5Å; D536-T538 WeakPolarHBondContact O-CA 3.27Å; D536-T538 PolarHBondContact O-N 2.81Å; D536-V540 HydrophobicContact CB-CG2 4.01Å; D536-C1251 WeakPolarHBondContact OD1-CA 3.43Å; D536-C1251 WeakPolarHBondContact OD1-CB 3.39Å; D536-C1251 PolarHBondContact OD1-SG 2.91Å; D536-C1251 WeakPolarHBondContact OD2-CA 3.42Å; D536-C1251 PolarHBondContact OD2-SG 2.95Å |
| 537 | F | 80.3 | Confident | 90.7 | Very high | 17 Ų | 17 | 20.4 Ų | 20.4 | 8% | 0.075 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -34.6 | -44.9 | -175.4 | 62.4 | -81.1 | 0 | 0 | 0 | 114.4 | R512 H599 W603 T605 Y656 A660 | R512-F537 PolarHBondContact NH1-O 2.86Å; F537-H599 AromaticContact CD1-CE1 3.96Å; F537-H599 AromaticContact CE1-CD2 3.88Å; F537-H599 AromaticContact CE1-CE1 3.26Å; F537-H599 WeakPolarHBondContact CE1-CE1 3.44Å; F537-H599 AromaticContact CE1-CG 3.92Å; F537-H599 AromaticContact CE1-ND1 3.55Å; F537-H599 AromaticContact CE1-NE2 3.47Å; F537-H599 WeakPolarHBondContact CE1-NE2 3.36Å; F537-H599 HydrophobicContact CZ-CB 4.28Å; F537-H599 AromaticContact CZ-CD2 3.8Å; F537-H599 AromaticContact CZ-CE1 3.82Å; F537-H599 AromaticContact CZ-CG 3.65Å; F537-H599 AromaticContact CZ-ND1 3.67Å; F537-H599 AromaticContact CZ-NE2 3.91Å; F537-W603 HydrophobicContact CE1-CE3 4.4Å; F537-W603 HydrophobicContact CE2-CD2 4.13Å; F537-W603 AromaticContact CE2-CE3 3.51Å; F537-W603 HydrophobicContact CE2-CE3 3.51Å; F537-W603 AromaticContact CE2-CZ3 3.94Å; F537-W603 HydrophobicContact CE2-CZ3 3.94Å; F537-W603 HydrophobicContact CZ-CB 4.21Å; F537-W603 HydrophobicContact CZ-CD2 4.15Å; F537-W603 AromaticContact CZ-CE3 3.42Å; F537-W603 HydrophobicContact CZ-CE3 3.42Å; F537-W603 VanDerWaalsContact CZ-CE3 3.42Å; F537-W603 HydrophobicContact CZ-CZ3 4.14Å; F537-T605 HydrophobicContact CE1-CG2 3.82Å; F537-T605 HydrophobicContact CZ-CG2 4.25Å; F537-Y656 HydrophobicContact CD1-CD1 4.24Å; F537-Y656 AromaticContact CD1-CE1 3.68Å; F537-Y656 HydrophobicContact CD1-CE1 3.68Å; F537-Y656 HydrophobicContact CE1-CE1 4.01Å; F537-Y656 HydrophobicContact CG-CE1 4.39Å; F537-A660 HydrophobicContact CB-CB 4.11Å; F537-A660 HydrophobicContact CD2-CB 3.45Å; F537-A660 VanDerWaalsContact CD2-CB 3.45Å; F537-A660 HydrophobicContact CE2-CB 4.08Å; F537-A660 HydrophobicContact CG-CB 3.8Å |
| 538 | T | 86.3 | Confident | 90.4 | Very high | 15 Ų | 15 | 23.7 Ų | 23.7 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -115.9 | 148.7 | 157.5 | 56.3 | 0 | 0 | 0 | 0 | 110.2 | D536 V540 H599 N601 Y668 | D536-T538 CarbonylContact C-O 3.37Å; D536-T538 CarbonylContact O-C 3.5Å; D536-T538 WeakPolarHBondContact O-CA 3.27Å; D536-T538 PolarHBondContact O-N 2.81Å; T538-V540 PolarHBondContact O-N 2.87Å; T538-H599 PolarHBondContact O-ND1 2.99Å; T538-N601 HydrophobicContact CG2-CB 4.3Å; T538-N601 PolarHBondContact OG1-OD1 2.64Å; T538-Y668 HydrophobicContact CG2-CE1 4.5Å |
| 539 | P | 88.9 | Confident | 90.4 | Very high | 84 Ų | 84 | 21.2 Ų | 21.2 | 55% | 0.545 | 12% | 0.121 | S | C | . | . | trans | -46.7 | 127.6 | -173.6 | -31.1 | 34.1 | 0 | 0 | 0 | 113.9 | S600 | P539-S600 VanDerWaalsContact CD-OG 3.31Å; P539-S600 WeakPolarHBondContact CD-OG 3.25Å; P539-S600 WeakPolarHBondContact O-CB 3.49Å; P539-S600 PolarHBondContact O-N 2.98Å; P539-S600 PolarHBondContact O-OG 3.33Å | ||
| 540 | V | 92.8 | Very high | 90.3 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.6 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 108.9 | D536 T538 A542 L597 G598 L1233 | D536-V540 HydrophobicContact CB-CG2 4.01Å; T538-V540 PolarHBondContact O-N 2.87Å; V540-A542 VanDerWaalsContact CG1-O 3.27Å; V540-A542 WeakPolarHBondContact CG1-O 3.3Å; V540-L597 HydrophobicContact CG1-CB 4.21Å; V540-L597 HydrophobicContact CG1-CD2 4.21Å; V540-L597 HydrophobicContact CG2-CD1 4.49Å; V540-G598 CarbonylContact C-O 3.56Å; V540-L1233 HydrophobicContact CG1-CD1 4.05Å |
| 541 | T | 94.7 | Very high | 90.1 | Very high | 51 Ų | 51 | 25.4 Ų | 25.4 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | -13.2 | -175.8 | 48.6 | 0 | 0 | 0 | 0 | 113.1 | G598 S600 I674 L1233 | T541-G598 PolarHBondContact N-O 2.66Å; T541-G598 PolarHBondContact OG1-O 2.65Å; T541-S600 PolarHBondContact OG1-N 3.12Å; T541-I674 CarbonylContact C-O 3.39Å; T541-I674 WeakPolarHBondContact CB-O 3.27Å; T541-I674 PolarHBondContact OG1-O 2.85Å; T541-L1233 VanDerWaalsContact C-CD1 3.5Å |
| 542 | A | 95.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 28 Ų | 28 | 7% | 0.066 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 153.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V540 G598 I674 L677 | V540-A542 VanDerWaalsContact CG1-O 3.27Å; V540-A542 WeakPolarHBondContact CG1-O 3.3Å; A542-G598 PolarHBondContact N-O 2.87Å; A542-G598 PolarHBondContact O-N 2.85Å; A542-I674 HydrophobicContact CB-CG2 4.06Å; A542-L677 HydrophobicContact CB-CD1 4.03Å; A542-L677 HydrophobicContact CB-CG 3.98Å |
| 543 | I | 96.1 | Very high | 89.5 | Confident | 26 Ų | 26 | 28 Ų | 28 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 140.9 | 173.8 | 179.3 | 167.2 | 0 | 0 | 0 | 109.3 | I595 V596 L597 L1233 C1235 F1246 L1253 | I543-I595 HydrophobicContact CD1-CG2 4.26Å; I543-I595 HydrophobicContact CG1-CG2 4.34Å; I543-V596 WeakPolarHBondContact CA-O 3.41Å; I543-L597 HydrophobicContact CB-CD2 4.24Å; I543-L597 HydrophobicContact CD1-CD2 3.89Å; I543-L597 HydrophobicContact CG1-CD2 3.89Å; I543-L1233 HydrophobicContact CG2-CB 3.64Å; I543-L1233 HydrophobicContact CG2-CD1 4.42Å; I543-C1235 HydrophobicContact CD1-CB 4.19Å; I543-C1235 HydrophobicContact CG1-CB 4.08Å; I543-C1235 HydrophobicContact CG2-CB 4.05Å; I543-F1246 HydrophobicContact CD1-CB 4.31Å; I543-L1253 HydrophobicContact CD1-CD1 3.74Å |
| 544 | T | 95 | Very high | 89.5 | Confident | 23 Ų | 23 | 28.1 Ų | 28.1 | 14% | 0.141 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 162.4 | 167.1 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | V596 L677 V679 | T544-V596 HydrophobicContact CG2-CB 3.81Å; T544-V596 HydrophobicContact CG2-CG2 4.28Å; T544-V596 PolarHBondContact N-O 2.97Å; T544-V596 PolarHBondContact O-N 3.22Å; T544-L677 HydrophobicContact CG2-CB 3.59Å; T544-L677 HydrophobicContact CG2-CD1 4.41Å; T544-V679 HydrophobicContact CG2-CB 4.3Å; T544-V679 HydrophobicContact CG2-CG1 3.7Å |
| 545 | H | 93.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 33.1 Ų | 33.1 | 10% | 0.097 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 142.2 | -171.7 | 168.2 | -116.5 | 0 | 0 | 0 | 110.4 | D593 I595 A1237 F1246 | H545-D593 IonicContact CD2-OD1 3.62Å; H545-D593 IonicContact CE1-OD1 3.42Å; H545-D593 PolarHBondContact CE1-OD1 3.44Å; H545-D593 IonicContact NE2-OD1 2.69Å; H545-D593 PolarHBondContact NE2-OD1 2.98Å; H545-I595 HydrophobicContact CB-CD1 3.7Å; H545-A1237 WeakPolarHBondContact ND1-CB 3.38Å; H545-F1246 HydrophobicContact CB-CD2 4.31Å; H545-F1246 HydrophobicContact CB-CE2 4.12Å; H545-F1246 AromaticContact CD2-CE2 3.49Å; H545-F1246 VanDerWaalsContact CD2-CE2 3.49Å; H545-F1246 WeakPolarHBondContact CD2-CE2 3.14Å; H545-F1246 AromaticContact CD2-CZ 3.59Å; H545-F1246 AromaticContact CE1-CE2 3.94Å; H545-F1246 AromaticContact CG-CE2 3.51Å; H545-F1246 AromaticContact ND1-CE2 3.81Å; H545-F1246 AromaticContact NE2-CE2 3.77Å; H545-F1246 AromaticContact NE2-CZ 3.76Å |
| 546 | I | 91.6 | Very high | 89.2 | Confident | 24 Ų | 24 | 36.1 Ų | 36.1 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 123.5 | 166.3 | -168.9 | 161.4 | 0 | 0 | 0 | 110 | V549 V594 V679 L681 | I546-V549 HydrophobicContact CG1-CG2 4.4Å; I546-V549 HydrophobicContact CG2-CG2 3.84Å; I546-V594 HydrophobicContact CG2-CB 4.02Å; I546-V594 PolarHBondContact N-O 2.6Å; I546-V594 PolarHBondContact O-N 3.47Å; I546-V679 HydrophobicContact CB-CG1 3.92Å; I546-V679 HydrophobicContact CD1-CG1 4.49Å; I546-V679 HydrophobicContact CG2-CG1 3.91Å; I546-V679 HydrophobicContact CG2-CG2 4.24Å; I546-L681 HydrophobicContact CD1-CD2 4.42Å; I546-L681 HydrophobicContact CD1-CG 3.87Å |
| 547 | G | 88.3 | Confident | 89.2 | Confident | 6 Ų | 6 | 35.7 Ų | 35.7 | 6% | 0.062 | 20% | 0.202 | C | C | . | . | trans | -96 | 172.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V549 | G547-V549 PolarHBondContact O-N 2.91Š| ||
| 548 | Q | 86.4 | Confident | 89.5 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 61.2 | 27.7 | 175.7 | -57.1 | 167.2 | 21.3 | 0 | 0 | 113.4 | G591 | Q548-G591 WeakPolarHBondContact CA-O 3.27Å; Q548-G591 PolarHBondContact N-O 2.88Å |
| 549 | V | 89.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | trans | -64.5 | 132.8 | 175.9 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | I546 G547 L553 I554 N592 V594 L681 | I546-V549 HydrophobicContact CG1-CG2 4.4Å; I546-V549 HydrophobicContact CG2-CG2 3.84Å; G547-V549 PolarHBondContact O-N 2.91Å; V549-L553 HydrophobicContact CG1-CB 4.48Å; V549-L553 HydrophobicContact CG1-CD2 4.17Å; V549-L553 HydrophobicContact CG1-CG 4.41Å; V549-I554 HydrophobicContact CB-CD1 4.14Å; V549-I554 HydrophobicContact CB-CG1 4.13Å; V549-I554 HydrophobicContact CG1-CD1 4.26Å; V549-I554 HydrophobicContact CG1-CG1 3.69Å; V549-N592 PolarHBondContact N-O 2.98Å; V549-N592 VanDerWaalsContact O-CB 3.26Å; V549-N592 WeakPolarHBondContact O-CB 3.45Å; V549-V594 HydrophobicContact CB-CG2 4.12Å; V549-V594 HydrophobicContact CG1-CG2 4.31Å; V549-V594 HydrophobicContact CG2-CB 4.08Å; V549-V594 HydrophobicContact CG2-CG2 3.73Å; V549-L681 HydrophobicContact CG1-CD2 4.17Å; V549-L681 HydrophobicContact CG2-CD2 4.37Å | ||
| 550 | P | 88.9 | Confident | 88.5 | Confident | 35 Ų | 35 | 37 Ų | 37 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | trans | -56.7 | 128.1 | 179.1 | -27.3 | 35.1 | 0 | 0 | 0 | 111.8 | A552 L553 I554 | P550-A552 PolarHBondContact O-N 3.33Å; P550-A552 VanDerWaalsContact O-N 3.12Å; P550-L553 HydrophobicContact CB-CB 4.24Å; P550-L553 WeakPolarHBondContact O-CA 3.35Å; P550-L553 WeakPolarHBondContact O-CB 3.38Å; P550-L553 PolarHBondContact O-N 2.96Å; P550-I554 PolarHBondContact O-N 3.19Å; P550-I554 VanDerWaalsContact O-N 3.12Å | ||
| 551 | P | 88.1 | Confident | 87.7 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.7 | -31.7 | -179.8 | -29.4 | 36.1 | 0 | 0 | 0 | 114 | L553 I554 H555 | P551-L553 VanDerWaalsContact C-N 3.32Å; P551-L553 PolarHBondContact O-N 2.91Å; P551-I554 PolarHBondContact O-N 3.21Å; P551-H555 WeakPolarHBondContact O-CB 3.46Å; P551-H555 PolarHBondContact O-N 3.16Å |
| 552 | A | 86.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 36.8 Ų | 36.8 | 44% | 0.438 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.7 | -32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P550 R556 | P550-A552 PolarHBondContact O-N 3.33Å; P550-A552 VanDerWaalsContact O-N 3.12Å; A552-R556 WeakPolarHBondContact O-CG 3.27Å; A552-R556 PolarHBondContact O-N 3.18Å |
| 553 | L | 87 | Confident | 85.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.4 | -47 | 173.6 | 177.9 | 56.7 | 0 | 0 | 0 | 110.3 | V549 P550 P551 H555 R556 L557 L681 L698 | V549-L553 HydrophobicContact CG1-CB 4.48Å; V549-L553 HydrophobicContact CG1-CD2 4.17Å; V549-L553 HydrophobicContact CG1-CG 4.41Å; P550-L553 HydrophobicContact CB-CB 4.24Å; P550-L553 WeakPolarHBondContact O-CA 3.35Å; P550-L553 WeakPolarHBondContact O-CB 3.38Å; P550-L553 PolarHBondContact O-N 2.96Å; P551-L553 VanDerWaalsContact C-N 3.32Å; P551-L553 PolarHBondContact O-N 2.91Å; L553-H555 VanDerWaalsContact C-N 3.29Å; L553-H555 PolarHBondContact O-N 2.93Å; L553-R556 PolarHBondContact O-N 2.67Å; L553-L557 HydrophobicContact CD1-CD1 3.96Å; L553-L557 HydrophobicContact CD1-CD2 4.3Å; L553-L557 HydrophobicContact CD1-CG 3.95Å; L553-L557 HydrophobicContact CG-CD1 3.93Å; L553-L557 HydrophobicContact CG-CG 4.38Å; L553-L557 VanDerWaalsContact O-CG 3.25Å; L553-L557 WeakPolarHBondContact O-CG 3.47Å; L553-L557 PolarHBondContact O-N 3.05Å; L553-L681 HydrophobicContact CD2-CD2 4.05Å; L553-L698 HydrophobicContact CD2-CB 4.19Å |
| 554 | I | 89.3 | Confident | 83.3 | Confident | 20 Ų | 20 | 43.9 Ų | 43.9 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.1 | -48.3 | 174.3 | -61.6 | -179.6 | 0 | 0 | 0 | 110.5 | V549 P550 P551 R556 L557 H558 N592 V594 A608 L618 | V549-I554 HydrophobicContact CB-CD1 4.14Å; V549-I554 HydrophobicContact CB-CG1 4.13Å; V549-I554 HydrophobicContact CG1-CD1 4.26Å; V549-I554 HydrophobicContact CG1-CG1 3.69Å; P550-I554 PolarHBondContact O-N 3.19Å; P550-I554 VanDerWaalsContact O-N 3.12Å; P551-I554 PolarHBondContact O-N 3.21Å; I554-R556 PolarHBondContact O-N 3.16Å; I554-L557 PolarHBondContact O-N 3Å; I554-H558 WeakPolarHBondContact O-CB 3.5Å; I554-H558 PolarHBondContact O-N 2.87Å; I554-N592 HydrophobicContact CD1-CB 4.04Å; I554-V594 HydrophobicContact CD1-CG2 4.33Å; I554-V594 HydrophobicContact CG1-CG2 4.36Å; I554-A608 HydrophobicContact CG2-CB 3.93Å; I554-L618 HydrophobicContact CG2-CD1 4.29Å; I554-L618 HydrophobicContact CG2-CD2 3.87Å |
| 555 | H | 86.9 | Confident | 81.8 | Confident | 104 Ų | 104 | 43.8 Ų | 43.8 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.2 | -41.9 | -178.1 | -172.1 | 44.1 | 0 | 0 | 0 | 113 | P551 L553 H558 Q559 | P551-H555 WeakPolarHBondContact O-CB 3.46Å; P551-H555 PolarHBondContact O-N 3.16Å; L553-H555 VanDerWaalsContact C-N 3.29Å; L553-H555 PolarHBondContact O-N 2.93Å; H555-H558 PolarHBondContact O-N 2.92Å; H555-Q559 PolarHBondContact CE1-NE2 3.48Å; H555-Q559 PolarHBondContact NE2-NE2 2.98Å; H555-Q559 WeakPolarHBondContact O-CB 3.33Å; H555-Q559 WeakPolarHBondContact O-CG 3.28Å; H555-Q559 PolarHBondContact O-N 2.87Å |
| 556 | R | 82.6 | Confident | 80 | Confident | 69 Ų | 69 | 50 Ų | 50 | 26% | 0.26 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 174.9 | -75.9 | -165.5 | -55.1 | -97.9 | -3.6 | 112.8 | A552 L553 I554 H558 Q559 A560 D696 | A552-R556 WeakPolarHBondContact O-CG 3.27Å; A552-R556 PolarHBondContact O-N 3.18Å; L553-R556 PolarHBondContact O-N 2.67Å; I554-R556 PolarHBondContact O-N 3.16Å; R556-H558 VanDerWaalsContact C-N 3.33Å; R556-Q559 PolarHBondContact O-N 2.81Å; R556-A560 WeakPolarHBondContact O-CB 3.45Å; R556-A560 PolarHBondContact O-N 3.15Å; R556-D696 IonicContact CZ-OD2 3.19Å; R556-D696 IonicContact NH1-OD2 3.2Å; R556-D696 PolarHBondContact NH1-OD2 3.38Å; R556-D696 VanDerWaalsContact NH2-CB 3.34Å; R556-D696 PolarHBondContact NH2-O 3.14Å; R556-D696 IonicContact NH2-OD2 3.84Å; R556-D696 PolarHBondContact NH2-OD2 3.15Å |
| 557 | L | 84.9 | Confident | 79.3 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 177 | -64.9 | 169.5 | 0 | 0 | 0 | 110.5 | L553 I554 A560 A561 L618 A714 L771 | L553-L557 HydrophobicContact CD1-CD1 3.96Å; L553-L557 HydrophobicContact CD1-CD2 4.3Å; L553-L557 HydrophobicContact CD1-CG 3.95Å; L553-L557 HydrophobicContact CG-CD1 3.93Å; L553-L557 HydrophobicContact CG-CG 4.38Å; L553-L557 VanDerWaalsContact O-CG 3.25Å; L553-L557 WeakPolarHBondContact O-CG 3.47Å; L553-L557 PolarHBondContact O-N 3.05Å; I554-L557 PolarHBondContact O-N 3Å; L557-A560 PolarHBondContact O-N 3.42Å; L557-A561 WeakPolarHBondContact O-CB 3.26Å; L557-A561 PolarHBondContact O-N 2.87Å; L557-L618 HydrophobicContact CB-CB 4.09Å; L557-L618 HydrophobicContact CB-CD2 4.42Å; L557-L618 HydrophobicContact CD1-CD1 4.37Å; L557-A714 HydrophobicContact CD2-CB 3.91Å; L557-L771 HydrophobicContact CB-CD1 3.99Å; L557-L771 HydrophobicContact CD2-CD1 3.72Å; L557-L771 HydrophobicContact CD2-CD2 3.92Å; L557-L771 HydrophobicContact CD2-CG 4.05Å; L557-L771 HydrophobicContact CG-CD1 4.45Å; L557-L771 WeakPolarHBondContact O-CD1 3.26Å |
| 558 | H | 85.3 | Confident | 79 | Confident | 35 Ų | 35 | 52 Ų | 52 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 175.5 | -179.3 | -133.3 | 0 | 0 | 0 | 112.9 | D528 I554 H555 R556 A560 A561 Q562 I616 H617 L618 | D528-H558 IonicContact OD2-CD2 2.73Å; D528-H558 IonicContact OD2-CE1 2.77Å; D528-H558 IonicContact OD2-NE2 3.39Å; D528-H558 PolarHBondContact OD2-NE2 3.15Å; I554-H558 WeakPolarHBondContact O-CB 3.5Å; I554-H558 PolarHBondContact O-N 2.87Å; H555-H558 PolarHBondContact O-N 2.92Å; R556-H558 VanDerWaalsContact C-N 3.33Å; H558-A560 PolarHBondContact O-N 2.77Å; H558-A561 WeakPolarHBondContact O-CB 3.43Å; H558-A561 PolarHBondContact O-N 3.36Å; H558-A561 VanDerWaalsContact O-N 3.16Å; H558-Q562 PolarHBondContact CE1-NE2 2.95Å; H558-Q562 VanDerWaalsContact CE1-NE2 3.31Å; H558-Q562 PolarHBondContact NE2-NE2 3.34Å; H558-Q562 PolarHBondContact O-N 3Å; H558-Q562 VanDerWaalsContact O-N 3.11Å; H558-I616 HydrophobicContact CB-CG2 4.09Å; H558-I616 WeakPolarHBondContact CD2-CG2 3.19Å; H558-H617 PolarHBondContact CD2-O 2.86Å; H558-L618 HydrophobicContact CB-CD2 3.92Å |
| 559 | Q | 80 | Confident | 79.1 | Confident | 89 Ų | 89 | 48.5 Ų | 48.5 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 174.9 | -77.7 | 178.4 | -31.4 | 0 | 0 | 111.9 | H555 R556 A561 Q562 I563 | H555-Q559 PolarHBondContact CE1-NE2 3.48Å; H555-Q559 PolarHBondContact NE2-NE2 2.98Å; H555-Q559 WeakPolarHBondContact O-CB 3.33Å; H555-Q559 WeakPolarHBondContact O-CG 3.28Å; H555-Q559 PolarHBondContact O-N 2.87Å; R556-Q559 PolarHBondContact O-N 2.81Å; Q559-A561 VanDerWaalsContact C-N 3.33Å; Q559-A561 PolarHBondContact O-N 3.28Å; Q559-Q562 PolarHBondContact O-N 3.04Å; Q559-I563 VanDerWaalsContact O-CG1 3.3Å; Q559-I563 WeakPolarHBondContact O-CG1 3.36Å; Q559-I563 PolarHBondContact O-N 3.09Å |
| 560 | A | 75.5 | Confident | 78.9 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | R556 L557 H558 Q562 I563 T769 G770 L771 | R556-A560 WeakPolarHBondContact O-CB 3.45Å; R556-A560 PolarHBondContact O-N 3.15Å; L557-A560 PolarHBondContact O-N 3.42Å; H558-A560 PolarHBondContact O-N 2.77Å; A560-Q562 VanDerWaalsContact C-N 3.25Å; A560-Q562 PolarHBondContact O-N 2.91Å; A560-I563 PolarHBondContact O-N 2.82Å; A560-T769 CarbonylContact C-O 3.52Å; A560-T769 CarbonylContact O-C 3.51Å; A560-G770 CarbonylContact O-C 3.58Å; A560-G770 WeakPolarHBondContact O-CA 3.38Å; A560-L771 HydrophobicContact CB-CB 3.59Å; A560-L771 HydrophobicContact CB-CD1 4.35Å; A560-L771 HydrophobicContact CB-CG 3.76Å |
| 561 | A | 76.5 | Confident | 78.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.2 | -34 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L557 H558 Q559 T769 | L557-A561 WeakPolarHBondContact O-CB 3.26Å; L557-A561 PolarHBondContact O-N 2.87Å; H558-A561 WeakPolarHBondContact O-CB 3.43Å; H558-A561 PolarHBondContact O-N 3.36Å; H558-A561 VanDerWaalsContact O-N 3.16Å; Q559-A561 VanDerWaalsContact C-N 3.33Å; Q559-A561 PolarHBondContact O-N 3.28Å; A561-T769 WeakPolarHBondContact CA-O 3.49Å; A561-T769 PolarHBondContact N-O 3.25Å |
| 562 | Q | 73.7 | Confident | 78.7 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 28% | 0.276 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -80.9 | -30.4 | 178.9 | -69.1 | -177.7 | -27.9 | 0 | 0 | 113.8 | D528 H558 Q559 A560 T564 S565 | D528-Q562 PolarHBondContact OD2-NE2 2.82Å; H558-Q562 PolarHBondContact CE1-NE2 2.95Å; H558-Q562 VanDerWaalsContact CE1-NE2 3.31Å; H558-Q562 PolarHBondContact NE2-NE2 3.34Å; H558-Q562 PolarHBondContact O-N 3Å; H558-Q562 VanDerWaalsContact O-N 3.11Å; Q559-Q562 PolarHBondContact O-N 3.04Å; A560-Q562 VanDerWaalsContact C-N 3.25Å; A560-Q562 PolarHBondContact O-N 2.91Å; Q562-T564 VanDerWaalsContact C-N 3.25Å; Q562-T564 PolarHBondContact O-N 3.41Å; Q562-T564 VanDerWaalsContact O-N 3.1Å; Q562-S565 PolarHBondContact O-N 2.66Å; Q562-S565 PolarHBondContact O-OG 3.37Å |
| 563 | I | 63.5 | Low | 79 | Confident | 124 Ų | 124 | 57.4 Ų | 57.4 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.3 | -21.1 | -168.3 | -82.4 | 165.9 | 0 | 0 | 0 | 115 | Q559 A560 | Q559-I563 VanDerWaalsContact O-CG1 3.3Å; Q559-I563 WeakPolarHBondContact O-CG1 3.36Å; Q559-I563 PolarHBondContact O-N 3.09Å; A560-I563 PolarHBondContact O-N 2.82Å |
| 564 | T | 56.7 | Low | 79.2 | Confident | 58 Ų | 58 | 58 Ų | 58 | 36% | 0.356 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | 8.9 | 175.6 | 58 | 0 | 0 | 0 | 0 | 113.9 | Q562 P768 T769 G770 | Q562-T564 VanDerWaalsContact C-N 3.25Å; Q562-T564 PolarHBondContact O-N 3.41Å; Q562-T564 VanDerWaalsContact O-N 3.1Å; T564-P768 PolarHBondContact OG1-O 2.87Å; T564-T769 WeakPolarHBondContact OG1-CA 3.35Å; T564-T769 PolarHBondContact OG1-N 2.88Å; T564-T769 VanDerWaalsContact OG1-N 3.11Å; T564-G770 VanDerWaalsContact CG2-CA 3.42Å; T564-G770 PolarHBondContact OG1-N 2.85Å |
| 565 | S | 63.3 | Low | 79.3 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | trans | -99.4 | 78.3 | 162.3 | 49.1 | 0 | 0 | 0 | 0 | 108.3 | Q562 D567 I568 | Q562-S565 PolarHBondContact O-N 2.66Å; Q562-S565 PolarHBondContact O-OG 3.37Å; S565-D567 PolarHBondContact O-N 3.11Å; S565-I568 PolarHBondContact O-N 3.02Å; S565-I568 WeakPolarHBondContact OG-CD1 3.45Å; S565-I568 WeakPolarHBondContact OG-CG1 3.29Å | ||
| 566 | D | 56.6 | Low | 79.4 | Confident | 151 Ų | 151 | 53.8 Ų | 53.8 | 81% | 0.807 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -24.2 | 175.9 | -54.5 | -34.5 | 0 | 0 | 0 | 112.3 | I568 | D566-I568 VanDerWaalsContact C-N 3.34Å; D566-I568 PolarHBondContact O-N 3.44Å |
| 567 | D | 76.5 | Confident | 79.5 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 14.7 | 174.1 | -84.4 | 6.6 | 0 | 0 | 0 | 115.5 | V526 S565 R652 R659 | V526-D567 WeakPolarHBondContact CB-O 3.4Å; V526-D567 PolarHBondContact N-O 3.06Å; S565-D567 PolarHBondContact O-N 3.11Å; D567-R652 IonicContact OD1-CZ 3.35Å; D567-R652 IonicContact OD1-NE 3.74Å; D567-R652 PolarHBondContact OD1-NE 2.89Å; D567-R652 IonicContact OD1-NH2 2.68Å; D567-R652 PolarHBondContact OD1-NH2 3.46Å; D567-R652 IonicContact OD2-CZ 3.88Å; D567-R652 IonicContact OD2-NE 3.54Å; D567-R652 PolarHBondContact OD2-NE 2.87Å; D567-R652 IonicContact OD2-NH2 2.71Å; D567-R659 IonicContact OD2-NH2 2.73Å |
| 568 | I | 82.5 | Confident | 79.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.179 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -106.4 | 130.6 | 178.3 | -69.8 | -171.3 | 0 | 0 | 0 | 113.4 | V526 D528 S565 D566 | V526-I568 CarbonylContact O-C 3.54Å; V526-I568 VanDerWaalsContact O-CA 3.28Å; V526-I568 WeakPolarHBondContact O-CA 3.5Å; D528-I568 HydrophobicContact CB-CD1 4.31Å; D528-I568 HydrophobicContact CB-CG2 4.36Å; S565-I568 PolarHBondContact O-N 3.02Å; S565-I568 WeakPolarHBondContact OG-CD1 3.45Å; S565-I568 WeakPolarHBondContact OG-CG1 3.29Å; D566-I568 VanDerWaalsContact C-N 3.34Å; D566-I568 PolarHBondContact O-N 3.44Å |
| 569 | T | 87.8 | Confident | 78.7 | Confident | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | trans | -77.7 | 148 | 173.3 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | D518 V526 Y527 C571 | D518-T569 HydrophobicContact CB-CG2 4.02Å; D518-T569 WeakPolarHBondContact OD2-CB 3.32Å; D518-T569 PolarHBondContact OD2-OG1 2.89Å; V526-T569 PolarHBondContact O-N 2.88Å; Y527-T569 HydrophobicContact CD1-CG2 3.26Å; Y527-T569 HydrophobicContact CD2-CG2 4.2Å; Y527-T569 HydrophobicContact CE1-CG2 3.56Å; Y527-T569 HydrophobicContact CE2-CG2 4.45Å; Y527-T569 HydrophobicContact CG-CG2 3.61Å; T569-C571 VanDerWaalsContact C-N 3.29Å; T569-C571 HydrophobicContact CG2-CB 4.08Å; T569-C571 WeakPolarHBondContact OG1-CB 3.42Å; T569-C571 PolarHBondContact OG1-N 2.87Å | ||
| 570 | N | 85 | Confident | 77.6 | Confident | 167 Ų | 167 | 49.6 Ų | 49.6 | 89% | 0.893 | 28% | 0.282 | S | S | * | . | trans | -86 | 0.3 | 170.8 | -70.5 | -80.2 | 0 | 0 | 0 | 112.8 | ||||
| 571 | C | 86.6 | Confident | 76.8 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 37% | 0.365 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -71.8 | 148.1 | 177.5 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | D518 Y527 T569 | D518-C571 PolarHBondContact OD2-SG 3.45Å; Y527-C571 HydrophobicContact CD1-CB 4.48Å; Y527-C571 HydrophobicContact CE1-CB 3.7Å; T569-C571 VanDerWaalsContact C-N 3.29Å; T569-C571 HydrophobicContact CG2-CB 4.08Å; T569-C571 WeakPolarHBondContact OG1-CB 3.42Å; T569-C571 PolarHBondContact OG1-N 2.87Å |
| 572 | S | 87.1 | Confident | 76 | Confident | 106 Ų | 106 | 57.8 Ų | 57.8 | 74% | 0.741 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 145.6 | 175.4 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | Y527 | Y527-S572 WeakPolarHBondContact CE1-O 3.36Š|
| 573 | W | 91.4 | Very high | 75.4 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 11% | 0.114 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 129.2 | 180 | -178.5 | -109.3 | 0 | 0 | 0 | 112.5 | L514 A516 Y527 S529 P530 Y531 I575 | L514-W573 HydrophobicContact CD2-CH2 4.18Å; L514-W573 HydrophobicContact CD2-CZ2 3.93Å; A516-W573 HydrophobicContact CB-CH2 3.67Å; A516-W573 HydrophobicContact CB-CZ3 3.65Å; Y527-W573 HydrophobicContact CG-CE3 4.42Å; S529-W573 WeakPolarHBondContact OG-CH2 3.32Å; P530-W573 HydrophobicContact CG-CD2 3.67Å; P530-W573 HydrophobicContact CG-CE3 4.24Å; P530-W573 HydrophobicContact CG-CG 3.76Å; P530-W573 HydrophobicContact CG-CZ2 4.39Å; Y531-W573 AromaticContact CE2-CZ2 3.86Å; Y531-W573 HydrophobicContact CE2-CZ2 3.86Å; Y531-W573 AromaticContact CE2-NE1 3.85Å; Y531-W573 AromaticContact CZ-NE1 3.41Å; Y531-W573 PolarHBondContact OH-NE1 2.96Å; W573-I575 VanDerWaalsContact C-N 3.28Å; W573-I575 HydrophobicContact CZ2-CG1 4.28Å; W573-I575 PolarHBondContact O-N 3.46Å |
| 574 | P | 91.3 | Very high | 75.4 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 8% | 0.084 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -79.9 | 4.4 | -167.3 | 30.9 | -36.3 | 0 | 0 | 0 | 115.1 | T505 L507 A516 Y527 W576 | T505-P574 HydrophobicContact CG2-CB 4.09Å; T505-P574 HydrophobicContact CG2-CG 3.67Å; T505-P574 WeakPolarHBondContact OG1-CB 3.19Å; L507-P574 HydrophobicContact CD2-CG 4.43Å; A516-P574 HydrophobicContact CB-CG 4.37Å; Y527-P574 HydrophobicContact CD1-CG 4.43Å; Y527-P574 HydrophobicContact CD2-CG 4.01Å; Y527-P574 HydrophobicContact CE1-CG 4.27Å; Y527-P574 HydrophobicContact CE2-CB 4.47Å; Y527-P574 HydrophobicContact CE2-CG 3.82Å; Y527-P574 HydrophobicContact CG-CG 4.31Å; P574-W576 WeakPolarHBondContact O-CZ3 3.37Å |
| 575 | I | 92.1 | Very high | 76.1 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | trans | -98.3 | 98.2 | 167 | -50.8 | -58.2 | 0 | 0 | 0 | 108.4 | F56 G61 L63 G76 S77 L507 Y531 W573 | F56-I575 HydrophobicContact CD2-CD1 4.14Å; F56-I575 HydrophobicContact CE2-CD1 3.77Å; G61-I575 WeakPolarHBondContact O-CG2 3.42Å; L63-I575 HydrophobicContact CB-CD1 3.99Å; L63-I575 HydrophobicContact CB-CG1 4.38Å; L63-I575 HydrophobicContact CB-CG2 4.37Å; L63-I575 HydrophobicContact CD1-CD1 4.35Å; L63-I575 HydrophobicContact CD2-CD1 4.29Å; L63-I575 HydrophobicContact CD2-CG1 4.43Å; L63-I575 HydrophobicContact CG-CD1 4.46Å; G76-I575 WeakPolarHBondContact O-CG2 3.45Å; S77-I575 WeakPolarHBondContact CA-O 3.44Å; L507-I575 HydrophobicContact CD1-CD1 3.7Å; Y531-I575 VanDerWaalsContact OH-CB 3.3Å; Y531-I575 WeakPolarHBondContact OH-CB 3.16Å; Y531-I575 WeakPolarHBondContact OH-CG1 3.34Å; Y531-I575 WeakPolarHBondContact OH-CG2 3.39Å; W573-I575 VanDerWaalsContact C-N 3.28Å; W573-I575 HydrophobicContact CZ2-CG1 4.28Å; W573-I575 PolarHBondContact O-N 3.46Å | ||
| 576 | W | 88 | Confident | 76.4 | Confident | 34 Ų | 34 | 59.1 Ų | 59.1 | 13% | 0.129 | 34% | 0.341 | C | S | . | . | trans | -90.7 | -5.5 | -172.8 | 62.5 | 86 | 0 | 0 | 0 | 114.9 | F56 E58 G61 V478 P479 E481 P574 | F56-W576 HydrophobicContact CE1-CH2 4.4Å; F56-W576 AromaticContact CZ-CH2 3.87Å; F56-W576 HydrophobicContact CZ-CH2 3.87Å; F56-W576 HydrophobicContact CZ-CZ2 4.39Å; F56-W576 HydrophobicContact CZ-CZ3 4.14Å; E58-W576 WeakPolarHBondContact O-CZ2 3.32Å; G61-W576 VanDerWaalsContact CA-CE2 3.49Å; V478-W576 HydrophobicContact CG1-CH2 4.41Å; V478-W576 HydrophobicContact CG1-CZ3 3.91Å; P479-W576 WeakPolarHBondContact O-CH2 3.46Å; P479-W576 VanDerWaalsContact O-CZ3 3.32Å; P479-W576 WeakPolarHBondContact O-CZ3 3.5Å; E481-W576 HydrophobicContact CB-CD2 3.9Å; E481-W576 HydrophobicContact CB-CE3 4Å; E481-W576 HydrophobicContact CB-CG 4.24Å; E481-W576 HydrophobicContact CB-CZ3 4.42Å; E481-W576 HydrophobicContact CG-CB 4.37Å; E481-W576 HydrophobicContact CG-CD2 3.92Å; E481-W576 HydrophobicContact CG-CG 3.82Å; P574-W576 WeakPolarHBondContact O-CZ3 3.37Å | ||
| 577 | G | 86.4 | Confident | 77.3 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | trans | -69.9 | 150.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L60 G61 G76 S77 | L60-G577 WeakPolarHBondContact O-CA 3.35Å; G61-G577 WeakPolarHBondContact O-CA 3.42Å; G61-G577 PolarHBondContact O-N 3.47Å; G76-G577 CarbonylContact C-O 3.54Å; G76-G577 WeakPolarHBondContact CA-O 3.39Å; S77-G577 PolarHBondContact N-O 2.84Å; S77-G577 PolarHBondContact OG-O 2.9Å | ||
| 578 | G | 80.1 | Confident | 77.1 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | trans | 79.5 | 140 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S77 | S77-G578 PolarHBondContact OG-O 3.32Š| ||
| 579 | S | 72.3 | Confident | 76.7 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | trans | -154.4 | 160.4 | 169.3 | 69.2 | 0 | 0 | 0 | 0 | 110.1 | N583 | S579-N583 WeakPolarHBondContact CB-O 3.39Š| ||
| 580 | H | 57.2 | Low | 75.9 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -135.2 | 124.4 | 173.2 | 164.6 | -101.3 | 0 | 0 | 0 | 108.4 | G582 N583 F586 I1280 | H580-G582 PolarHBondContact O-N 2.89Å; H580-G582 VanDerWaalsContact O-N 3.11Å; H580-N583 PolarHBondContact N-O 3.14Å; H580-N583 PolarHBondContact O-N 2.96Å; H580-F586 HydrophobicContact CB-CE1 3.9Å; H580-F586 HydrophobicContact CB-CZ 3.66Å; H580-I1280 HydrophobicContact CB-CG2 3.92Å |
| 581 | N | 57.7 | Low | 75.5 | Confident | 128 Ų | 128 | 55 Ų | 55 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 32.6 | -173.6 | -60.8 | -24.5 | 0 | 0 | 0 | 114.8 | N583 | N581-N583 VanDerWaalsContact C-N 3.25Å; N581-N583 PolarHBondContact O-N 3.15Å |
| 582 | G | 60.9 | Low | 75.5 | Confident | 70 Ų | 70 | 55 Ų | 55 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -2.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H580 | H580-G582 PolarHBondContact O-N 2.89Å; H580-G582 VanDerWaalsContact O-N 3.11Å |
| 583 | N | 60.1 | Low | 75.7 | Confident | 78 Ų | 78 | 50 Ų | 50 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -80.3 | 147 | 170.2 | -167.3 | 4 | 0 | 0 | 0 | 110.1 | S579 H580 N581 N585 F586 | S579-N583 WeakPolarHBondContact CB-O 3.39Å; H580-N583 PolarHBondContact N-O 3.14Å; H580-N583 PolarHBondContact O-N 2.96Å; N581-N583 VanDerWaalsContact C-N 3.25Å; N581-N583 PolarHBondContact O-N 3.15Å; N583-N585 WeakPolarHBondContact OD1-CB 3.36Å; N583-N585 PolarHBondContact OD1-N 3.34Å; N583-F586 HydrophobicContact CB-CZ 4.16Å; N583-F586 WeakPolarHBondContact O-CE2 3.35Å; N583-F586 WeakPolarHBondContact O-CZ 3.2Å |
| 584 | K | 63.4 | Low | 75.7 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | trans | -112.6 | -8 | 169.2 | -72.1 | -167.4 | 179 | -172.4 | 0 | 112.9 | E481 F586 | E481-K584 IonicContact OE1-NZ 3.66Å; E481-K584 PolarHBondContact OE1-NZ 3.19Å; E481-K584 IonicContact OE2-NZ 3.44Å; E481-K584 PolarHBondContact OE2-NZ 2.88Å; K584-F586 PolarHBondContact O-N 3.02Å | ||
| 585 | N | 71.9 | Confident | 75.9 | Confident | 115 Ų | 115 | 48 Ų | 48 | 62% | 0.615 | 28% | 0.276 | S | S | * | . | trans | -90 | 76.7 | -173.6 | -67.7 | -13.7 | 0 | 0 | 0 | 112.6 | N583 | N583-N585 WeakPolarHBondContact OD1-CB 3.36Å; N583-N585 PolarHBondContact OD1-N 3.34Å | ||
| 586 | F | 68.8 | Low | 76.1 | Confident | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | trans | -97.3 | -13.7 | -180 | -59.9 | -69.5 | 0 | 0 | 0 | 114.6 | P78 I80 H580 N583 K584 Q588 R611 I1280 | P78-F586 CarbonylContact O-C 3.51Å; I80-F586 HydrophobicContact CD1-CD2 3.8Å; I80-F586 HydrophobicContact CD1-CE2 4.05Å; I80-F586 HydrophobicContact CG1-CD2 3.84Å; I80-F586 HydrophobicContact CG1-CG 4.38Å; H580-F586 HydrophobicContact CB-CE1 3.9Å; H580-F586 HydrophobicContact CB-CZ 3.66Å; N583-F586 HydrophobicContact CB-CZ 4.16Å; N583-F586 WeakPolarHBondContact O-CE2 3.35Å; N583-F586 WeakPolarHBondContact O-CZ 3.2Å; K584-F586 PolarHBondContact O-N 3.02Å; F586-Q588 VanDerWaalsContact C-N 3.28Å; F586-Q588 PolarHBondContact O-N 2.93Å; F586-R611 WeakPolarHBondContact O-CB 3.29Å; F586-R611 WeakPolarHBondContact O-CD 3.49Å; F586-I1280 HydrophobicContact CB-CD1 4.05Å; F586-I1280 HydrophobicContact CD1-CD1 3.63Å; F586-I1280 HydrophobicContact CD1-CG1 4.11Å; F586-I1280 HydrophobicContact CD1-CG2 4.4Å; F586-I1280 HydrophobicContact CE1-CD1 4.43Å; F586-I1280 HydrophobicContact CE1-CG1 4.45Å; F586-I1280 HydrophobicContact CE1-CG2 4.37Å; F586-I1280 HydrophobicContact CG-CD1 3.95Å | ||
| 587 | S | 76.5 | Confident | 76.4 | Confident | 32 Ų | 32 | 46.6 Ų | 46.6 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | trans | -62.3 | -24.2 | -174.5 | 50.2 | 0 | 0 | 0 | 0 | 115.7 | P78 N589 G610 R611 | P78-S587 PolarHBondContact O-N 2.71Å; P78-S587 VanDerWaalsContact O-N 3.09Å; S587-N589 PolarHBondContact O-N 3.04Å; S587-G610 CarbonylContact O-C 3.45Å; S587-G610 WeakPolarHBondContact O-CA 3.46Å; S587-R611 PolarHBondContact O-N 2.75Å | ||
| 588 | Q | 73.2 | Confident | 76.9 | Confident | 152 Ų | 152 | 46.5 Ų | 46.5 | 71% | 0.71 | 27% | 0.27 | S | S | * | . | trans | -71.8 | 125.5 | -171.4 | -66.4 | -174.8 | -3.4 | 0 | 0 | 112.4 | F586 R611 | F586-Q588 VanDerWaalsContact C-N 3.28Å; F586-Q588 PolarHBondContact O-N 2.93Å; Q588-R611 WeakPolarHBondContact O-CD 3.05Å | ||
| 589 | N | 73.8 | Confident | 77.5 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | trans | -94.2 | 122.1 | 171.5 | 170.3 | 7.7 | 0 | 0 | 0 | 109 | S587 G591 N592 D593 I609 | S587-N589 PolarHBondContact O-N 3.04Å; N589-G591 PolarHBondContact O-N 2.92Å; N589-G591 VanDerWaalsContact O-N 3.14Å; N589-G591 PolarHBondContact OD1-N 2.81Å; N589-N592 PolarHBondContact O-N 2.83Å; N589-D593 PolarHBondContact ND2-OD2 2.89Å; N589-I609 WeakPolarHBondContact CB-O 3.33Å; N589-I609 PolarHBondContact ND2-O 3.2Å | ||
| 590 | P | 71.1 | Confident | 78.4 | Confident | 106 Ų | 106 | 44.7 Ų | 44.7 | 69% | 0.688 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.7 | 179.6 | 27 | -35.8 | 0 | 0 | 0 | 113.2 | N592 | P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 2.87Å |
| 591 | G | 75.5 | Confident | 79.9 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 6% | 0.062 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -17.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q548 N589 D593 N1242 | Q548-G591 WeakPolarHBondContact CA-O 3.27Å; Q548-G591 PolarHBondContact N-O 2.88Å; N589-G591 PolarHBondContact O-N 2.92Å; N589-G591 VanDerWaalsContact O-N 3.14Å; N589-G591 PolarHBondContact OD1-N 2.81Å; G591-D593 PolarHBondContact O-N 2.8Å; G591-N1242 WeakPolarHBondContact CA-ND2 3.47Å |
| 592 | N | 87 | Confident | 81.5 | Confident | 53 Ų | 53 | 36 Ų | 36 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | trans | 43.2 | 49.7 | -170.4 | -67.2 | -59.9 | 0 | 0 | 0 | 112 | V549 I554 N589 P590 | V549-N592 PolarHBondContact N-O 2.98Å; V549-N592 VanDerWaalsContact O-CB 3.26Å; V549-N592 WeakPolarHBondContact O-CB 3.45Å; I554-N592 HydrophobicContact CD1-CB 4.04Å; N589-N592 PolarHBondContact O-N 2.83Å; P590-N592 VanDerWaalsContact C-N 3.27Å; P590-N592 PolarHBondContact O-N 2.87Å | ||
| 593 | D | 90.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130 | -176.8 | -70.6 | -54.4 | 0 | 0 | 0 | 111.3 | H545 N589 G591 A608 I609 N1242 H1244 | H545-D593 IonicContact CD2-OD1 3.62Å; H545-D593 IonicContact CE1-OD1 3.42Å; H545-D593 PolarHBondContact CE1-OD1 3.44Å; H545-D593 IonicContact NE2-OD1 2.69Å; H545-D593 PolarHBondContact NE2-OD1 2.98Å; N589-D593 PolarHBondContact ND2-OD2 2.89Å; G591-D593 PolarHBondContact O-N 2.8Å; D593-A608 WeakPolarHBondContact O-CA 3.47Å; D593-I609 HydrophobicContact CB-CB 4.17Å; D593-I609 PolarHBondContact O-N 3.21Å; D593-N1242 VanDerWaalsContact CG-ND2 3.35Å; D593-N1242 PolarHBondContact OD1-ND2 2.89Å; D593-N1242 PolarHBondContact OD2-ND2 2.95Å; D593-H1244 IonicContact OD2-CE1 3.27Å; D593-H1244 IonicContact OD2-ND1 3.41Å; D593-H1244 PolarHBondContact OD2-ND1 2.8Å |
| 594 | V | 93 | Very high | 84.5 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.9 | 168.1 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | I546 V549 I554 V596 W607 A608 L618 | I546-V594 HydrophobicContact CG2-CB 4.02Å; I546-V594 PolarHBondContact N-O 2.6Å; I546-V594 PolarHBondContact O-N 3.47Å; V549-V594 HydrophobicContact CB-CG2 4.12Å; V549-V594 HydrophobicContact CG1-CG2 4.31Å; V549-V594 HydrophobicContact CG2-CB 4.08Å; V549-V594 HydrophobicContact CG2-CG2 3.73Å; I554-V594 HydrophobicContact CD1-CG2 4.33Å; I554-V594 HydrophobicContact CG1-CG2 4.36Å; V594-V596 HydrophobicContact CG1-CG2 4.4Å; V594-W607 CarbonylContact C-O 3.6Å; V594-W607 WeakPolarHBondContact CA-O 3.35Å; V594-A608 HydrophobicContact CG2-CB 4.37Å; V594-L618 HydrophobicContact CG1-CD1 4.07Å; V594-L618 HydrophobicContact CG2-CD1 3.79Å |
| 595 | I | 94.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138 | 173.5 | -71.4 | -74.8 | 0 | 0 | 0 | 108.7 | I543 H545 L597 W607 I609 F1246 L1253 | I543-I595 HydrophobicContact CD1-CG2 4.26Å; I543-I595 HydrophobicContact CG1-CG2 4.34Å; H545-I595 HydrophobicContact CB-CD1 3.7Å; I595-L597 HydrophobicContact CG2-CD2 3.6Å; I595-L597 HydrophobicContact CG2-CG 4.05Å; I595-W607 PolarHBondContact N-O 3.07Å; I595-W607 PolarHBondContact O-N 3.49Å; I595-I609 HydrophobicContact CB-CD1 4.24Å; I595-I609 HydrophobicContact CB-CG1 4.06Å; I595-I609 HydrophobicContact CG1-CD1 4.26Å; I595-I609 HydrophobicContact CG1-CG1 3.7Å; I595-F1246 HydrophobicContact CD1-CB 4.36Å; I595-F1246 HydrophobicContact CD1-CD1 3.48Å; I595-F1246 VanDerWaalsContact CD1-CD1 3.48Å; I595-F1246 HydrophobicContact CD1-CD2 3.86Å; I595-F1246 HydrophobicContact CD1-CE1 3.62Å; I595-F1246 HydrophobicContact CD1-CE2 3.97Å; I595-F1246 HydrophobicContact CD1-CG 3.63Å; I595-F1246 HydrophobicContact CD1-CZ 3.87Å; I595-F1246 HydrophobicContact CG1-CD1 3.88Å; I595-F1246 HydrophobicContact CG1-CE1 3.77Å; I595-F1246 HydrophobicContact CG1-CZ 4.29Å; I595-L1253 HydrophobicContact CB-CD2 4.32Å; I595-L1253 HydrophobicContact CG1-CD2 4.08Å; I595-L1253 HydrophobicContact CG2-CD2 4.02Å |
| 596 | V | 95.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 117.7 | -179.9 | -168.8 | 0 | 0 | 0 | 0 | 108.1 | I543 T544 V594 V604 T605 L606 L677 V679 L700 | I543-V596 WeakPolarHBondContact CA-O 3.41Å; T544-V596 HydrophobicContact CG2-CB 3.81Å; T544-V596 HydrophobicContact CG2-CG2 4.28Å; T544-V596 PolarHBondContact N-O 2.97Å; T544-V596 PolarHBondContact O-N 3.22Å; V594-V596 HydrophobicContact CG1-CG2 4.4Å; V596-V604 HydrophobicContact CG1-CG1 3.3Å; V596-T605 WeakPolarHBondContact CA-O 3.28Å; V596-L606 HydrophobicContact CG1-CD1 4.19Å; V596-L606 HydrophobicContact CG1-CG 4.15Å; V596-L606 HydrophobicContact CG2-CG 4.16Å; V596-L677 HydrophobicContact CB-CD1 4.49Å; V596-L677 HydrophobicContact CG1-CD1 4.03Å; V596-V679 HydrophobicContact CG2-CB 4.33Å; V596-V679 HydrophobicContact CG2-CG1 4.12Å; V596-V679 HydrophobicContact CG2-CG2 4.33Å; V596-L700 HydrophobicContact CG1-CD1 4.06Å |
| 597 | L | 95.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 19.6 Ų | 19.6 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 130.9 | -177.7 | -55.7 | 179.6 | 0 | 0 | 0 | 109.6 | M535 V540 I543 I595 H599 V604 T605 | M535-L597 HydrophobicContact CB-CD1 4.09Å; V540-L597 HydrophobicContact CG1-CB 4.21Å; V540-L597 HydrophobicContact CG1-CD2 4.21Å; V540-L597 HydrophobicContact CG2-CD1 4.49Å; I543-L597 HydrophobicContact CB-CD2 4.24Å; I543-L597 HydrophobicContact CD1-CD2 3.89Å; I543-L597 HydrophobicContact CG1-CD2 3.89Å; I595-L597 HydrophobicContact CG2-CD2 3.6Å; I595-L597 HydrophobicContact CG2-CG 4.05Å; L597-H599 PolarHBondContact O-CD2 3.1Å; L597-V604 CarbonylContact O-C 3.59Å; L597-V604 VanDerWaalsContact O-CA 3.27Å; L597-V604 WeakPolarHBondContact O-CA 3.3Å; L597-V604 WeakPolarHBondContact O-CG1 3.29Å; L597-T605 PolarHBondContact N-O 3.45Å; L597-T605 PolarHBondContact O-N 2.87Å |
| 598 | G | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 134.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V540 T541 A542 | V540-G598 CarbonylContact C-O 3.56Å; T541-G598 PolarHBondContact N-O 2.66Å; T541-G598 PolarHBondContact OG1-O 2.65Å; A542-G598 PolarHBondContact N-O 2.87Å; A542-G598 PolarHBondContact O-N 2.85Å |
| 599 | H | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 154.6 | -167.7 | -62.9 | -90.9 | 0 | 0 | 0 | 113.2 | M535 F537 T538 L597 N601 G602 W603 T605 I674 | M535-H599 PolarHBondContact O-CE1 3.07Å; F537-H599 AromaticContact CD1-CE1 3.96Å; F537-H599 AromaticContact CE1-CD2 3.88Å; F537-H599 AromaticContact CE1-CE1 3.26Å; F537-H599 WeakPolarHBondContact CE1-CE1 3.44Å; F537-H599 AromaticContact CE1-CG 3.92Å; F537-H599 AromaticContact CE1-ND1 3.55Å; F537-H599 AromaticContact CE1-NE2 3.47Å; F537-H599 WeakPolarHBondContact CE1-NE2 3.36Å; F537-H599 HydrophobicContact CZ-CB 4.28Å; F537-H599 AromaticContact CZ-CD2 3.8Å; F537-H599 AromaticContact CZ-CE1 3.82Å; F537-H599 AromaticContact CZ-CG 3.65Å; F537-H599 AromaticContact CZ-ND1 3.67Å; F537-H599 AromaticContact CZ-NE2 3.91Å; T538-H599 PolarHBondContact O-ND1 2.99Å; L597-H599 PolarHBondContact O-CD2 3.1Å; H599-N601 VanDerWaalsContact CB-OD1 3.3Å; H599-N601 WeakPolarHBondContact CB-OD1 3.48Å; H599-N601 PolarHBondContact O-N 2.89Å; H599-G602 PolarHBondContact O-N 2.97Å; H599-W603 HydrophobicContact CB-CB 4.33Å; H599-W603 PolarHBondContact CD2-O 3.32Å; H599-W603 PolarHBondContact N-O 3.12Å; H599-T605 PolarHBondContact NE2-OG1 3.35Å; H599-I674 PolarHBondContact O-N 3.38Å |
| 600 | S | 91.6 | Very high | 90 | Very high | 12 Ų | 12 | 11 Ų | 11 | 8% | 0.084 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.1 | 175.8 | 40 | 0 | 0 | 0 | 0 | 114.2 | P539 T541 G602 Y668 A673 | P539-S600 VanDerWaalsContact CD-OG 3.31Å; P539-S600 WeakPolarHBondContact CD-OG 3.25Å; P539-S600 WeakPolarHBondContact O-CB 3.49Å; P539-S600 PolarHBondContact O-N 2.98Å; P539-S600 PolarHBondContact O-OG 3.33Å; T541-S600 PolarHBondContact OG1-N 3.12Å; S600-G602 VanDerWaalsContact C-N 3.32Å; S600-G602 PolarHBondContact O-N 3.41Å; S600-Y668 WeakPolarHBondContact O-CD2 3.32Å; S600-Y668 WeakPolarHBondContact O-CE2 3.4Å; S600-Y668 PolarHBondContact OG-OH 2.96Å; S600-A673 VanDerWaalsContact O-CA 3.22Å; S600-A673 WeakPolarHBondContact O-CA 3.48Å; S600-A673 VanDerWaalsContact O-CB 3.25Å; S600-A673 WeakPolarHBondContact O-CB 3.42Å |
| 601 | N | 88.7 | Confident | 90.4 | Very high | 5 Ų | 5 | 9.8 Ų | 9.8 | 3% | 0.027 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 2.9 | 175.7 | 76.3 | -19.7 | 0 | 0 | 0 | 114.8 | T538 H599 W603 Y668 | T538-N601 HydrophobicContact CG2-CB 4.3Å; T538-N601 PolarHBondContact OG1-OD1 2.64Å; H599-N601 VanDerWaalsContact CB-OD1 3.3Å; H599-N601 WeakPolarHBondContact CB-OD1 3.48Å; H599-N601 PolarHBondContact O-N 2.89Å; N601-W603 PolarHBondContact ND2-NE1 2.8Å; N601-W603 VanDerWaalsContact OD1-CB 3.27Å; N601-W603 WeakPolarHBondContact OD1-CB 3.43Å; N601-W603 PolarHBondContact OD1-N 3.11Å; N601-Y668 HydrophobicContact CB-CD1 3.79Å; N601-Y668 HydrophobicContact CB-CD2 4.1Å; N601-Y668 HydrophobicContact CB-CE1 4.12Å; N601-Y668 HydrophobicContact CB-CE2 4.41Å; N601-Y668 HydrophobicContact CB-CG 3.78Å |
| 602 | G | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | 83.7 | 16.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | H599 S600 T623 L672 | H599-G602 PolarHBondContact O-N 2.97Å; S600-G602 VanDerWaalsContact C-N 3.32Å; S600-G602 PolarHBondContact O-N 3.41Å; G602-T623 WeakPolarHBondContact O-CB 3.22Å; G602-T623 PolarHBondContact O-N 3.08Å; G602-T623 VanDerWaalsContact O-N 3.16Å; G602-T623 PolarHBondContact O-OG1 3.11Å; G602-L672 WeakPolarHBondContact CA-O 2.85Å |
| 603 | W | 90.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 8.1 Ų | 8.1 | 5% | 0.049 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 154.6 | 172.3 | -69.1 | 17.3 | 0 | 0 | 0 | 112 | F537 H599 N601 T620 L621 A660 Q663 I674 | F537-W603 HydrophobicContact CE1-CE3 4.4Å; F537-W603 HydrophobicContact CE2-CD2 4.13Å; F537-W603 AromaticContact CE2-CE3 3.51Å; F537-W603 HydrophobicContact CE2-CE3 3.51Å; F537-W603 AromaticContact CE2-CZ3 3.94Å; F537-W603 HydrophobicContact CE2-CZ3 3.94Å; F537-W603 HydrophobicContact CZ-CB 4.21Å; F537-W603 HydrophobicContact CZ-CD2 4.15Å; F537-W603 AromaticContact CZ-CE3 3.42Å; F537-W603 HydrophobicContact CZ-CE3 3.42Å; F537-W603 VanDerWaalsContact CZ-CE3 3.42Å; F537-W603 HydrophobicContact CZ-CZ3 4.14Å; H599-W603 HydrophobicContact CB-CB 4.33Å; H599-W603 PolarHBondContact CD2-O 3.32Å; H599-W603 PolarHBondContact N-O 3.12Å; N601-W603 PolarHBondContact ND2-NE1 2.8Å; N601-W603 VanDerWaalsContact OD1-CB 3.27Å; N601-W603 WeakPolarHBondContact OD1-CB 3.43Å; N601-W603 PolarHBondContact OD1-N 3.11Å; W603-T620 HydrophobicContact CD2-CG2 3.96Å; W603-T620 HydrophobicContact CE3-CG2 3.42Å; W603-T620 VanDerWaalsContact CE3-CG2 3.42Å; W603-T620 HydrophobicContact CG-CG2 4.48Å; W603-T620 HydrophobicContact CZ3-CG2 3.84Å; W603-L621 CarbonylContact C-O 3.55Å; W603-L621 WeakPolarHBondContact CA-O 3.16Å; W603-A660 HydrophobicContact CH2-CB 4.15Å; W603-A660 HydrophobicContact CZ3-CB 3.81Å; W603-Q663 HydrophobicContact CH2-CB 3.7Å; W603-Q663 HydrophobicContact CH2-CG 4.42Å; W603-Q663 HydrophobicContact CZ2-CB 3.51Å; W603-I674 VanDerWaalsContact O-CG1 3.32Å; W603-I674 WeakPolarHBondContact O-CG1 3.2Å |
| 604 | V | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 131.8 | 165.2 | -170.2 | 0 | 0 | 0 | 0 | 108.8 | V596 L597 L606 L621 T623 I674 L677 L700 V702 | V596-V604 HydrophobicContact CG1-CG1 3.3Å; L597-V604 CarbonylContact O-C 3.59Å; L597-V604 VanDerWaalsContact O-CA 3.27Å; L597-V604 WeakPolarHBondContact O-CA 3.3Å; L597-V604 WeakPolarHBondContact O-CG1 3.29Å; V604-L606 HydrophobicContact CG1-CD1 4.38Å; V604-L621 HydrophobicContact CB-CB 4.26Å; V604-L621 PolarHBondContact N-O 2.74Å; V604-L621 PolarHBondContact O-N 3.08Å; V604-T623 HydrophobicContact CG2-CG2 4.47Å; V604-I674 HydrophobicContact CG2-CD1 4.4Å; V604-I674 HydrophobicContact CG2-CG1 4.07Å; V604-I674 HydrophobicContact CG2-CG2 4.49Å; V604-L677 HydrophobicContact CG1-CD1 4.18Å; V604-L677 HydrophobicContact CG1-CD2 3.88Å; V604-L677 HydrophobicContact CG2-CD2 3.85Å; V604-L700 HydrophobicContact CB-CD2 4.42Å; V604-L700 HydrophobicContact CG1-CD2 4.02Å; V604-V702 HydrophobicContact CG2-CG1 3.75Å; V604-V702 HydrophobicContact CG2-CG2 3.94Å |
| 605 | T | 91 | Very high | 90.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.5 | 177.3 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | F537 V596 L597 H599 W607 T620 Y656 | F537-T605 HydrophobicContact CE1-CG2 3.82Å; F537-T605 HydrophobicContact CZ-CG2 4.25Å; V596-T605 WeakPolarHBondContact CA-O 3.28Å; L597-T605 PolarHBondContact N-O 3.45Å; L597-T605 PolarHBondContact O-N 2.87Å; H599-T605 PolarHBondContact NE2-OG1 3.35Å; T605-W607 PolarHBondContact OG1-NE1 2.71Å; T605-T620 HydrophobicContact CG2-CG2 4.16Å; T605-Y656 WeakPolarHBondContact CG2-OH 3.26Å |
| 606 | L | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.1 | -179.9 | -71.8 | 74.9 | 0 | 0 | 0 | 109.7 | V596 V604 L618 G619 L698 L700 F773 | V596-L606 HydrophobicContact CG1-CD1 4.19Å; V596-L606 HydrophobicContact CG1-CG 4.15Å; V596-L606 HydrophobicContact CG2-CG 4.16Å; V604-L606 HydrophobicContact CG1-CD1 4.38Å; L606-L618 HydrophobicContact CB-CB 3.84Å; L606-L618 PolarHBondContact O-N 3.13Å; L606-G619 PolarHBondContact N-O 2.88Å; L606-G619 VanDerWaalsContact N-O 3.14Å; L606-L698 HydrophobicContact CD2-CD1 4.43Å; L606-L698 HydrophobicContact CD2-CD2 4.44Å; L606-L700 HydrophobicContact CD1-CD2 4.45Å; L606-F773 HydrophobicContact CD1-CE1 4.31Å; L606-F773 HydrophobicContact CD1-CE2 4.24Å; L606-F773 HydrophobicContact CD1-CZ 3.56Å; L606-F773 HydrophobicContact CD2-CE1 4.31Å; L606-F773 HydrophobicContact CD2-CZ 3.85Å; L606-F773 HydrophobicContact CG-CZ 4.34Å |
| 607 | W | 92.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 12.3 Ų | 12.3 | 1% | 0.011 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122 | -177.7 | -59.9 | 86.7 | 0 | 0 | 0 | 110.2 | N533 M535 V594 I595 T605 I609 I616 H617 Y656 | N533-W607 HydrophobicContact CB-CH2 3.98Å; N533-W607 HydrophobicContact CB-CZ3 3.81Å; M535-W607 HydrophobicContact CG-CD2 4.35Å; M535-W607 HydrophobicContact CG-CZ2 4.22Å; V594-W607 CarbonylContact C-O 3.6Å; V594-W607 WeakPolarHBondContact CA-O 3.35Å; I595-W607 PolarHBondContact N-O 3.07Å; I595-W607 PolarHBondContact O-N 3.49Å; T605-W607 PolarHBondContact OG1-NE1 2.71Å; W607-I609 HydrophobicContact CB-CD1 4.15Å; W607-I616 CarbonylContact C-O 3.6Å; W607-I616 WeakPolarHBondContact CA-O 3.18Å; W607-H617 AromaticContact CE2-CD2 3.87Å; W607-H617 HydrophobicContact CE3-CB 4.02Å; W607-H617 HydrophobicContact CH2-CB 4.13Å; W607-H617 AromaticContact CH2-CD2 3.83Å; W607-H617 AromaticContact CZ2-CD2 3.69Å; W607-H617 HydrophobicContact CZ3-CB 3.71Å; W607-Y656 HydrophobicContact CZ2-CE1 4.2Å |
| 608 | A | 92.8 | Very high | 89.3 | Confident | 9 Ų | 9 | 12.1 Ų | 12.1 | 7% | 0.074 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 135.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | I554 D593 V594 T615 I616 L618 | I554-A608 HydrophobicContact CG2-CB 3.93Å; D593-A608 WeakPolarHBondContact O-CA 3.47Å; V594-A608 HydrophobicContact CG2-CB 4.37Å; A608-T615 WeakPolarHBondContact O-CA 3.42Å; A608-I616 HydrophobicContact CB-CB 4.23Å; A608-I616 PolarHBondContact N-O 2.92Å; A608-I616 PolarHBondContact O-N 3.1Å; A608-L618 HydrophobicContact CB-CD1 3.88Å; A608-L618 HydrophobicContact CB-CD2 4.18Å; A608-L618 HydrophobicContact CB-CG 4.12Å |
| 609 | I | 89.7 | Confident | 88.8 | Confident | 6 Ų | 6 | 12.1 Ų | 12.1 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108.8 | -171.4 | -57.1 | -55.8 | 0 | 0 | 0 | 108.9 | Y45 N589 D593 I595 W607 T615 L1253 | Y45-I609 HydrophobicContact CD1-CG2 4.32Å; Y45-I609 HydrophobicContact CD2-CG2 4.32Å; Y45-I609 HydrophobicContact CE1-CG2 3.58Å; Y45-I609 HydrophobicContact CE2-CG2 3.63Å; Y45-I609 VanDerWaalsContact OH-CG2 3.29Å; Y45-I609 WeakPolarHBondContact OH-CG2 3.39Å; N589-I609 WeakPolarHBondContact CB-O 3.33Å; N589-I609 PolarHBondContact ND2-O 3.2Å; D593-I609 HydrophobicContact CB-CB 4.17Å; D593-I609 PolarHBondContact O-N 3.21Å; I595-I609 HydrophobicContact CB-CD1 4.24Å; I595-I609 HydrophobicContact CB-CG1 4.06Å; I595-I609 HydrophobicContact CG1-CD1 4.26Å; I595-I609 HydrophobicContact CG1-CG1 3.7Å; W607-I609 HydrophobicContact CB-CD1 4.15Å; I609-T615 HydrophobicContact CD1-CG2 4.08Å; I609-L1253 HydrophobicContact CD1-CD2 4Å |
| 610 | G | 85.1 | Confident | 88.4 | Confident | 10 Ų | 10 | 12.3 Ų | 12.3 | 10% | 0.103 | 7% | 0.065 | C | C | . | . | trans | -86.2 | -164.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y45 S587 T614 | Y45-G610 PolarHBondContact OH-O 2.75Å; S587-G610 CarbonylContact O-C 3.45Å; S587-G610 WeakPolarHBondContact O-CA 3.46Å; G610-T614 PolarHBondContact N-O 3Å | ||
| 611 | R | 78.6 | Confident | 88.2 | Confident | 82 Ų | 82 | 11.8 Ų | 11.8 | 31% | 0.309 | 6% | 0.061 | S | C | . | . | S | Bend | trans | -80.9 | 154.4 | 167.7 | -74.4 | 177 | 158.8 | -165.9 | -7.7 | 111.3 | F586 S587 Q588 T614 D1278 | F586-R611 WeakPolarHBondContact O-CB 3.29Å; F586-R611 WeakPolarHBondContact O-CD 3.49Å; S587-R611 PolarHBondContact O-N 2.75Å; Q588-R611 WeakPolarHBondContact O-CD 3.05Å; R611-T614 WeakPolarHBondContact O-CB 3.41Å; R611-T614 PolarHBondContact O-N 3.09Å; R611-T614 PolarHBondContact O-OG1 2.76Å; R611-D1278 IonicContact CZ-OD2 3.27Å; R611-D1278 IonicContact NH1-OD2 3.27Å; R611-D1278 PolarHBondContact NH1-OD2 2.88Å; R611-D1278 IonicContact NH2-OD2 3.81Å; R611-D1278 PolarHBondContact NH2-OD2 3.03Å |
| 612 | A | 76.6 | Confident | 88 | Confident | 22 Ų | 22 | 12.5 Ų | 12.5 | 18% | 0.182 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | -144.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S43 Y45 G79 V81 T614 | S43-A612 PolarHBondContact OG-N 3.48Å; S43-A612 PolarHBondContact OG-O 3.12Å; Y45-A612 WeakPolarHBondContact CD1-O 3.11Å; Y45-A612 WeakPolarHBondContact CE1-O 2.8Å; G79-A612 WeakPolarHBondContact O-CB 3.43Å; V81-A612 HydrophobicContact CB-CB 4.07Å; V81-A612 HydrophobicContact CG2-CB 3.83Å; A612-T614 PolarHBondContact O-N 2.98Å; A612-T614 VanDerWaalsContact O-N 3.11Å |
| 613 | D | 85.8 | Confident | 88 | Confident | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.011 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 15.3 | 177.7 | -149.5 | -54.9 | 0 | 0 | 0 | 112.5 | Y45 G46 K73 Y75 V81 Y531 T615 R1252 | Y45-D613 WeakPolarHBondContact CA-OD1 3.37Å; G46-D613 PolarHBondContact N-OD1 3.02Å; K73-D613 IonicContact NZ-OD2 2.74Å; K73-D613 PolarHBondContact NZ-OD2 3.24Å; Y75-D613 HydrophobicContact CE1-CB 3.8Å; Y75-D613 PolarHBondContact OH-OD2 3.4Å; Y75-D613 VanDerWaalsContact OH-OD2 3.07Å; V81-D613 HydrophobicContact CG2-CB 3.93Å; Y531-D613 WeakPolarHBondContact CA-O 3.44Å; Y531-D613 VanDerWaalsContact CB-O 3.29Å; Y531-D613 WeakPolarHBondContact CB-O 3.39Å; D613-T615 PolarHBondContact O-N 3.12Å; D613-R1252 IonicContact OD2-NH2 3.77Å; D613-R1252 PolarHBondContact OD2-NH2 2.73Å; D613-R1252 VanDerWaalsContact OD2-NH2 3.12Å |
| 614 | T | 89.9 | Confident | 87.8 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 3% | 0.025 | 8% | 0.075 | C | C | . | . | trans | -79.2 | 125.8 | -168.2 | -42.9 | 0 | 0 | 0 | 0 | 112.4 | Y45 P78 G79 P530 G610 R611 A612 | Y45-T614 WeakPolarHBondContact CD1-O 3.32Å; Y45-T614 WeakPolarHBondContact CE1-O 3.48Å; P78-T614 HydrophobicContact CB-CG2 4.25Å; G79-T614 WeakPolarHBondContact CA-OG1 3.33Å; G79-T614 PolarHBondContact N-OG1 2.69Å; P530-T614 HydrophobicContact CB-CG2 4.28Å; P530-T614 CarbonylContact O-C 3.59Å; P530-T614 WeakPolarHBondContact O-CA 3.37Å; P530-T614 WeakPolarHBondContact O-CG2 3.29Å; G610-T614 PolarHBondContact N-O 3Å; R611-T614 WeakPolarHBondContact O-CB 3.41Å; R611-T614 PolarHBondContact O-N 3.09Å; R611-T614 PolarHBondContact O-OG1 2.76Å; A612-T614 PolarHBondContact O-N 2.98Å; A612-T614 VanDerWaalsContact O-N 3.11Å | ||
| 615 | T | 91.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.7 | 176.5 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | Y45 P530 N533 M535 A608 I609 D613 | Y45-T615 HydrophobicContact CD1-CG2 3.64Å; Y45-T615 HydrophobicContact CG-CG2 4.04Å; P530-T615 PolarHBondContact O-N 3.44Å; P530-T615 VanDerWaalsContact O-O 3.14Å; N533-T615 PolarHBondContact ND2-OG1 3.13Å; M535-T615 HydrophobicContact SD-CG2 4.26Å; A608-T615 WeakPolarHBondContact O-CA 3.42Å; I609-T615 HydrophobicContact CD1-CG2 4.08Å; D613-T615 PolarHBondContact O-N 3.12Å |
| 616 | I | 89.5 | Confident | 87.3 | Confident | 60 Ų | 60 | 15.5 Ų | 15.5 | 31% | 0.308 | 9% | 0.089 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 122.6 | 173.7 | -57.9 | 173.5 | 0 | 0 | 0 | 107.5 | H558 W607 A608 L618 | H558-I616 HydrophobicContact CB-CG2 4.09Å; H558-I616 WeakPolarHBondContact CD2-CG2 3.19Å; W607-I616 CarbonylContact C-O 3.6Å; W607-I616 WeakPolarHBondContact CA-O 3.18Å; A608-I616 HydrophobicContact CB-CB 4.23Å; A608-I616 PolarHBondContact N-O 2.92Å; A608-I616 PolarHBondContact O-N 3.1Å; I616-L618 HydrophobicContact CG2-CD2 4.04Å; I616-L618 PolarHBondContact O-N 2.75Å |
| 617 | H | 87.9 | Confident | 87.2 | Confident | 26 Ų | 26 | 16 Ų | 16 | 12% | 0.12 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 123.5 | 177.6 | -176.9 | -113.3 | 0 | 0 | 0 | 110.5 | H558 W607 G619 T620 Y656 T769 | H558-H617 PolarHBondContact CD2-O 2.86Å; W607-H617 AromaticContact CE2-CD2 3.87Å; W607-H617 HydrophobicContact CE3-CB 4.02Å; W607-H617 HydrophobicContact CH2-CB 4.13Å; W607-H617 AromaticContact CH2-CD2 3.83Å; W607-H617 AromaticContact CZ2-CD2 3.69Å; W607-H617 HydrophobicContact CZ3-CB 3.71Å; H617-G619 VanDerWaalsContact NE2-C 3.27Å; H617-G619 WeakPolarHBondContact NE2-CA 3.23Å; H617-T620 PolarHBondContact NE2-N 3.37Å; H617-T620 PolarHBondContact NE2-OG1 3Å; H617-Y656 AromaticContact CD2-CE2 3.8Å; H617-Y656 AromaticContact NE2-CE2 3.92Å; H617-T769 WeakPolarHBondContact NE2-CG2 3.43Å |
| 618 | L | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 19.5 | -178.6 | -55 | -173.3 | 0 | 0 | 0 | 112.8 | I554 L557 H558 V594 L606 A608 I616 L771 | I554-L618 HydrophobicContact CG2-CD1 4.29Å; I554-L618 HydrophobicContact CG2-CD2 3.87Å; L557-L618 HydrophobicContact CB-CB 4.09Å; L557-L618 HydrophobicContact CB-CD2 4.42Å; L557-L618 HydrophobicContact CD1-CD1 4.37Å; H558-L618 HydrophobicContact CB-CD2 3.92Å; V594-L618 HydrophobicContact CG1-CD1 4.07Å; V594-L618 HydrophobicContact CG2-CD1 3.79Å; L606-L618 HydrophobicContact CB-CB 3.84Å; L606-L618 PolarHBondContact O-N 3.13Å; A608-L618 HydrophobicContact CB-CD1 3.88Å; A608-L618 HydrophobicContact CB-CD2 4.18Å; A608-L618 HydrophobicContact CB-CG 4.12Å; I616-L618 HydrophobicContact CG2-CD2 4.04Å; I616-L618 PolarHBondContact O-N 2.75Å; L618-L771 WeakPolarHBondContact O-CD1 3.28Å |
| 619 | G | 83.8 | Confident | 86.4 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.6 | 164 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L606 H617 | L606-G619 PolarHBondContact N-O 2.88Å; L606-G619 VanDerWaalsContact N-O 3.14Å; H617-G619 VanDerWaalsContact NE2-C 3.27Å; H617-G619 WeakPolarHBondContact NE2-CA 3.23Å |
| 620 | T | 85.1 | Confident | 85.4 | Confident | 4 Ų | 4 | 24.3 Ų | 24.3 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.1 | -175.1 | -56 | 0 | 0 | 0 | 0 | 110.7 | W603 T605 H617 P622 Y656 T769 | W603-T620 HydrophobicContact CD2-CG2 3.96Å; W603-T620 HydrophobicContact CE3-CG2 3.42Å; W603-T620 VanDerWaalsContact CE3-CG2 3.42Å; W603-T620 HydrophobicContact CG-CG2 4.48Å; W603-T620 HydrophobicContact CZ3-CG2 3.84Å; T605-T620 HydrophobicContact CG2-CG2 4.16Å; H617-T620 PolarHBondContact NE2-N 3.37Å; H617-T620 PolarHBondContact NE2-OG1 3Å; T620-P622 WeakPolarHBondContact O-CD 3.14Å; T620-Y656 PolarHBondContact OG1-OH 3.05Å; T620-T769 PolarHBondContact N-OG1 3.05Å |
| 621 | L | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 105.3 | 174.8 | 169.9 | 56.3 | 0 | 0 | 0 | 110.8 | W603 V604 T623 L700 V702 W712 F773 | W603-L621 CarbonylContact C-O 3.55Å; W603-L621 WeakPolarHBondContact CA-O 3.16Å; V604-L621 HydrophobicContact CB-CB 4.26Å; V604-L621 PolarHBondContact N-O 2.74Å; V604-L621 PolarHBondContact O-N 3.08Å; L621-T623 HydrophobicContact CD2-CG2 4.39Å; L621-T623 HydrophobicContact CG-CG2 4.15Å; L621-T623 PolarHBondContact O-N 2.85Å; L621-L700 HydrophobicContact CD2-CD2 3.7Å; L621-V702 HydrophobicContact CD2-CG2 4.27Å; L621-W712 HydrophobicContact CD1-CD2 3.76Å; L621-W712 HydrophobicContact CD1-CE3 3.64Å; L621-W712 HydrophobicContact CD1-CH2 3.67Å; L621-W712 HydrophobicContact CD1-CZ2 3.77Å; L621-W712 HydrophobicContact CD1-CZ3 3.59Å; L621-W712 HydrophobicContact CD2-CB 4.25Å; L621-W712 HydrophobicContact CD2-CD2 3.74Å; L621-W712 HydrophobicContact CD2-CE3 4.38Å; L621-W712 HydrophobicContact CD2-CG 3.66Å; L621-W712 HydrophobicContact CG-CD2 4.38Å; L621-F773 HydrophobicContact CB-CD2 3.9Å; L621-F773 HydrophobicContact CB-CE2 4.23Å; L621-F773 HydrophobicContact CB-CG 4.27Å; L621-F773 HydrophobicContact CD1-CB 3.98Å; L621-F773 HydrophobicContact CD1-CG 4.41Å; L621-F773 HydrophobicContact CD2-CB 4.45Å; L621-F773 HydrophobicContact CD2-CD1 4.49Å; L621-F773 HydrophobicContact CD2-CG 4.33Å |
| 622 | P | 86.4 | Confident | 82.8 | Confident | 20 Ų | 20 | 29 Ų | 29 | 13% | 0.13 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 99.2 | 170.8 | 32 | -32.1 | 0 | 0 | 0 | 110.6 | T620 S624 S625 | T620-P622 WeakPolarHBondContact O-CD 3.14Å; P622-S624 PolarHBondContact O-N 3.18Å; P622-S625 WeakPolarHBondContact O-CB 3.31Å; P622-S625 PolarHBondContact O-N 2.83Å; P622-S625 PolarHBondContact O-OG 3.36Å |
| 623 | T | 90.3 | Very high | 81.4 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -67.7 | -16.5 | -176.9 | 68 | 0 | 0 | 0 | 0 | 114 | G602 V604 L621 S625 L626 F627 I674 V702 | G602-T623 WeakPolarHBondContact O-CB 3.22Å; G602-T623 PolarHBondContact O-N 3.08Å; G602-T623 VanDerWaalsContact O-N 3.16Å; G602-T623 PolarHBondContact O-OG1 3.11Å; V604-T623 HydrophobicContact CG2-CG2 4.47Å; L621-T623 HydrophobicContact CD2-CG2 4.39Å; L621-T623 HydrophobicContact CG-CG2 4.15Å; L621-T623 PolarHBondContact O-N 2.85Å; T623-S625 PolarHBondContact O-N 3.33Å; T623-S625 VanDerWaalsContact O-N 3.13Å; T623-L626 PolarHBondContact O-N 2.93Å; T623-L626 VanDerWaalsContact O-N 3.16Å; T623-F627 WeakPolarHBondContact O-CD2 3.37Å; T623-I674 HydrophobicContact CG2-CD1 4.21Å; T623-V702 HydrophobicContact CG2-CB 4.49Å; T623-V702 HydrophobicContact CG2-CG1 4.04Å |
| 624 | S | 86.2 | Confident | 78.9 | Confident | 33 Ų | 33 | 39.4 Ų | 39.4 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -54.1 | -25 | 170.3 | 48.8 | 0 | 0 | 0 | 0 | 113.7 | P622 L626 F627 | P622-S624 PolarHBondContact O-N 3.18Å; S624-L626 PolarHBondContact O-N 3.49Å; S624-L626 VanDerWaalsContact O-N 3.15Å; S624-F627 PolarHBondContact O-N 3.42Å |
| 625 | S | 84.6 | Confident | 76.2 | Confident | 40 Ų | 40 | 43.1 Ų | 43.1 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -58.9 | -20.7 | 175.7 | 55.8 | 0 | 0 | 0 | 0 | 114.9 | P622 T623 F627 | P622-S625 WeakPolarHBondContact O-CB 3.31Å; P622-S625 PolarHBondContact O-N 2.83Å; P622-S625 PolarHBondContact O-OG 3.36Å; T623-S625 PolarHBondContact O-N 3.33Å; T623-S625 VanDerWaalsContact O-N 3.13Å; S625-F627 VanDerWaalsContact C-N 3.35Å |
| 626 | L | 89.5 | Confident | 73.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -82 | -8.3 | 175 | -62 | -177.2 | 0 | 0 | 0 | 114.1 | T623 S624 W712 F728 P730 P758 T759 Y765 P775 L778 | T623-L626 PolarHBondContact O-N 2.93Å; T623-L626 VanDerWaalsContact O-N 3.16Å; S624-L626 PolarHBondContact O-N 3.49Å; S624-L626 VanDerWaalsContact O-N 3.15Å; L626-W712 HydrophobicContact CD1-CH2 4.08Å; L626-W712 HydrophobicContact CD1-CZ2 3.42Å; L626-W712 VanDerWaalsContact CD1-CZ2 3.42Å; L626-W712 HydrophobicContact CD2-CH2 3.76Å; L626-W712 HydrophobicContact CD2-CZ2 3.99Å; L626-W712 HydrophobicContact CG-CH2 3.73Å; L626-W712 HydrophobicContact CG-CZ2 3.56Å; L626-F728 HydrophobicContact CD2-CE1 4.3Å; L626-P730 HydrophobicContact CD2-CB 4.37Å; L626-P730 HydrophobicContact CD2-CG 3.86Å; L626-P758 CarbonylContact O-C 3.52Å; L626-P758 VanDerWaalsContact O-CA 3.29Å; L626-P758 WeakPolarHBondContact O-CA 3.42Å; L626-T759 PolarHBondContact O-N 2.78Å; L626-Y765 HydrophobicContact CD2-CE1 3.99Å; L626-P775 HydrophobicContact CD2-CB 4Å; L626-P775 HydrophobicContact CD2-CG 3.97Å; L626-L778 HydrophobicContact CD1-CD1 4.18Å |
| 627 | F | 91.2 | Very high | 70.5 | Confident | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | B | Isolated β-bridge | trans | -127.5 | 138.8 | -166.5 | -55.7 | -71.7 | 0 | 0 | 0 | 113.3 | T623 S624 S625 L629 L672 Q708 L756 R757 T759 L778 | T623-F627 WeakPolarHBondContact O-CD2 3.37Å; S624-F627 PolarHBondContact O-N 3.42Å; S625-F627 VanDerWaalsContact C-N 3.35Å; F627-L629 HydrophobicContact CB-CD2 4.44Å; F627-L629 PolarHBondContact O-N 3.2Å; F627-L672 HydrophobicContact CD2-CD2 3.89Å; F627-L672 HydrophobicContact CE2-CD2 4.38Å; F627-Q708 HydrophobicContact CE1-CB 4.4Å; F627-Q708 HydrophobicContact CE2-CG 4.15Å; F627-Q708 HydrophobicContact CZ-CB 3.86Å; F627-Q708 HydrophobicContact CZ-CG 3.71Å; F627-L756 HydrophobicContact CB-CB 4.44Å; F627-L756 HydrophobicContact CD1-CB 3.49Å; F627-L756 VanDerWaalsContact CD1-CB 3.49Å; F627-L756 HydrophobicContact CD1-CD1 4.35Å; F627-L756 HydrophobicContact CD2-CD1 4.18Å; F627-L756 HydrophobicContact CE1-CB 3.88Å; F627-L756 HydrophobicContact CE1-CD1 4.44Å; F627-L756 HydrophobicContact CE2-CD1 4.27Å; F627-L756 HydrophobicContact CG-CB 3.96Å; F627-L756 HydrophobicContact CG-CD1 4.23Å; F627-L756 HydrophobicContact CZ-CD1 4.42Å; F627-R757 CarbonylContact C-O 3.54Å; F627-R757 VanDerWaalsContact CA-O 3.22Å; F627-R757 WeakPolarHBondContact CA-O 3.49Å; F627-R757 WeakPolarHBondContact CB-O 3.3Å; F627-T759 PolarHBondContact N-OG1 3.17Å; F627-L778 HydrophobicContact CE1-CD1 4.21Å; F627-L778 HydrophobicContact CE1-CD2 4.21Å; F627-L778 HydrophobicContact CZ-CD1 3.92Å |
| 628 | N | 87 | Confident | 67.8 | Low | 68 Ų | 68 | 59.3 Ų | 59.3 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | trans | -78.7 | 109.7 | 169.6 | -173.5 | -0.4 | 0 | 0 | 0 | 110.3 | T630 R757 | N628-T630 WeakPolarHBondContact OD1-CG2 3.37Å; N628-T630 PolarHBondContact OD1-N 2.93Å; N628-T630 PolarHBondContact OD1-OG1 3.49Å; N628-R757 PolarHBondContact N-O 3.33Å | ||
| 629 | L | 79.9 | Confident | 65.1 | Low | 44 Ų | 44 | 61.6 Ų | 61.6 | 23% | 0.23 | 36% | 0.357 | C | S | . | . | trans | -101.5 | 5.5 | -179.5 | -60.8 | 173.5 | 0 | 0 | 0 | 113.4 | F627 D631 L632 L672 L756 | F627-L629 HydrophobicContact CB-CD2 4.44Å; F627-L629 PolarHBondContact O-N 3.2Å; L629-D631 PolarHBondContact O-N 3.41Å; L629-L632 HydrophobicContact CD2-CD1 4.29Å; L629-L632 PolarHBondContact O-N 2.84Å; L629-L672 HydrophobicContact CD1-CD1 3.94Å; L629-L672 HydrophobicContact CD2-CD1 4.24Å; L629-L756 HydrophobicContact CD2-CD2 4.08Å | ||
| 630 | T | 69.2 | Low | 62.5 | Low | 81 Ų | 81 | 69.7 Ų | 69.7 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -63.3 | -25.4 | -175.6 | 59.5 | 0 | 0 | 0 | 0 | 113.6 | N628 L632 Q633 | N628-T630 WeakPolarHBondContact OD1-CG2 3.37Å; N628-T630 PolarHBondContact OD1-N 2.93Å; N628-T630 PolarHBondContact OD1-OG1 3.49Å; T630-L632 PolarHBondContact O-N 3.37Å; T630-L632 VanDerWaalsContact O-N 3.15Å; T630-Q633 WeakPolarHBondContact O-CB 3.14Å; T630-Q633 PolarHBondContact O-N 2.79Å |
| 631 | D | 56 | Low | 60 | Low | 95 Ų | 95 | 73.5 Ų | 73.5 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -64.4 | -15.6 | 179.2 | -65.2 | -29.2 | 0 | 0 | 0 | 113.5 | L629 R757 | L629-D631 PolarHBondContact O-N 3.41Å; D631-R757 IonicContact OD1-NH1 2.62Å; D631-R757 WeakPolarHBondContact OD2-CD 3.25Å; D631-R757 IonicContact OD2-CZ 3.94Å; D631-R757 IonicContact OD2-NE 2.98Å; D631-R757 IonicContact OD2-NH1 3.95Å; D631-R757 PolarHBondContact OD2-NH1 3.16Å |
| 632 | L | 53.3 | Low | 57.6 | Low | 97 Ų | 97 | 80.2 Ų | 80.2 | 51% | 0.508 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -82.5 | -20 | 172.1 | -69 | 161.4 | 0 | 0 | 0 | 112.9 | L629 T630 N634 D669 | L629-L632 HydrophobicContact CD2-CD1 4.29Å; L629-L632 PolarHBondContact O-N 2.84Å; T630-L632 PolarHBondContact O-N 3.37Å; T630-L632 VanDerWaalsContact O-N 3.15Å; L632-N634 PolarHBondContact O-N 2.74Å; L632-D669 HydrophobicContact CD1-CB 3.97Å |
| 633 | Q | 47.5 | Very low | 55.2 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 34% | 0.341 | 49% | 0.488 | S | S | . | . | trans | -80.9 | 60.3 | -177.4 | -68 | -175.1 | 23.7 | 0 | 0 | 112.1 | T630 G635 Q636 C638 | T630-Q633 WeakPolarHBondContact O-CB 3.14Å; T630-Q633 PolarHBondContact O-N 2.79Å; Q633-G635 PolarHBondContact O-N 3.37Å; Q633-Q636 PolarHBondContact OE1-O 3Å; Q633-C638 PolarHBondContact NE2-SG 2.96Å; Q633-C638 VanDerWaalsContact NE2-SG 3.36Å | ||
| 634 | N | 32.8 | Very low | 52.8 | Low | 168 Ų | 168 | 94.2 Ų | 94.2 | 90% | 0.898 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -75 | 75.4 | 178.8 | -133.4 | -7.7 | 0 | 0 | 0 | 110.8 | L632 | L632-N634 PolarHBondContact O-N 2.74Š|
| 635 | G | 32.6 | Very low | 50.6 | Low | 82 Ų | 82 | 100 Ų | 100 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 116.5 | -24.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q633 | Q633-G635 PolarHBondContact O-N 3.37Š|
| 636 | Q | 34.3 | Very low | 48.9 | Very low | 165 Ų | 165 | 107.6 Ų | 107.6 | 77% | 0.771 | 58% | 0.583 | S | S | * | * | trans | -111.6 | 98.1 | -178.9 | -163.1 | 168.8 | 11.8 | 0 | 0 | 110.4 | Q633 C638 | Q633-Q636 PolarHBondContact OE1-O 3Å; Q636-C638 PolarHBondContact O-N 3.32Å | ||
| 637 | K | 28.6 | Very low | 48 | Very low | 189 Ų | 189 | 110.9 Ų | 110.9 | 82% | 0.822 | 60% | 0.603 | S | S | * | * | trans | -56.8 | 122.1 | 166.1 | -70 | -179.5 | 176.5 | -178.4 | 0 | 108.1 | G639 | K637-G639 VanDerWaalsContact C-N 3.34Å; K637-G639 PolarHBondContact O-N 2.92Å | ||
| 638 | C | 31.7 | Very low | 47.6 | Very low | 74 Ų | 74 | 116.7 Ų | 116.7 | 50% | 0.5 | 63% | 0.625 | S | S | . | * | trans | -61.1 | 104.3 | 154.9 | -73.5 | 0 | 0 | 0 | 0 | 106.9 | Q633 Q636 | Q633-C638 PolarHBondContact NE2-SG 2.96Å; Q633-C638 VanDerWaalsContact NE2-SG 3.36Å; Q636-C638 PolarHBondContact O-N 3.32Å | ||
| 639 | G | 29.9 | Very low | 47.7 | Very low | 48 Ų | 48 | 113.5 Ų | 113.5 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | trans | -65.5 | 139.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | K637 S641 | K637-G639 VanDerWaalsContact C-N 3.34Å; K637-G639 PolarHBondContact O-N 2.92Å; G639-S641 PolarHBondContact O-N 2.87Å | ||
| 640 | N | 28.6 | Very low | 48.2 | Very low | 169 Ų | 169 | 113.1 Ų | 113.1 | 90% | 0.904 | 61% | 0.608 | S | S | * | * | trans | -71 | 60.9 | 151.3 | -73 | -1.5 | 0 | 0 | 0 | 108 | ||||
| 641 | S | 32.4 | Very low | 49.2 | Very low | 84 Ų | 84 | 110.4 Ų | 110.4 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | trans | -110.7 | 46.5 | 177.5 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | G639 L643 | G639-S641 PolarHBondContact O-N 2.87Å; S641-L643 VanDerWaalsContact CA-N 3.27Å | ||
| 642 | I | 37.7 | Very low | 50.8 | Low | 142 Ų | 142 | 108.3 Ų | 108.3 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | -86.9 | 56 | 125.5 | -45.3 | -179.8 | 0 | 0 | 0 | 106.7 | |||||
| 643 | L | 35.4 | Very low | 52.5 | Low | 129 Ų | 129 | 104.2 Ų | 104.2 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -66 | 136.2 | 135.7 | -75.6 | 168.3 | 0 | 0 | 0 | 104.4 | S641 E645 | S641-L643 VanDerWaalsContact CA-N 3.27Å; L643-E645 PolarHBondContact O-N 3.3Å |
| 644 | E | 40 | Very low | 54.5 | Low | 187 Ų | 187 | 100.8 Ų | 100.8 | 87% | 0.874 | 54% | 0.538 | S | S | * | . | trans | -72 | 73.1 | 166.3 | -63.8 | 164.4 | 148 | 0 | 0 | 107.5 | E646 | E644-E646 PolarHBondContact O-N 2.94Š| ||
| 645 | E | 40.6 | Very low | 57.1 | Low | 154 Ų | 154 | 93.1 Ų | 93.1 | 72% | 0.72 | 50% | 0.499 | S | S | * | . | trans | -57.7 | 130.3 | 156.3 | -76.2 | -167.7 | 129 | 0 | 0 | 106.7 | L643 T647 | L643-E645 PolarHBondContact O-N 3.3Å; E645-T647 PolarHBondContact O-N 3.5Å; E645-T647 PolarHBondContact O-OG1 2.7Å | ||
| 646 | E | 48.6 | Very low | 59.3 | Low | 200 Ų | 200 | 91 Ų | 91 | 94% | 0.935 | 47% | 0.466 | S | S | * | . | trans | -61.6 | 75.1 | 172.8 | -69.6 | 178.9 | 113.6 | 0 | 0 | 109.4 | E644 W648 | E644-E646 PolarHBondContact O-N 2.94Å; E646-W648 PolarHBondContact O-N 3.17Å | ||
| 647 | T | 70.1 | Confident | 61.5 | Low | 69 Ų | 69 | 83.2 Ų | 83.2 | 42% | 0.423 | 43% | 0.429 | S | S | . | . | trans | -77.1 | 111.8 | -174.1 | -53.4 | 0 | 0 | 0 | 0 | 106.2 | E645 P649 P650 F651 | E645-T647 PolarHBondContact O-N 3.5Å; E645-T647 PolarHBondContact O-OG1 2.7Å; T647-P649 CarbonylContact C-O 3.56Å; T647-P649 CarbonylContact O-C 3.6Å; T647-P650 VanDerWaalsContact O-CA 3.32Å; T647-P650 WeakPolarHBondContact O-CA 3.45Å; T647-F651 HydrophobicContact CG2-CD2 4.01Å | ||
| 648 | W | 82.8 | Confident | 64.1 | Low | 133 Ų | 133 | 74.3 Ų | 74.3 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -107.4 | 119.4 | 171.1 | -174.3 | -102.5 | 0 | 0 | 0 | 108 | P413 Y414 H463 E646 P650 | P413-W648 WeakPolarHBondContact O-CZ2 3.32Å; Y414-W648 AromaticContact CD1-CE2 3.84Å; Y414-W648 AromaticContact CD1-CZ2 3.93Å; Y414-W648 HydrophobicContact CD1-CZ2 3.93Å; Y414-W648 AromaticContact CD1-NE1 3.88Å; Y414-W648 HydrophobicContact CE1-CZ2 4.19Å; H463-W648 AromaticContact CE1-CH2 2.72Å; H463-W648 WeakPolarHBondContact CE1-CH2 3.41Å; H463-W648 AromaticContact CE1-CZ2 3.86Å; H463-W648 AromaticContact CE1-CZ3 3.15Å; H463-W648 WeakPolarHBondContact CE1-CZ3 3.08Å; H463-W648 AromaticContact ND1-CH2 3.37Å; H463-W648 WeakPolarHBondContact ND1-CH2 3.31Å; H463-W648 AromaticContact ND1-CZ3 3.74Å; H463-W648 AromaticContact NE2-CH2 3.24Å; H463-W648 WeakPolarHBondContact NE2-CH2 3.48Å; H463-W648 AromaticContact NE2-CZ2 3.5Å; E646-W648 PolarHBondContact O-N 3.17Å; W648-P650 HydrophobicContact CE3-CG 4.43Å; W648-P650 HydrophobicContact CZ3-CG 4.27Å |
| 649 | P | 89.5 | Confident | 66.1 | Low | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | S | Bend | cis | -62.4 | 149.7 | 3 | -25.2 | 35.9 | 0 | 0 | 0 | 116.1 | Y414 L443 C465 T647 F651 | Y414-P649 HydrophobicContact CD1-CB 3.85Å; Y414-P649 HydrophobicContact CD1-CG 3.67Å; Y414-P649 HydrophobicContact CD2-CB 4.38Å; Y414-P649 HydrophobicContact CD2-CG 3.88Å; Y414-P649 HydrophobicContact CE1-CB 3.57Å; Y414-P649 HydrophobicContact CE1-CG 3.92Å; Y414-P649 HydrophobicContact CE2-CB 4.11Å; Y414-P649 HydrophobicContact CE2-CG 4.09Å; Y414-P649 HydrophobicContact CG-CB 4.26Å; Y414-P649 HydrophobicContact CG-CG 3.67Å; L443-P649 HydrophobicContact CD2-CG 4.09Å; C465-P649 HydrophobicContact CB-CB 4.05Å; T647-P649 CarbonylContact C-O 3.56Å; T647-P649 CarbonylContact O-C 3.6Å; P649-F651 VanDerWaalsContact C-N 3.31Å; P649-F651 HydrophobicContact CB-CD2 4.33Å; P649-F651 HydrophobicContact CB-CE1 4.27Å; P649-F651 HydrophobicContact CB-CE2 3.93Å; P649-F651 HydrophobicContact CB-CZ 3.9Å; P649-F651 HydrophobicContact CG-CE2 4.05Å; P649-F651 HydrophobicContact CG-CZ 3.92Å; P649-F651 WeakPolarHBondContact O-CD2 3.38Å; P649-F651 PolarHBondContact O-N 3.03Å |
| 650 | P | 91.2 | Very high | 68 | Low | 36 Ų | 36 | 72 Ų | 72 | 23% | 0.234 | 36% | 0.357 | C | S | . | . | trans | -73.1 | 78 | -176.9 | 30.9 | -34.8 | 0 | 0 | 0 | 111.8 | H463 C465 T647 W648 R652 | H463-P650 WeakPolarHBondContact O-CG 3.43Å; C465-P650 HydrophobicContact CB-CG 4.39Å; C465-P650 WeakPolarHBondContact CB-O 3.36Å; C465-P650 PolarHBondContact N-O 3.28Å; T647-P650 VanDerWaalsContact O-CA 3.32Å; T647-P650 WeakPolarHBondContact O-CA 3.45Å; W648-P650 HydrophobicContact CE3-CG 4.43Å; W648-P650 HydrophobicContact CZ3-CG 4.27Å; P650-R652 PolarHBondContact O-N 2.78Å | ||
| 651 | F | 89.9 | Confident | 69.9 | Low | 25 Ų | 25 | 68.5 Ų | 68.5 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 115.3 | -171.2 | -73.3 | -65.5 | 0 | 0 | 0 | 114.2 | L443 F448 A453 C465 Q467 T647 P649 | L443-F651 HydrophobicContact CD1-CE1 4.2Å; L443-F651 HydrophobicContact CD1-CZ 4.21Å; L443-F651 HydrophobicContact CD2-CE1 4.14Å; L443-F651 HydrophobicContact CD2-CZ 4.16Å; F448-F651 HydrophobicContact CB-CZ 4.18Å; F448-F651 AromaticContact CD1-CE2 3.57Å; F448-F651 HydrophobicContact CD1-CE2 3.57Å; F448-F651 AromaticContact CD1-CZ 3.85Å; F448-F651 HydrophobicContact CD1-CZ 3.85Å; F448-F651 HydrophobicContact CD2-CE2 4.13Å; F448-F651 HydrophobicContact CD2-CZ 4.25Å; F448-F651 HydrophobicContact CE1-CD2 4.39Å; F448-F651 AromaticContact CE1-CE2 3.56Å; F448-F651 HydrophobicContact CE1-CE2 3.56Å; F448-F651 HydrophobicContact CE1-CZ 4.31Å; F448-F651 HydrophobicContact CE2-CE2 4.11Å; F448-F651 AromaticContact CG-CE2 3.87Å; F448-F651 HydrophobicContact CG-CE2 3.87Å; F448-F651 AromaticContact CG-CZ 3.82Å; F448-F651 HydrophobicContact CG-CZ 3.82Å; F448-F651 AromaticContact CZ-CE2 3.83Å; F448-F651 HydrophobicContact CZ-CE2 3.83Å; A453-F651 HydrophobicContact CB-CE1 4.35Å; C465-F651 HydrophobicContact CB-CD1 4.07Å; C465-F651 HydrophobicContact CB-CE1 4.42Å; C465-F651 CarbonylContact O-C 3.13Å; C465-F651 VanDerWaalsContact O-CA 3.3Å; C465-F651 WeakPolarHBondContact O-CA 3.44Å; Q467-F651 HydrophobicContact CB-CD1 4.23Å; T647-F651 HydrophobicContact CG2-CD2 4.01Å; P649-F651 VanDerWaalsContact C-N 3.31Å; P649-F651 HydrophobicContact CB-CD2 4.33Å; P649-F651 HydrophobicContact CB-CE1 4.27Å; P649-F651 HydrophobicContact CB-CE2 3.93Å; P649-F651 HydrophobicContact CB-CZ 3.9Å; P649-F651 HydrophobicContact CG-CE2 4.05Å; P649-F651 HydrophobicContact CG-CZ 3.92Å; P649-F651 WeakPolarHBondContact O-CD2 3.38Å; P649-F651 PolarHBondContact O-N 3.03Å |
| 652 | R | 90.2 | Very high | 71.4 | Confident | 50 Ų | 50 | 72 Ų | 72 | 19% | 0.189 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 104.2 | 168.6 | -171.8 | -174.2 | -171.8 | 173.3 | 9.1 | 110.4 | V464 C465 Y466 Q467 D523 W524 D567 P650 V654 | V464-R652 HydrophobicContact CG1-CB 3.73Å; C465-R652 PolarHBondContact O-N 2.92Å; Y466-R652 VanDerWaalsContact CA-O 3.31Å; Y466-R652 WeakPolarHBondContact CA-O 3.23Å; Q467-R652 PolarHBondContact N-O 3.19Å; D523-R652 PolarHBondContact O-NH1 3.06Å; D523-R652 PolarHBondContact O-NH2 3.48Å; W524-R652 PolarHBondContact O-NH1 2.88Å; D567-R652 IonicContact OD1-CZ 3.35Å; D567-R652 IonicContact OD1-NE 3.74Å; D567-R652 PolarHBondContact OD1-NE 2.89Å; D567-R652 IonicContact OD1-NH2 2.68Å; D567-R652 PolarHBondContact OD1-NH2 3.46Å; D567-R652 IonicContact OD2-CZ 3.88Å; D567-R652 IonicContact OD2-NE 3.54Å; D567-R652 PolarHBondContact OD2-NE 2.87Å; D567-R652 IonicContact OD2-NH2 2.71Å; P650-R652 PolarHBondContact O-N 2.78Å; R652-V654 HydrophobicContact CG-CG1 4.49Å |
| 653 | P | 88.6 | Confident | 72.5 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 8% | 0.078 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 133.2 | 179.4 | 20.7 | -20.9 | 0 | 0 | 0 | 112.8 | Q467 S658 R662 | Q467-P653 HydrophobicContact CB-CB 4.08Å; Q467-P653 HydrophobicContact CG-CB 4.41Å; Q467-P653 CarbonylContact O-C 3.6Å; Q467-P653 VanDerWaalsContact O-CA 3.24Å; Q467-P653 WeakPolarHBondContact O-CA 3.05Å; P653-S658 VanDerWaalsContact CB-OG 3.31Å; P653-S658 WeakPolarHBondContact CB-OG 3.42Å; P653-R662 VanDerWaalsContact CG-NE 3.31Å |
| 654 | V | 89.7 | Confident | 73.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -135.2 | 169.3 | -175.4 | -68.2 | 0 | 0 | 0 | 0 | 110.6 | Y466 Q467 F468 V515 V526 R652 S658 | Y466-V654 HydrophobicContact CD1-CB 4.29Å; Y466-V654 HydrophobicContact CD1-CG1 3.61Å; Y466-V654 HydrophobicContact CD1-CG2 3.67Å; Y466-V654 HydrophobicContact CE1-CG1 3.96Å; Y466-V654 HydrophobicContact CG-CG2 4.25Å; Q467-V654 PolarHBondContact O-N 3.06Å; F468-V654 HydrophobicContact CD1-CG2 4.11Å; F468-V654 HydrophobicContact CE1-CG2 3.57Å; F468-V654 HydrophobicContact CZ-CG2 3.85Å; V515-V654 HydrophobicContact CG1-CB 4.32Å; V515-V654 HydrophobicContact CG1-CG2 4.15Å; V526-V654 HydrophobicContact CG2-CB 4.04Å; V526-V654 HydrophobicContact CG2-CG1 3.58Å; R652-V654 HydrophobicContact CG-CG1 4.49Å; V654-S658 WeakPolarHBondContact O-CB 3.39Å | ||
| 655 | G | 85.9 | Confident | 74 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 78.9 | 156.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E513 R659 | E513-G655 WeakPolarHBondContact OE1-CA 3.47Å; G655-R659 WeakPolarHBondContact O-CG 3.42Å; G655-R659 PolarHBondContact O-N 3.5Å |
| 656 | Y | 79 | Confident | 74.7 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | -178.5 | -167.4 | -93.1 | 0 | 0 | 0 | 111.2 | E513 C534 F537 T605 W607 H617 T620 S658 R659 A660 | E513-Y656 PolarHBondContact OE1-N 3.07Å; E513-Y656 WeakPolarHBondContact OE2-CA 3.35Å; E513-Y656 WeakPolarHBondContact OE2-CB 3.46Å; E513-Y656 PolarHBondContact OE2-N 3.47Å; C534-Y656 HydrophobicContact CB-CD1 4.3Å; C534-Y656 WeakPolarHBondContact O-CD1 3.09Å; F537-Y656 HydrophobicContact CD1-CD1 4.24Å; F537-Y656 AromaticContact CD1-CE1 3.68Å; F537-Y656 HydrophobicContact CD1-CE1 3.68Å; F537-Y656 HydrophobicContact CE1-CE1 4.01Å; F537-Y656 HydrophobicContact CG-CE1 4.39Å; T605-Y656 WeakPolarHBondContact CG2-OH 3.26Å; W607-Y656 HydrophobicContact CZ2-CE1 4.2Å; H617-Y656 AromaticContact CD2-CE2 3.8Å; H617-Y656 AromaticContact NE2-CE2 3.92Å; T620-Y656 PolarHBondContact OG1-OH 3.05Å; Y656-S658 VanDerWaalsContact C-N 3.29Å; Y656-S658 PolarHBondContact O-N 2.88Å; Y656-R659 PolarHBondContact O-N 2.66Å; Y656-A660 VanDerWaalsContact O-CB 3.27Å; Y656-A660 WeakPolarHBondContact O-CB 3.34Å; Y656-A660 PolarHBondContact O-N 2.71Å |
| 657 | C | 82 | Confident | 75.3 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | E513 C534 Q661 | E513-C657 WeakPolarHBondContact OE1-CB 3.47Å; E513-C657 PolarHBondContact OE1-N 2.82Å; E513-C657 PolarHBondContact OE1-SG 3.09Å; E513-C657 VanDerWaalsContact OE1-SG 3.38Å; E513-C657 PolarHBondContact OE2-N 3.15Å; C534-C657 HydrophobicContact CB-CB 4.25Å; C534-C657 WeakPolarHBondContact CB-SG 3.26Å; C534-C657 WeakPolarHBondContact SG-CB 3.4Å; C534-C657 CovalentContact SG-SG 2.04Å; C534-C657 PolarHBondContact SG-SG 3.38Å; C657-Q661 WeakPolarHBondContact O-CB 3.38Å; C657-Q661 VanDerWaalsContact O-CG 3.3Å; C657-Q661 WeakPolarHBondContact O-CG 3.27Å; C657-Q661 PolarHBondContact O-N 2.86Å |
| 658 | S | 83 | Confident | 75.5 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -74.3 | -42 | -178.1 | -153 | 0 | 0 | 0 | 0 | 112.6 | P653 V654 Y656 A660 Q661 R662 | P653-S658 VanDerWaalsContact CB-OG 3.31Å; P653-S658 WeakPolarHBondContact CB-OG 3.42Å; V654-S658 WeakPolarHBondContact O-CB 3.39Å; Y656-S658 VanDerWaalsContact C-N 3.29Å; Y656-S658 PolarHBondContact O-N 2.88Å; S658-A660 VanDerWaalsContact C-N 3.3Å; S658-A660 PolarHBondContact O-N 2.91Å; S658-Q661 PolarHBondContact O-N 3.04Å; S658-R662 PolarHBondContact O-N 2.89Å |
| 659 | R | 73.4 | Confident | 75.7 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 27% | 0.268 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 173.7 | -71.3 | 176.9 | 179.9 | 168.9 | 3.3 | 111.3 | D567 G655 Y656 | D567-R659 IonicContact OD2-NH2 2.73Å; G655-R659 WeakPolarHBondContact O-CG 3.42Å; G655-R659 PolarHBondContact O-N 3.5Å; Y656-R659 PolarHBondContact O-N 2.66Å |
| 660 | A | 68.6 | Low | 75.8 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F537 W603 Y656 S658 R662 Q663 S664 | F537-A660 HydrophobicContact CB-CB 4.11Å; F537-A660 HydrophobicContact CD2-CB 3.45Å; F537-A660 VanDerWaalsContact CD2-CB 3.45Å; F537-A660 HydrophobicContact CE2-CB 4.08Å; F537-A660 HydrophobicContact CG-CB 3.8Å; W603-A660 HydrophobicContact CH2-CB 4.15Å; W603-A660 HydrophobicContact CZ3-CB 3.81Å; Y656-A660 VanDerWaalsContact O-CB 3.27Å; Y656-A660 WeakPolarHBondContact O-CB 3.34Å; Y656-A660 PolarHBondContact O-N 2.71Å; S658-A660 VanDerWaalsContact C-N 3.3Å; S658-A660 PolarHBondContact O-N 2.91Å; A660-R662 VanDerWaalsContact C-N 3.32Å; A660-R662 PolarHBondContact O-N 3.03Å; A660-Q663 PolarHBondContact O-N 3.46Å; A660-S664 PolarHBondContact O-N 2.68Å; A660-S664 PolarHBondContact O-OG 2.68Å |
| 661 | Q | 69.4 | Low | 75.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 44% | 0.439 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 177.9 | -81 | 169 | -4.4 | 0 | 0 | 113.6 | G469 C657 S658 Q663 S664 | G469-Q661 PolarHBondContact O-NE2 2.78Å; G469-Q661 PolarHBondContact O-OE1 3.12Å; C657-Q661 WeakPolarHBondContact O-CB 3.38Å; C657-Q661 VanDerWaalsContact O-CG 3.3Å; C657-Q661 WeakPolarHBondContact O-CG 3.27Å; C657-Q661 PolarHBondContact O-N 2.86Å; S658-Q661 PolarHBondContact O-N 3.04Å; Q661-Q663 PolarHBondContact O-N 2.9Å; Q661-S664 WeakPolarHBondContact CA-OG 3.23Å; Q661-S664 PolarHBondContact O-N 2.93Å; Q661-S664 VanDerWaalsContact O-O 3.07Å; Q661-S664 PolarHBondContact O-OG 3.13Å |
| 662 | R | 64.8 | Low | 76 | Confident | 157 Ų | 157 | 58.7 Ų | 58.7 | 59% | 0.592 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -61.5 | -23.4 | 175.3 | -97.1 | -168.6 | 166.3 | -176 | 2.2 | 114.1 | P653 S658 A660 | P653-R662 VanDerWaalsContact CG-NE 3.31Å; S658-R662 PolarHBondContact O-N 2.89Å; A660-R662 VanDerWaalsContact C-N 3.32Å; A660-R662 PolarHBondContact O-N 3.03Å |
| 663 | Q | 59.6 | Low | 76.3 | Confident | 88 Ų | 88 | 57 Ų | 57 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -106.6 | -23.2 | -177.2 | -59.7 | 174.6 | 13 | 0 | 0 | 112.3 | W603 A660 Q661 I665 | W603-Q663 HydrophobicContact CH2-CB 3.7Å; W603-Q663 HydrophobicContact CH2-CG 4.42Å; W603-Q663 HydrophobicContact CZ2-CB 3.51Å; A660-Q663 PolarHBondContact O-N 3.46Å; Q661-Q663 PolarHBondContact O-N 2.9Å; Q663-I665 PolarHBondContact O-N 3.41Å |
| 664 | S | 54.2 | Low | 76.7 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -80.2 | 99.4 | 166.5 | 65.6 | 0 | 0 | 0 | 0 | 110 | A660 Q661 E666 | A660-S664 PolarHBondContact O-N 2.68Å; A660-S664 PolarHBondContact O-OG 2.68Å; Q661-S664 WeakPolarHBondContact CA-OG 3.23Å; Q661-S664 PolarHBondContact O-N 2.93Å; Q661-S664 VanDerWaalsContact O-O 3.07Å; Q661-S664 PolarHBondContact O-OG 3.13Å; S664-E666 PolarHBondContact O-N 3.42Å |
| 665 | I | 53.3 | Low | 77 | Confident | 94 Ų | 94 | 57.1 Ų | 57.1 | 48% | 0.482 | 27% | 0.274 | S | S | . | . | trans | -48.4 | 132.9 | 165.5 | -57.1 | 170.9 | 0 | 0 | 0 | 108.2 | Q663 N667 Y668 | Q663-I665 PolarHBondContact O-N 3.41Å; I665-N667 CarbonylContact O-C 3.52Å; I665-N667 PolarHBondContact O-N 2.71Å; I665-Y668 PolarHBondContact O-N 3.19Å | ||
| 666 | E | 54.9 | Low | 77.6 | Confident | 193 Ų | 193 | 59.6 Ų | 59.6 | 90% | 0.902 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -60.8 | -8.2 | -172.8 | -65.5 | -176.8 | 137.3 | 0 | 0 | 114.3 | S664 | S664-E666 PolarHBondContact O-N 3.42Š|
| 667 | N | 62.2 | Low | 78.5 | Confident | 144 Ų | 144 | 58.5 Ų | 58.5 | 77% | 0.77 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -127.5 | 95.2 | 161.3 | -68.6 | -89.7 | 0 | 0 | 0 | 109 | I665 | I665-N667 CarbonylContact O-C 3.52Å; I665-N667 PolarHBondContact O-N 2.71Å |
| 668 | Y | 73.4 | Confident | 79.1 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 36% | 0.357 | 29% | 0.29 | S | S | . | . | trans | -83.2 | 148.6 | 168.8 | 58.2 | -99.8 | 0 | 0 | 0 | 110.6 | T538 S600 N601 I665 | T538-Y668 HydrophobicContact CG2-CE1 4.5Å; S600-Y668 WeakPolarHBondContact O-CD2 3.32Å; S600-Y668 WeakPolarHBondContact O-CE2 3.4Å; S600-Y668 PolarHBondContact OG-OH 2.96Å; N601-Y668 HydrophobicContact CB-CD1 3.79Å; N601-Y668 HydrophobicContact CB-CD2 4.1Å; N601-Y668 HydrophobicContact CB-CE1 4.12Å; N601-Y668 HydrophobicContact CB-CE2 4.41Å; N601-Y668 HydrophobicContact CB-CG 3.78Å; I665-Y668 PolarHBondContact O-N 3.19Å | ||
| 669 | D | 87.4 | Confident | 79.7 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 7% | 0.07 | 29% | 0.293 | C | S | . | . | trans | -71.8 | 123 | -179.7 | -168.4 | -44.1 | 0 | 0 | 0 | 110.6 | L632 R671 L672 | L632-D669 HydrophobicContact CD1-CB 3.97Å; D669-R671 PolarHBondContact O-N 2.86Å; D669-R671 VanDerWaalsContact O-N 3.11Å; D669-R671 WeakPolarHBondContact OD1-CB 3.41Å; D669-R671 VanDerWaalsContact OD1-CG 3.23Å; D669-R671 WeakPolarHBondContact OD1-CG 3.36Å; D669-R671 PolarHBondContact OD1-N 2.92Å; D669-R671 IonicContact OD1-NE 3.83Å; D669-R671 PolarHBondContact OD1-NE 2.85Å; D669-R671 VanDerWaalsContact OD1-NE 3.08Å; D669-R671 IonicContact OD2-CZ 3.87Å; D669-R671 IonicContact OD2-NE 3.85Å; D669-R671 PolarHBondContact OD2-NE 2.87Å; D669-R671 IonicContact OD2-NH2 3.5Å; D669-R671 PolarHBondContact OD2-NH2 3.22Å; D669-L672 HydrophobicContact CB-CD1 3.95Å; D669-L672 HydrophobicContact CB-CG 4.16Å; D669-L672 VanDerWaalsContact O-CB 3.31Å; D669-L672 WeakPolarHBondContact O-CB 3.34Å; D669-L672 PolarHBondContact O-N 3.35Å | ||
| 670 | P | 90.4 | Very high | 80.5 | Confident | 97 Ų | 97 | 59.2 Ų | 59.2 | 63% | 0.63 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.1 | -18.9 | -179.4 | 26.1 | -35 | 0 | 0 | 0 | 113.3 | L672 A673 A705 | P670-L672 PolarHBondContact O-N 3.36Å; P670-A673 WeakPolarHBondContact O-CB 3.42Å; P670-A673 PolarHBondContact O-N 2.83Å; P670-A705 WeakPolarHBondContact O-CB 3.41Å |
| 671 | R | 93.1 | Very high | 81.4 | Confident | 52 Ų | 52 | 61.9 Ų | 61.9 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -63.7 | -26.9 | 171.2 | -63.7 | 177.9 | -72.9 | 174.2 | 0.8 | 112.5 | D669 A673 A705 G706 Q708 A753 L754 S755 L756 | D669-R671 PolarHBondContact O-N 2.86Å; D669-R671 VanDerWaalsContact O-N 3.11Å; D669-R671 WeakPolarHBondContact OD1-CB 3.41Å; D669-R671 VanDerWaalsContact OD1-CG 3.23Å; D669-R671 WeakPolarHBondContact OD1-CG 3.36Å; D669-R671 PolarHBondContact OD1-N 2.92Å; D669-R671 IonicContact OD1-NE 3.83Å; D669-R671 PolarHBondContact OD1-NE 2.85Å; D669-R671 VanDerWaalsContact OD1-NE 3.08Å; D669-R671 IonicContact OD2-CZ 3.87Å; D669-R671 IonicContact OD2-NE 3.85Å; D669-R671 PolarHBondContact OD2-NE 2.87Å; D669-R671 IonicContact OD2-NH2 3.5Å; D669-R671 PolarHBondContact OD2-NH2 3.22Å; R671-A673 VanDerWaalsContact C-N 3.32Å; R671-A705 PolarHBondContact O-N 3.32Å; R671-G706 PolarHBondContact O-N 2.71Å; R671-Q708 PolarHBondContact O-NE2 2.89Å; R671-Q708 PolarHBondContact O-OE1 3.29Å; R671-A753 HydrophobicContact CG-CB 4.27Å; R671-L754 WeakPolarHBondContact CD-O 3.39Å; R671-L754 PolarHBondContact NH1-O 3.28Å; R671-S755 PolarHBondContact NH1-O 2.77Å; R671-S755 VanDerWaalsContact NH1-O 3.08Å; R671-L756 HydrophobicContact CB-CD1 4.15Å; R671-L756 HydrophobicContact CB-CD2 4.27Å; R671-L756 HydrophobicContact CB-CG 4.15Å |
| 672 | L | 93.6 | Very high | 82.1 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -72.9 | -24 | 179.5 | -69.8 | 166.8 | 0 | 0 | 0 | 112.8 | G602 F627 L629 D669 P670 I674 L756 | G602-L672 WeakPolarHBondContact CA-O 2.85Å; F627-L672 HydrophobicContact CD2-CD2 3.89Å; F627-L672 HydrophobicContact CE2-CD2 4.38Å; L629-L672 HydrophobicContact CD1-CD1 3.94Å; L629-L672 HydrophobicContact CD2-CD1 4.24Å; D669-L672 HydrophobicContact CB-CD1 3.95Å; D669-L672 HydrophobicContact CB-CG 4.16Å; D669-L672 VanDerWaalsContact O-CB 3.31Å; D669-L672 WeakPolarHBondContact O-CB 3.34Å; D669-L672 PolarHBondContact O-N 3.35Å; P670-L672 PolarHBondContact O-N 3.36Å; L672-I674 PolarHBondContact O-N 2.95Å; L672-L756 HydrophobicContact CD2-CD1 3.68Å; L672-L756 HydrophobicContact CG-CD1 4.22Å |
| 673 | A | 95.2 | Very high | 82.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 12% | 0.116 | 26% | 0.257 | C | S | . | . | trans | -47.3 | 131 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S600 P670 R671 T675 G704 A705 | S600-A673 VanDerWaalsContact O-CA 3.22Å; S600-A673 WeakPolarHBondContact O-CA 3.48Å; S600-A673 VanDerWaalsContact O-CB 3.25Å; S600-A673 WeakPolarHBondContact O-CB 3.42Å; P670-A673 WeakPolarHBondContact O-CB 3.42Å; P670-A673 PolarHBondContact O-N 2.83Å; R671-A673 VanDerWaalsContact C-N 3.32Å; A673-T675 PolarHBondContact O-N 3.27Å; A673-G704 CarbonylContact O-C 3.53Å; A673-G704 WeakPolarHBondContact O-CA 3.29Å; A673-A705 HydrophobicContact CB-CB 4.18Å; A673-A705 PolarHBondContact O-N 2.83Å | ||
| 674 | I | 97.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.3 | -178.1 | -53.7 | -47.9 | 0 | 0 | 0 | 109.8 | T541 A542 H599 W603 V604 T623 L672 L677 V702 | T541-I674 CarbonylContact C-O 3.39Å; T541-I674 WeakPolarHBondContact CB-O 3.27Å; T541-I674 PolarHBondContact OG1-O 2.85Å; A542-I674 HydrophobicContact CB-CG2 4.06Å; H599-I674 PolarHBondContact O-N 3.38Å; W603-I674 VanDerWaalsContact O-CG1 3.32Å; W603-I674 WeakPolarHBondContact O-CG1 3.2Å; V604-I674 HydrophobicContact CG2-CD1 4.4Å; V604-I674 HydrophobicContact CG2-CG1 4.07Å; V604-I674 HydrophobicContact CG2-CG2 4.49Å; T623-I674 HydrophobicContact CG2-CD1 4.21Å; L672-I674 PolarHBondContact O-N 2.95Å; I674-L677 HydrophobicContact CG2-CD1 4.46Å; I674-L677 HydrophobicContact CG2-CD2 3.79Å; I674-L677 HydrophobicContact CG2-CG 3.83Å; I674-V702 HydrophobicContact CD1-CG1 3.5Å; I674-V702 HydrophobicContact CG1-CG1 4.19Å; I674-V702 HydrophobicContact CG2-CG1 3.8Å |
| 675 | T | 97.2 | Very high | 83.6 | Confident | 14 Ų | 14 | 47.5 Ų | 47.5 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -19.7 | -172.9 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | A673 G703 G704 A705 Q786 I787 | A673-T675 PolarHBondContact O-N 3.27Å; T675-G703 PolarHBondContact N-O 2.85Å; T675-G703 PolarHBondContact OG1-O 2.9Å; T675-G704 PolarHBondContact OG1-O 2.87Å; T675-A705 HydrophobicContact CG2-CB 3.96Å; T675-Q786 HydrophobicContact CG2-CG 3.91Å; T675-Q786 VanDerWaalsContact CG2-NE2 3.25Å; T675-I787 WeakPolarHBondContact CB-O 3.04Å; T675-I787 PolarHBondContact OG1-O 2.9Å |
| 676 | Q | 97.5 | Very high | 83.9 | Confident | 60 Ų | 60 | 46.2 Ų | 46.2 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 143.9 | 171.4 | -73.3 | -65.6 | -79.1 | 0 | 0 | 111.1 | G703 I787 L790 | Q676-G703 PolarHBondContact N-O 2.8Å; Q676-G703 VanDerWaalsContact N-O 3.11Å; Q676-G703 PolarHBondContact O-N 3.34Å; Q676-I787 HydrophobicContact CB-CG2 4.11Å; Q676-I787 HydrophobicContact CG-CG2 4.11Å; Q676-L790 HydrophobicContact CB-CD1 3.73Å; Q676-L790 HydrophobicContact CB-CG 3.94Å |
| 677 | L | 97.9 | Very high | 83.7 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.6 | 174.7 | -73.5 | 174.8 | 0 | 0 | 0 | 110.3 | A542 T544 V596 V604 I674 L700 V702 | A542-L677 HydrophobicContact CB-CD1 4.03Å; A542-L677 HydrophobicContact CB-CG 3.98Å; T544-L677 HydrophobicContact CG2-CB 3.59Å; T544-L677 HydrophobicContact CG2-CD1 4.41Å; V596-L677 HydrophobicContact CB-CD1 4.49Å; V596-L677 HydrophobicContact CG1-CD1 4.03Å; V604-L677 HydrophobicContact CG1-CD1 4.18Å; V604-L677 HydrophobicContact CG1-CD2 3.88Å; V604-L677 HydrophobicContact CG2-CD2 3.85Å; I674-L677 HydrophobicContact CG2-CD1 4.46Å; I674-L677 HydrophobicContact CG2-CD2 3.79Å; I674-L677 HydrophobicContact CG2-CG 3.83Å; L677-L700 HydrophobicContact CD2-CD1 4.2Å; L677-V702 HydrophobicContact CD2-CB 4.38Å; L677-V702 HydrophobicContact CD2-CG1 4Å; L677-V702 HydrophobicContact CD2-CG2 4.09Å |
| 678 | L | 95.8 | Very high | 82.9 | Confident | 40 Ų | 40 | 36 Ų | 36 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.4 | 170.8 | 170.8 | 62.7 | 0 | 0 | 0 | 108.5 | L680 V701 L790 L792 | L678-L680 HydrophobicContact CD1-CD1 3.94Å; L678-L680 HydrophobicContact CD2-CD1 4.18Å; L678-L680 HydrophobicContact CG-CD1 3.67Å; L678-V701 HydrophobicContact CB-CB 4.18Å; L678-V701 HydrophobicContact CB-CG2 4.4Å; L678-V701 HydrophobicContact CD2-CG2 4.4Å; L678-V701 HydrophobicContact CG-CG2 4.41Å; L678-V701 PolarHBondContact N-O 2.71Å; L678-V701 PolarHBondContact O-N 2.98Å; L678-L790 HydrophobicContact CB-CB 4.27Å; L678-L790 HydrophobicContact CD2-CB 4.37Å; L678-L792 HydrophobicContact CD2-CB 3.75Å |
| 679 | V | 93.9 | Very high | 81.6 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.4 | -177.5 | 63 | 0 | 0 | 0 | 0 | 109.8 | T544 I546 V596 L698 T699 L700 | T544-V679 HydrophobicContact CG2-CB 4.3Å; T544-V679 HydrophobicContact CG2-CG1 3.7Å; I546-V679 HydrophobicContact CB-CG1 3.92Å; I546-V679 HydrophobicContact CD1-CG1 4.49Å; I546-V679 HydrophobicContact CG2-CG1 3.91Å; I546-V679 HydrophobicContact CG2-CG2 4.24Å; V596-V679 HydrophobicContact CG2-CB 4.33Å; V596-V679 HydrophobicContact CG2-CG1 4.12Å; V596-V679 HydrophobicContact CG2-CG2 4.33Å; V679-L698 HydrophobicContact CG2-CD1 3.67Å; V679-L698 HydrophobicContact CG2-CD2 4.01Å; V679-L698 HydrophobicContact CG2-CG 3.79Å; V679-T699 WeakPolarHBondContact CA-O 3.18Å; V679-L700 HydrophobicContact CB-CD1 4.32Å |
| 680 | L | 91.1 | Very high | 79.8 | Confident | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.199 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150 | 178.2 | -61.6 | 88.7 | 0 | 0 | 0 | 110.1 | L678 L698 T699 L792 L794 | L678-L680 HydrophobicContact CD1-CD1 3.94Å; L678-L680 HydrophobicContact CD2-CD1 4.18Å; L678-L680 HydrophobicContact CG-CD1 3.67Å; L680-L698 WeakPolarHBondContact O-CA 3.35Å; L680-T699 PolarHBondContact N-O 2.94Å; L680-T699 PolarHBondContact O-N 2.8Å; L680-L792 HydrophobicContact CD1-CB 4.33Å; L680-L792 HydrophobicContact CD1-CD2 4.01Å; L680-L794 HydrophobicContact CB-CD1 4.06Å; L680-L794 HydrophobicContact CD2-CD1 3.95Å; L680-L794 HydrophobicContact CD2-CG 4.14Å |
| 681 | L | 88.3 | Confident | 77.8 | Confident | 60 Ų | 60 | 40.8 Ų | 40.8 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 145.9 | 162.7 | -63.3 | 175.7 | 0 | 0 | 0 | 109.8 | I546 V549 L553 | I546-L681 HydrophobicContact CD1-CD2 4.42Å; I546-L681 HydrophobicContact CD1-CG 3.87Å; V549-L681 HydrophobicContact CG1-CD2 4.17Å; V549-L681 HydrophobicContact CG2-CD2 4.37Å; L553-L681 HydrophobicContact CD2-CD2 4.05Å |
| 682 | G | 83.5 | Confident | 75.8 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | S | Bend | trans | 91.5 | 178.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T697 L698 T699 | G682-T697 VanDerWaalsContact CA-OG1 3.27Å; G682-T697 WeakPolarHBondContact CA-OG1 3.34Å; G682-T697 PolarHBondContact N-O 3.12Å; G682-L698 CarbonylContact O-C 3.54Å; G682-T699 PolarHBondContact O-N 2.85Å; G682-T699 PolarHBondContact O-OG1 2.91Å |
| 683 | S | 75.9 | Confident | 74 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -136 | 144.3 | -178.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | I685 T697 T699 F719 | S683-I685 PolarHBondContact OG-N 3.36Å; S683-T697 PolarHBondContact N-OG1 2.72Å; S683-T699 WeakPolarHBondContact CA-OG1 3.26Å; S683-F719 WeakPolarHBondContact OG-CZ 3.29Å | ||
| 684 | P | 69.4 | Low | 72.5 | Confident | 24 Ų | 24 | 44.9 Ų | 44.9 | 16% | 0.156 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -71.6 | -19.2 | 169.6 | 29.4 | -33.7 | 0 | 0 | 0 | 112.5 | T699 L794 N797 | P684-T699 VanDerWaalsContact CD-OG1 3.32Å; P684-T699 WeakPolarHBondContact CD-OG1 3.39Å; P684-L794 HydrophobicContact CB-CD2 3.8Å; P684-L794 HydrophobicContact CG-CD2 4.14Å; P684-N797 WeakPolarHBondContact CB-OD1 3.47Å; P684-N797 PolarHBondContact O-OD1 2.92Å |
| 685 | I | 64.8 | Low | 70.9 | Confident | 23 Ų | 23 | 49 Ų | 49 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -83.5 | 131.1 | -179.6 | -58.1 | 168.9 | 0 | 0 | 0 | 109.1 | S683 V713 F719 L725 C776 | S683-I685 PolarHBondContact OG-N 3.36Å; I685-V713 HydrophobicContact CD1-CG2 4.48Å; I685-F719 HydrophobicContact CB-CZ 4.02Å; I685-F719 HydrophobicContact CG2-CZ 4.27Å; I685-F719 WeakPolarHBondContact O-CE2 3.43Å; I685-F719 WeakPolarHBondContact O-CZ 3.49Å; I685-L725 HydrophobicContact CD1-CD1 4.13Å; I685-L725 HydrophobicContact CD1-CD2 3.34Å; I685-L725 HydrophobicContact CD1-CG 3.76Å; I685-C776 HydrophobicContact CD1-CB 3.74Å |
| 686 | R | 59.6 | Low | 69.9 | Low | 68 Ų | 68 | 50.8 Ų | 50.8 | 26% | 0.257 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 133.3 | 177.4 | -69.2 | -172.6 | -178.9 | -82.2 | -29.2 | 110.9 | G688 D691 Y1050 R1051 N1052 | R686-G688 PolarHBondContact O-N 2.9Å; R686-D691 IonicContact CZ-OD1 3.15Å; R686-D691 IonicContact NH1-OD1 2.73Å; R686-D691 PolarHBondContact NH1-OD1 3.25Å; R686-Y1050 PolarHBondContact NH1-OH 3.47Å; R686-Y1050 VanDerWaalsContact NH1-OH 3.16Å; R686-Y1050 VanDerWaalsContact NH2-CZ 3.27Å; R686-Y1050 PolarHBondContact NH2-OH 3.36Å; R686-R1051 PolarHBondContact NH2-O 2.88Å; R686-N1052 VanDerWaalsContact NH2-CB 3.26Å |
| 687 | S | 50.4 | Low | 69.2 | Low | 37 Ų | 37 | 47.9 Ų | 47.9 | 26% | 0.259 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 120.5 | 161.1 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | V689 S690 | S687-V689 PolarHBondContact O-N 3.45Å; S687-S690 PolarHBondContact O-N 3.26Å; S687-S690 VanDerWaalsContact O-O 3.08Å |
| 688 | G | 45.3 | Very low | 68.9 | Low | 86 Ų | 86 | 47.2 Ų | 47.2 | 89% | 0.887 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 18 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R686 | R686-G688 PolarHBondContact O-N 2.9Š|
| 689 | V | 47.1 | Very low | 68.7 | Low | 139 Ų | 139 | 45.3 Ų | 45.3 | 84% | 0.842 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.8 | -10.3 | -174.7 | -161.3 | 0 | 0 | 0 | 0 | 111.9 | S687 | S687-V689 PolarHBondContact O-N 3.45Š|
| 690 | S | 47.8 | Very low | 68.7 | Low | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | trans | -160.4 | 145.2 | 179.1 | -172 | 0 | 0 | 0 | 0 | 112.2 | S687 S692 | S687-S690 PolarHBondContact O-N 3.26Å; S687-S690 VanDerWaalsContact O-O 3.08Å; S690-S692 PolarHBondContact O-N 3.3Å; S690-S692 WeakPolarHBondContact OG-CB 3.21Å; S690-S692 PolarHBondContact OG-N 3.15Å | ||
| 691 | D | 49.4 | Very low | 69 | Low | 92 Ų | 92 | 43 Ų | 43 | 49% | 0.492 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -71.2 | -4.1 | 169.6 | -87.9 | -53 | 0 | 0 | 0 | 113.9 | R686 | R686-D691 IonicContact CZ-OD1 3.15Å; R686-D691 IonicContact NH1-OD1 2.73Å; R686-D691 PolarHBondContact NH1-OD1 3.25Å |
| 692 | S | 51.1 | Low | 69.5 | Low | 72 Ų | 72 | 40.3 Ų | 40.3 | 50% | 0.503 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -72.3 | 128.3 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | S690 A694 | S690-S692 PolarHBondContact O-N 3.3Å; S690-S692 WeakPolarHBondContact OG-CB 3.21Å; S690-S692 PolarHBondContact OG-N 3.15Å; S692-A694 PolarHBondContact O-N 3.04Å |
| 693 | V | 55.7 | Low | 70.2 | Confident | 67 Ų | 67 | 40.1 Ų | 40.1 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | trans | -57.1 | 125.5 | 162.2 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | P695 | V693-P695 WeakPolarHBondContact O-CD 3.36Š| ||
| 694 | A | 63.6 | Low | 71.2 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | trans | -63 | 109.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S692 D696 T697 F719 | S692-A694 PolarHBondContact O-N 3.04Å; A694-D696 PolarHBondContact O-N 3.42Å; A694-D696 VanDerWaalsContact O-N 3.15Å; A694-T697 HydrophobicContact CB-CG2 3.65Å; A694-T697 PolarHBondContact O-N 2.87Å; A694-T697 PolarHBondContact O-OG1 2.85Å; A694-F719 HydrophobicContact CB-CD2 4.2Å; A694-F719 HydrophobicContact CB-CE2 4.34Å | ||
| 695 | P | 63.9 | Low | 72.5 | Confident | 87 Ų | 87 | 40.1 Ų | 40.1 | 57% | 0.565 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.1 | -173.9 | 30.6 | -36.6 | 0 | 0 | 0 | 112.2 | V693 T697 | V693-P695 WeakPolarHBondContact O-CD 3.36Å; P695-T697 VanDerWaalsContact C-N 3.25Å; P695-T697 PolarHBondContact O-N 3.49Å |
| 696 | D | 76.1 | Confident | 73.9 | Confident | 51 Ų | 51 | 39.1 Ų | 39.1 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 22.2 | -177.8 | -99.8 | 54.4 | 0 | 0 | 0 | 113.2 | R556 A694 | R556-D696 IonicContact CZ-OD2 3.19Å; R556-D696 IonicContact NH1-OD2 3.2Å; R556-D696 PolarHBondContact NH1-OD2 3.38Å; R556-D696 VanDerWaalsContact NH2-CB 3.34Å; R556-D696 PolarHBondContact NH2-O 3.14Å; R556-D696 IonicContact NH2-OD2 3.84Å; R556-D696 PolarHBondContact NH2-OD2 3.15Å; A694-D696 PolarHBondContact O-N 3.42Å; A694-D696 VanDerWaalsContact O-N 3.15Å |
| 697 | T | 83.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -128 | 160 | -178.7 | 63.4 | 0 | 0 | 0 | 0 | 112 | G682 S683 A694 P695 A714 F719 | G682-T697 VanDerWaalsContact CA-OG1 3.27Å; G682-T697 WeakPolarHBondContact CA-OG1 3.34Å; G682-T697 PolarHBondContact N-O 3.12Å; S683-T697 PolarHBondContact N-OG1 2.72Å; A694-T697 HydrophobicContact CB-CG2 3.65Å; A694-T697 PolarHBondContact O-N 2.87Å; A694-T697 PolarHBondContact O-OG1 2.85Å; P695-T697 VanDerWaalsContact C-N 3.25Å; P695-T697 PolarHBondContact O-N 3.49Å; T697-A714 CarbonylContact C-O 3.56Å; T697-A714 VanDerWaalsContact CA-O 3.32Å; T697-A714 WeakPolarHBondContact CA-O 3.47Å; T697-A714 WeakPolarHBondContact CB-O 3.46Å; T697-F719 HydrophobicContact CG2-CD1 3.9Å; T697-F719 HydrophobicContact CG2-CE1 4.17Å; T697-F719 HydrophobicContact CG2-CG 4.16Å | ||
| 698 | L | 89.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 133.1 | 176 | 172.1 | 150.8 | 0 | 0 | 0 | 109.4 | L553 L606 V679 L680 G682 L700 V713 A714 F773 | L553-L698 HydrophobicContact CD2-CB 4.19Å; L606-L698 HydrophobicContact CD2-CD1 4.43Å; L606-L698 HydrophobicContact CD2-CD2 4.44Å; V679-L698 HydrophobicContact CG2-CD1 3.67Å; V679-L698 HydrophobicContact CG2-CD2 4.01Å; V679-L698 HydrophobicContact CG2-CG 3.79Å; L680-L698 WeakPolarHBondContact O-CA 3.35Å; G682-L698 CarbonylContact O-C 3.54Å; L698-L700 HydrophobicContact CD2-CB 4.16Å; L698-V713 WeakPolarHBondContact O-CA 3.49Å; L698-A714 PolarHBondContact N-O 2.91Å; L698-A714 PolarHBondContact O-N 2.93Å; L698-F773 HydrophobicContact CD2-CE1 4.41Å |
| 699 | T | 91.2 | Very high | 80.4 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.9 | 171.6 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | V679 L680 G682 S683 P684 W712 L792 | V679-T699 WeakPolarHBondContact CA-O 3.18Å; L680-T699 PolarHBondContact N-O 2.94Å; L680-T699 PolarHBondContact O-N 2.8Å; G682-T699 PolarHBondContact O-N 2.85Å; G682-T699 PolarHBondContact O-OG1 2.91Å; S683-T699 WeakPolarHBondContact CA-OG1 3.26Å; P684-T699 VanDerWaalsContact CD-OG1 3.32Å; P684-T699 WeakPolarHBondContact CD-OG1 3.39Å; T699-W712 WeakPolarHBondContact CA-O 3.27Å; T699-L792 HydrophobicContact CG2-CD2 3.96Å |
| 700 | L | 94.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116.6 | 178.1 | 179 | 61.9 | 0 | 0 | 0 | 109.7 | V596 V604 L606 L621 L677 V679 L698 V702 W712 F773 | V596-L700 HydrophobicContact CG1-CD1 4.06Å; V604-L700 HydrophobicContact CB-CD2 4.42Å; V604-L700 HydrophobicContact CG1-CD2 4.02Å; L606-L700 HydrophobicContact CD1-CD2 4.45Å; L621-L700 HydrophobicContact CD2-CD2 3.7Å; L677-L700 HydrophobicContact CD2-CD1 4.2Å; V679-L700 HydrophobicContact CB-CD1 4.32Å; L698-L700 HydrophobicContact CD2-CB 4.16Å; L700-V702 HydrophobicContact CD1-CG2 4.33Å; L700-V702 HydrophobicContact CD2-CG2 4.07Å; L700-V702 HydrophobicContact CG-CG2 3.73Å; L700-W712 HydrophobicContact CB-CB 4.48Å; L700-W712 PolarHBondContact N-O 3.13Å; L700-W712 PolarHBondContact O-N 3.1Å; L700-F773 HydrophobicContact CD2-CD1 4.47Å; L700-F773 HydrophobicContact CD2-CE1 4.15Å |
| 701 | V | 97.3 | Very high | 85 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123.2 | 172.5 | -162.7 | 0 | 0 | 0 | 0 | 108.5 | L678 V709 L711 L790 L792 L799 | L678-V701 HydrophobicContact CB-CB 4.18Å; L678-V701 HydrophobicContact CB-CG2 4.4Å; L678-V701 HydrophobicContact CD2-CG2 4.4Å; L678-V701 HydrophobicContact CG-CG2 4.41Å; L678-V701 PolarHBondContact N-O 2.71Å; L678-V701 PolarHBondContact O-N 2.98Å; V701-V709 HydrophobicContact CG1-CG1 3.74Å; V701-L711 HydrophobicContact CG1-CD1 3.85Å; V701-L711 HydrophobicContact CG1-CG 4.11Å; V701-L711 HydrophobicContact CG2-CG 4.15Å; V701-L790 HydrophobicContact CB-CD1 4.28Å; V701-L790 HydrophobicContact CG1-CD1 3.91Å; V701-L790 HydrophobicContact CG1-CD2 4.25Å; V701-L792 HydrophobicContact CG2-CB 4.35Å; V701-L792 HydrophobicContact CG2-CD2 3.84Å; V701-L799 HydrophobicContact CG1-CD1 3.96Å |
| 702 | V | 98.3 | Very high | 87 | Confident | 3 Ų | 3 | 16.3 Ų | 16.3 | 2% | 0.018 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.9 | -175.2 | -169 | 0 | 0 | 0 | 0 | 109.7 | V604 L621 T623 I674 L677 L700 V709 S710 | V604-V702 HydrophobicContact CG2-CG1 3.75Å; V604-V702 HydrophobicContact CG2-CG2 3.94Å; L621-V702 HydrophobicContact CD2-CG2 4.27Å; T623-V702 HydrophobicContact CG2-CB 4.49Å; T623-V702 HydrophobicContact CG2-CG1 4.04Å; I674-V702 HydrophobicContact CD1-CG1 3.5Å; I674-V702 HydrophobicContact CG1-CG1 4.19Å; I674-V702 HydrophobicContact CG2-CG1 3.8Å; L677-V702 HydrophobicContact CD2-CB 4.38Å; L677-V702 HydrophobicContact CD2-CG1 4Å; L677-V702 HydrophobicContact CD2-CG2 4.09Å; L700-V702 HydrophobicContact CD1-CG2 4.33Å; L700-V702 HydrophobicContact CD2-CG2 4.07Å; L700-V702 HydrophobicContact CG-CG2 3.73Å; V702-V709 CarbonylContact O-C 3.57Å; V702-V709 VanDerWaalsContact O-CA 3.27Å; V702-V709 WeakPolarHBondContact O-CA 3.26Å; V702-S710 PolarHBondContact N-O 3.5Å; V702-S710 PolarHBondContact O-N 3.49Å |
| 703 | G | 98.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | T675 Q676 | T675-G703 PolarHBondContact N-O 2.85Å; T675-G703 PolarHBondContact OG1-O 2.9Å; Q676-G703 PolarHBondContact N-O 2.8Å; Q676-G703 VanDerWaalsContact N-O 3.11Å; Q676-G703 PolarHBondContact O-N 3.34Å |
| 704 | G | 97.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116 | A673 T675 G706 Q708 I787 | A673-G704 CarbonylContact O-C 3.53Å; A673-G704 WeakPolarHBondContact O-CA 3.29Å; T675-G704 PolarHBondContact OG1-O 2.87Å; G704-G706 PolarHBondContact O-N 2.77Å; G704-Q708 PolarHBondContact N-O 3.46Å; G704-I787 WeakPolarHBondContact O-CG1 3.08Å; G704-I787 PolarHBondContact O-N 2.96Å; G704-I787 VanDerWaalsContact O-N 3.13Å |
| 705 | A | 96.5 | Very high | 90.8 | Very high | 28 Ų | 28 | 9.5 Ų | 9.5 | 23% | 0.231 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | P670 R671 A673 T675 G707 Q786 | P670-A705 WeakPolarHBondContact O-CB 3.41Å; R671-A705 PolarHBondContact O-N 3.32Å; A673-A705 HydrophobicContact CB-CB 4.18Å; A673-A705 PolarHBondContact O-N 2.83Å; T675-A705 HydrophobicContact CG2-CB 3.96Å; A705-G707 VanDerWaalsContact C-N 3.27Å; A705-G707 PolarHBondContact O-N 2.85Å; A705-Q786 WeakPolarHBondContact O-CA 3.29Å; A705-Q786 PolarHBondContact O-N 3.13Å; A705-Q786 VanDerWaalsContact O-N 3.1Å |
| 706 | G | 95.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 7.2 Ų | 7.2 | 2% | 0.021 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 19 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R671 G704 Q708 Q780 P784 | R671-G706 PolarHBondContact O-N 2.71Å; G704-G706 PolarHBondContact O-N 2.77Å; G706-Q708 VanDerWaalsContact N-OE1 3.09Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 PolarHBondContact O-OE1 3.34Å; G706-Q780 PolarHBondContact O-NE2 2.94Å; G706-P784 CarbonylContact C-O 3.47Å; G706-P784 WeakPolarHBondContact CA-O 3.35Å; G706-P784 CarbonylContact O-C 3.59Å; G706-P784 WeakPolarHBondContact O-CA 3.11Å; G706-P784 VanDerWaalsContact O-CB 3.27Å; G706-P784 WeakPolarHBondContact O-CB 3.43Å |
| 707 | G | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 71.4 | 12.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | A705 Q780 L781 S785 | A705-G707 VanDerWaalsContact C-N 3.27Å; A705-G707 PolarHBondContact O-N 2.85Å; G707-Q780 PolarHBondContact O-NE2 2.98Å; G707-L781 WeakPolarHBondContact O-CB 3.49Å; G707-L781 WeakPolarHBondContact O-CG 3.42Å; G707-L781 PolarHBondContact O-N 2.81Å; G707-S785 WeakPolarHBondContact CA-O 3.44Å; G707-S785 PolarHBondContact N-O 2.95Å |
| 708 | Q | 97 | Very high | 88.9 | Confident | 5 Ų | 5 | 15.6 Ų | 15.6 | 2% | 0.023 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 141.2 | 170.7 | 75 | -76.3 | 8.5 | 0 | 0 | 111.6 | F627 R671 G704 G706 L756 I779 I787 | F627-Q708 HydrophobicContact CE1-CB 4.4Å; F627-Q708 HydrophobicContact CE2-CG 4.15Å; F627-Q708 HydrophobicContact CZ-CB 3.86Å; F627-Q708 HydrophobicContact CZ-CG 3.71Å; R671-Q708 PolarHBondContact O-NE2 2.89Å; R671-Q708 PolarHBondContact O-OE1 3.29Å; G704-Q708 PolarHBondContact N-O 3.46Å; G706-Q708 VanDerWaalsContact N-OE1 3.09Å; G706-Q708 PolarHBondContact O-N 2.91Å; G706-Q708 PolarHBondContact O-OE1 3.34Å; Q708-L756 HydrophobicContact CG-CD1 4.42Å; Q708-I779 CarbonylContact C-O 3.35Å; Q708-I779 WeakPolarHBondContact CA-O 3.4Å; Q708-I787 WeakPolarHBondContact O-CG1 3.21Å |
| 709 | V | 98.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 135.5 | 165.7 | 178 | 0 | 0 | 0 | 0 | 108.9 | V701 V702 L711 I779 I787 L790 I801 | V701-V709 HydrophobicContact CG1-CG1 3.74Å; V702-V709 CarbonylContact O-C 3.57Å; V702-V709 VanDerWaalsContact O-CA 3.27Å; V702-V709 WeakPolarHBondContact O-CA 3.26Å; V709-L711 HydrophobicContact CG1-CD1 4.32Å; V709-I779 HydrophobicContact CB-CB 4.32Å; V709-I779 HydrophobicContact CB-CD1 4.14Å; V709-I779 HydrophobicContact CG1-CD1 4.1Å; V709-I779 PolarHBondContact N-O 3.14Å; V709-I779 WeakPolarHBondContact O-CD1 3.46Å; V709-I779 PolarHBondContact O-N 2.92Å; V709-I787 HydrophobicContact CG2-CD1 3.66Å; V709-I787 HydrophobicContact CG2-CG1 3.65Å; V709-I787 HydrophobicContact CG2-CG2 4.17Å; V709-L790 HydrophobicContact CG1-CD2 4.01Å; V709-L790 HydrophobicContact CG2-CD2 3.99Å; V709-I801 HydrophobicContact CB-CD1 4Å; V709-I801 HydrophobicContact CG1-CD1 4.3Å; V709-I801 HydrophobicContact CG2-CD1 3.92Å; V709-I801 HydrophobicContact CG2-CG1 4.25Å; V709-I801 HydrophobicContact CG2-CG2 3.68Å |
| 710 | S | 96 | Very high | 86.1 | Confident | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.8 | 177.1 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | V702 W712 Q777 | V702-S710 PolarHBondContact N-O 3.5Å; V702-S710 PolarHBondContact O-N 3.49Å; S710-W712 VanDerWaalsContact CB-NE1 3.32Å; S710-W712 PolarHBondContact OG-NE1 3.44Å; S710-Q777 WeakPolarHBondContact CA-O 3.23Å |
| 711 | L | 94.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 23.9 Ų | 23.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 133.3 | 173.5 | -79.6 | 75.8 | 0 | 0 | 0 | 109.4 | V701 V709 P775 C776 Q777 I779 L792 L799 L812 | V701-L711 HydrophobicContact CG1-CD1 3.85Å; V701-L711 HydrophobicContact CG1-CG 4.11Å; V701-L711 HydrophobicContact CG2-CG 4.15Å; V709-L711 HydrophobicContact CG1-CD1 4.32Å; L711-P775 WeakPolarHBondContact O-CA 3.32Å; L711-C776 PolarHBondContact O-N 3.23Å; L711-Q777 HydrophobicContact CB-CB 4.23Å; L711-Q777 HydrophobicContact CD1-CB 4.4Å; L711-Q777 PolarHBondContact N-O 3.4Å; L711-I779 HydrophobicContact CD1-CD1 3.84Å; L711-L792 HydrophobicContact CD2-CD1 4.38Å; L711-L799 HydrophobicContact CD1-CD1 4.38Å; L711-L799 HydrophobicContact CD1-CD2 3.74Å; L711-L812 HydrophobicContact CD2-CD1 3.61Å; L711-L812 HydrophobicContact CD2-CD2 4.32Å |
| 712 | W | 91.5 | Very high | 82.8 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.7 | -177.9 | -55.2 | 79.2 | 0 | 0 | 0 | 110 | L621 L626 T699 L700 S710 Y765 F773 H774 P775 | L621-W712 HydrophobicContact CD1-CD2 3.76Å; L621-W712 HydrophobicContact CD1-CE3 3.64Å; L621-W712 HydrophobicContact CD1-CH2 3.67Å; L621-W712 HydrophobicContact CD1-CZ2 3.77Å; L621-W712 HydrophobicContact CD1-CZ3 3.59Å; L621-W712 HydrophobicContact CD2-CB 4.25Å; L621-W712 HydrophobicContact CD2-CD2 3.74Å; L621-W712 HydrophobicContact CD2-CE3 4.38Å; L621-W712 HydrophobicContact CD2-CG 3.66Å; L621-W712 HydrophobicContact CG-CD2 4.38Å; L626-W712 HydrophobicContact CD1-CH2 4.08Å; L626-W712 HydrophobicContact CD1-CZ2 3.42Å; L626-W712 VanDerWaalsContact CD1-CZ2 3.42Å; L626-W712 HydrophobicContact CD2-CH2 3.76Å; L626-W712 HydrophobicContact CD2-CZ2 3.99Å; L626-W712 HydrophobicContact CG-CH2 3.73Å; L626-W712 HydrophobicContact CG-CZ2 3.56Å; T699-W712 WeakPolarHBondContact CA-O 3.27Å; L700-W712 HydrophobicContact CB-CB 4.48Å; L700-W712 PolarHBondContact N-O 3.13Å; L700-W712 PolarHBondContact O-N 3.1Å; S710-W712 VanDerWaalsContact CB-NE1 3.32Å; S710-W712 PolarHBondContact OG-NE1 3.44Å; W712-Y765 HydrophobicContact CH2-CE1 4.41Å; W712-Y765 HydrophobicContact CZ3-CD1 4.46Å; W712-Y765 HydrophobicContact CZ3-CE1 4.38Å; W712-F773 HydrophobicContact CB-CB 4.31Å; W712-F773 HydrophobicContact CB-CD1 4.36Å; W712-F773 HydrophobicContact CD2-CB 4.47Å; W712-F773 HydrophobicContact CE3-CB 3.83Å; W712-F773 VanDerWaalsContact CE3-O 3.27Å; W712-F773 WeakPolarHBondContact CZ3-O 3.44Å; W712-H774 CarbonylContact C-O 3.52Å; W712-H774 WeakPolarHBondContact CA-O 3.45Å; W712-P775 HydrophobicContact CD2-CB 3.95Å; W712-P775 HydrophobicContact CE3-CB 3.63Å; W712-P775 HydrophobicContact CE3-CG 3.97Å; W712-P775 HydrophobicContact CH2-CB 4.05Å; W712-P775 HydrophobicContact CH2-CG 4.13Å; W712-P775 HydrophobicContact CZ2-CB 4.33Å; W712-P775 HydrophobicContact CZ3-CB 3.7Å; W712-P775 HydrophobicContact CZ3-CG 3.64Å |
| 713 | V | 88.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.8 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 110.1 | I685 L698 F719 H774 | I685-V713 HydrophobicContact CD1-CG2 4.48Å; L698-V713 WeakPolarHBondContact O-CA 3.49Å; V713-F719 HydrophobicContact CG1-CE1 3.99Å; V713-H774 PolarHBondContact N-O 3.47Å; V713-H774 PolarHBondContact O-N 2.77Å |
| 714 | A | 84.4 | Confident | 79.6 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 153.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L557 T697 L698 L771 F773 | L557-A714 HydrophobicContact CD2-CB 3.91Å; T697-A714 CarbonylContact C-O 3.56Å; T697-A714 VanDerWaalsContact CA-O 3.32Å; T697-A714 WeakPolarHBondContact CA-O 3.47Å; T697-A714 WeakPolarHBondContact CB-O 3.46Å; L698-A714 PolarHBondContact N-O 2.91Å; L698-A714 PolarHBondContact O-N 2.93Å; A714-L771 HydrophobicContact CB-CD2 3.96Å; A714-F773 HydrophobicContact CB-CD1 3.97Å; A714-F773 HydrophobicContact CB-CE1 3.92Å |
| 715 | G | 76.6 | Confident | 78.3 | Confident | 14 Ų | 14 | 35.1 Ų | 35.1 | 14% | 0.144 | 21% | 0.21 | C | C | . | . | trans | 176.5 | -154.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 716 | S | 65 | Low | 77 | Confident | 39 Ų | 39 | 37.4 Ų | 37.4 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | trans | -83.2 | 144.4 | 172 | 53.8 | 0 | 0 | 0 | 0 | 112 | G718 F719 L720 | S716-G718 VanDerWaalsContact C-N 3.28Å; S716-G718 PolarHBondContact O-N 2.86Å; S716-G718 VanDerWaalsContact O-N 3.16Å; S716-F719 WeakPolarHBondContact O-CB 3.48Å; S716-F719 PolarHBondContact O-N 2.95Å; S716-L720 PolarHBondContact O-N 3.41Å | ||
| 717 | E | 61 | Low | 76.2 | Confident | 154 Ų | 154 | 40.1 Ų | 40.1 | 72% | 0.72 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -49.9 | -44.5 | -175.8 | -58.8 | 175.9 | 134.9 | 0 | 0 | 113.3 | F719 L720 H721 | E717-F719 PolarHBondContact O-N 3.11Å; E717-F719 VanDerWaalsContact O-N 3.09Å; E717-L720 PolarHBondContact O-N 2.84Å; E717-H721 PolarHBondContact O-CD2 2.62Å; E717-H721 PolarHBondContact O-N 2.74Å |
| 718 | G | 59 | Low | 75.7 | Confident | 73 Ų | 73 | 40.2 Ų | 40.2 | 75% | 0.753 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.5 | -15.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S716 | S716-G718 VanDerWaalsContact C-N 3.28Å; S716-G718 PolarHBondContact O-N 2.86Å; S716-G718 VanDerWaalsContact O-N 3.16Å |
| 719 | F | 59.6 | Low | 75.3 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 5% | 0.053 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -92.8 | -38.2 | 169.3 | 179.5 | -92.1 | 0 | 0 | 0 | 111.8 | S683 I685 A694 T697 V713 S716 E717 H721 A722 L725 | S683-F719 WeakPolarHBondContact OG-CZ 3.29Å; I685-F719 HydrophobicContact CB-CZ 4.02Å; I685-F719 HydrophobicContact CG2-CZ 4.27Å; I685-F719 WeakPolarHBondContact O-CE2 3.43Å; I685-F719 WeakPolarHBondContact O-CZ 3.49Å; A694-F719 HydrophobicContact CB-CD2 4.2Å; A694-F719 HydrophobicContact CB-CE2 4.34Å; T697-F719 HydrophobicContact CG2-CD1 3.9Å; T697-F719 HydrophobicContact CG2-CE1 4.17Å; T697-F719 HydrophobicContact CG2-CG 4.16Å; V713-F719 HydrophobicContact CG1-CE1 3.99Å; S716-F719 WeakPolarHBondContact O-CB 3.48Å; S716-F719 PolarHBondContact O-N 2.95Å; E717-F719 PolarHBondContact O-N 3.11Å; E717-F719 VanDerWaalsContact O-N 3.09Å; F719-H721 VanDerWaalsContact C-N 3.27Å; F719-H721 PolarHBondContact O-N 3.47Å; F719-A722 WeakPolarHBondContact O-CB 3.14Å; F719-A722 PolarHBondContact O-N 3.33Å; F719-L725 HydrophobicContact CD1-CD1 4.45Å; F719-L725 HydrophobicContact CE1-CD1 4.16Å |
| 720 | L | 62.9 | Low | 75 | Confident | 15 Ų | 15 | 43.1 Ų | 43.1 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.2 | -22.3 | -178.3 | -59.7 | 179.8 | 0 | 0 | 0 | 113.3 | S716 E717 A722 L725 | S716-L720 PolarHBondContact O-N 3.41Å; E717-L720 PolarHBondContact O-N 2.84Å; L720-A722 PolarHBondContact O-N 2.78Å; L720-A722 VanDerWaalsContact O-N 3.11Å; L720-L725 HydrophobicContact CD2-CD1 4.19Å |
| 721 | H | 60.4 | Low | 74.7 | Confident | 149 Ų | 149 | 45.7 Ų | 45.7 | 69% | 0.69 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | 11.6 | 169.9 | -65.8 | -47.4 | 0 | 0 | 0 | 115 | E717 F719 | E717-H721 PolarHBondContact O-CD2 2.62Å; E717-H721 PolarHBondContact O-N 2.74Å; F719-H721 VanDerWaalsContact C-N 3.27Å; F719-H721 PolarHBondContact O-N 3.47Å |
| 722 | A | 62.5 | Low | 74.3 | Confident | 23 Ų | 23 | 50 Ų | 50 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | trans | -58.6 | 136.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | F719 L720 E724 L725 S726 | F719-A722 WeakPolarHBondContact O-CB 3.14Å; F719-A722 PolarHBondContact O-N 3.33Å; L720-A722 PolarHBondContact O-N 2.78Å; L720-A722 VanDerWaalsContact O-N 3.11Å; A722-E724 PolarHBondContact O-N 2.99Å; A722-L725 HydrophobicContact CB-CB 4.5Å; A722-L725 HydrophobicContact CB-CD1 4.33Å; A722-L725 HydrophobicContact CB-CG 4.4Å; A722-L725 PolarHBondContact O-N 2.93Å; A722-L725 VanDerWaalsContact O-N 3.08Å; A722-S726 PolarHBondContact O-N 2.95Å; A722-S726 PolarHBondContact O-OG 3.47Å; A722-S726 VanDerWaalsContact O-OG 3.06Å | ||
| 723 | P | 62.4 | Low | 74 | Confident | 100 Ų | 100 | 52.9 Ų | 52.9 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -54.5 | -39.9 | 177.4 | -28.1 | 35.9 | 0 | 0 | 0 | 112.7 | L725 S726 S727 | P723-L725 PolarHBondContact O-N 3.32Å; P723-S726 WeakPolarHBondContact CA-OG 3.22Å; P723-S726 PolarHBondContact O-N 2.6Å; P723-S726 VanDerWaalsContact O-N 3.13Å; P723-S726 PolarHBondContact O-OG 3.18Å; P723-S727 PolarHBondContact O-N 3.17Å; P723-S727 VanDerWaalsContact O-N 3.14Å; P723-S727 PolarHBondContact O-OG 2.83Å |
| 724 | E | 65.9 | Low | 74.2 | Confident | 115 Ų | 115 | 57.3 Ų | 57.3 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.9 | -23.8 | -179.8 | -59.5 | 178.4 | -166.2 | 0 | 0 | 114.4 | A722 | A722-E724 PolarHBondContact O-N 2.99Å |
| 725 | L | 70.2 | Confident | 74.7 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -96.9 | -12.3 | 179.1 | -71.8 | 177.8 | 0 | 0 | 0 | 113.4 | I685 F719 L720 A722 P723 H774 C776 | I685-L725 HydrophobicContact CD1-CD1 4.13Å; I685-L725 HydrophobicContact CD1-CD2 3.34Å; I685-L725 HydrophobicContact CD1-CG 3.76Å; F719-L725 HydrophobicContact CD1-CD1 4.45Å; F719-L725 HydrophobicContact CE1-CD1 4.16Å; L720-L725 HydrophobicContact CD2-CD1 4.19Å; A722-L725 HydrophobicContact CB-CB 4.5Å; A722-L725 HydrophobicContact CB-CD1 4.33Å; A722-L725 HydrophobicContact CB-CG 4.4Å; A722-L725 PolarHBondContact O-N 2.93Å; A722-L725 VanDerWaalsContact O-N 3.08Å; P723-L725 PolarHBondContact O-N 3.32Å; L725-H774 HydrophobicContact CB-CB 4.07Å; L725-H774 HydrophobicContact CD1-CB 4.45Å; L725-H774 HydrophobicContact CD2-CB 3.79Å; L725-H774 HydrophobicContact CG-CB 4.32Å; L725-H774 PolarHBondContact O-ND1 3.02Å; L725-C776 HydrophobicContact CD2-CB 3.94Å |
| 726 | S | 70.1 | Confident | 75.5 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -105.6 | -12.3 | -178.5 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | A722 P723 | A722-S726 PolarHBondContact O-N 2.95Å; A722-S726 PolarHBondContact O-OG 3.47Å; A722-S726 VanDerWaalsContact O-OG 3.06Å; P723-S726 WeakPolarHBondContact CA-OG 3.22Å; P723-S726 PolarHBondContact O-N 2.6Å; P723-S726 VanDerWaalsContact O-N 3.13Å; P723-S726 PolarHBondContact O-OG 3.18Å |
| 727 | S | 77.7 | Confident | 77 | Confident | 60 Ų | 60 | 59.1 Ų | 59.1 | 42% | 0.42 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -118.6 | 32.9 | 175.7 | 74.8 | 0 | 0 | 0 | 0 | 113.6 | P723 E729 | P723-S727 PolarHBondContact O-N 3.17Å; P723-S727 VanDerWaalsContact O-N 3.14Å; P723-S727 PolarHBondContact O-OG 2.83Å; S727-E729 PolarHBondContact O-N 2.99Å |
| 728 | F | 85.4 | Confident | 78.5 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 31% | 0.309 | C | S | . | . | trans | -79.1 | 116.8 | 179.1 | -175.4 | -89 | 0 | 0 | 0 | 111.4 | L626 P730 F733 P763 Y765 P775 C776 L778 | L626-F728 HydrophobicContact CD2-CE1 4.3Å; F728-P730 HydrophobicContact CD1-CG 4.26Å; F728-P730 HydrophobicContact CE1-CB 4.2Å; F728-P730 HydrophobicContact CE1-CG 4Å; F728-F733 HydrophobicContact CD2-CB 3.97Å; F728-F733 AromaticContact CD2-CD2 3.97Å; F728-F733 HydrophobicContact CD2-CD2 3.97Å; F728-F733 AromaticContact CD2-CG 4Å; F728-F733 HydrophobicContact CD2-CG 4Å; F728-F733 HydrophobicContact CE2-CB 3.37Å; F728-F733 HydrophobicContact CE2-CD2 4.26Å; F728-F733 AromaticContact CE2-CG 3.91Å; F728-F733 HydrophobicContact CE2-CG 3.91Å; F728-F733 HydrophobicContact CG-CD2 4.46Å; F728-F733 HydrophobicContact CZ-CB 3.85Å; F728-P763 WeakPolarHBondContact O-CD 3.47Å; F728-Y765 WeakPolarHBondContact CD1-OH 3.31Å; F728-P775 HydrophobicContact CD1-CB 3.97Å; F728-P775 HydrophobicContact CD1-CG 3.7Å; F728-P775 HydrophobicContact CE1-CB 3.96Å; F728-P775 HydrophobicContact CE1-CG 4.14Å; F728-P775 HydrophobicContact CG-CB 4.49Å; F728-P775 HydrophobicContact CG-CG 4.28Å; F728-P775 WeakPolarHBondContact CG-O 3.39Å; F728-C776 WeakPolarHBondContact CE2-O 3.5Å; F728-L778 HydrophobicContact CZ-CB 4.2Å | ||
| 729 | E | 89.6 | Confident | 80 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | trans | -107.1 | 110.2 | 176.1 | -51.6 | -163.5 | 124.5 | 0 | 0 | 109.3 | S727 D731 V732 F733 G761 V762 | S727-E729 PolarHBondContact O-N 2.99Å; E729-D731 VanDerWaalsContact C-N 3.26Å; E729-D731 PolarHBondContact O-N 3.42Å; E729-V732 HydrophobicContact CB-CB 4.03Å; E729-V732 HydrophobicContact CB-CG2 3.94Å; E729-V732 PolarHBondContact O-N 3.01Å; E729-F733 HydrophobicContact CB-CD2 4.4Å; E729-F733 WeakPolarHBondContact O-CD2 3.36Å; E729-F733 PolarHBondContact O-N 3.3Å; E729-G761 WeakPolarHBondContact OE1-CA 3.03Å; E729-V762 HydrophobicContact CG-CB 4.44Å; E729-V762 HydrophobicContact CG-CG2 3.57Å; E729-V762 PolarHBondContact OE1-N 3.36Å | ||
| 730 | P | 90.2 | Very high | 81.1 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -29.5 | -171.7 | -27 | 33.4 | 0 | 0 | 0 | 115 | L626 F728 R734 P758 G761 P763 L778 | L626-P730 HydrophobicContact CD2-CB 4.37Å; L626-P730 HydrophobicContact CD2-CG 3.86Å; F728-P730 HydrophobicContact CD1-CG 4.26Å; F728-P730 HydrophobicContact CE1-CB 4.2Å; F728-P730 HydrophobicContact CE1-CG 4Å; P730-R734 WeakPolarHBondContact O-CB 3.41Å; P730-P758 HydrophobicContact CB-CB 4.01Å; P730-G761 WeakPolarHBondContact CD-O 3.26Å; P730-P763 VanDerWaalsContact CD-CD 3.46Å; P730-P763 HydrophobicContact CG-CG 3.51Å; P730-L778 HydrophobicContact CB-CD2 4.18Å; P730-L778 WeakPolarHBondContact O-CD2 3.27Å |
| 731 | D | 89.6 | Confident | 81.6 | Confident | 56 Ų | 56 | 53.9 Ų | 53.9 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -44.1 | 175.8 | 62.7 | -38.6 | 0 | 0 | 0 | 112.5 | E729 P758 T759 G761 | E729-D731 VanDerWaalsContact C-N 3.26Å; E729-D731 PolarHBondContact O-N 3.42Å; D731-P758 HydrophobicContact CB-CB 4.22Å; D731-T759 PolarHBondContact N-O 2.88Å; D731-G761 PolarHBondContact OD1-N 2.78Å |
| 732 | V | 88.4 | Confident | 82 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 56% | 0.564 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -43.4 | -179.3 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | E729 R734 | E729-V732 HydrophobicContact CB-CB 4.03Å; E729-V732 HydrophobicContact CB-CG2 3.94Å; E729-V732 PolarHBondContact O-N 3.01Å; V732-R734 VanDerWaalsContact C-N 3.28Å; V732-R734 PolarHBondContact O-N 2.86Å |
| 733 | F | 85 | Confident | 82.3 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 12.5 | -178.4 | -69.6 | -81.9 | 0 | 0 | 0 | 113.7 | F728 E729 Q777 | F728-F733 HydrophobicContact CD2-CB 3.97Å; F728-F733 AromaticContact CD2-CD2 3.97Å; F728-F733 HydrophobicContact CD2-CD2 3.97Å; F728-F733 AromaticContact CD2-CG 4Å; F728-F733 HydrophobicContact CD2-CG 4Å; F728-F733 HydrophobicContact CE2-CB 3.37Å; F728-F733 HydrophobicContact CE2-CD2 4.26Å; F728-F733 AromaticContact CE2-CG 3.91Å; F728-F733 HydrophobicContact CE2-CG 3.91Å; F728-F733 HydrophobicContact CG-CD2 4.46Å; F728-F733 HydrophobicContact CZ-CB 3.85Å; E729-F733 HydrophobicContact CB-CD2 4.4Å; E729-F733 WeakPolarHBondContact O-CD2 3.36Å; E729-F733 PolarHBondContact O-N 3.3Å; F733-Q777 PolarHBondContact O-NE2 2.98Å |
| 734 | R | 92.2 | Very high | 82.6 | Confident | 93 Ų | 93 | 53.9 Ų | 53.9 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 120.1 | 177.5 | -173.9 | -176.4 | 67.7 | -167.1 | -1.7 | 112.5 | P730 V732 C736 P758 L778 Q780 | P730-R734 WeakPolarHBondContact O-CB 3.41Å; V732-R734 VanDerWaalsContact C-N 3.28Å; V732-R734 PolarHBondContact O-N 2.86Å; R734-C736 PolarHBondContact NE-SG 2.81Å; R734-P758 VanDerWaalsContact NH1-CD 3.34Å; R734-L778 WeakPolarHBondContact CA-O 3.36Å; R734-L778 HydrophobicContact CB-CD2 4.34Å; R734-L778 HydrophobicContact CG-CD2 4.22Å; R734-L778 HydrophobicContact CG-CG 4.22Å; R734-Q780 HydrophobicContact CG-CB 4.28Å |
| 735 | I | 94.5 | Very high | 82.6 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 9% | 0.087 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 118.7 | 163.8 | -58.8 | 166.3 | 0 | 0 | 0 | 108.9 | V737 L778 I779 Q780 L810 R815 I817 | I735-V737 HydrophobicContact CG2-CG2 3.95Å; I735-L778 PolarHBondContact N-O 2.76Å; I735-I779 HydrophobicContact CB-CG2 4.39Å; I735-I779 WeakPolarHBondContact O-CA 3.41Å; I735-I779 WeakPolarHBondContact O-CG2 3.41Å; I735-Q780 PolarHBondContact O-N 2.86Å; I735-L810 HydrophobicContact CB-CD2 4.29Å; I735-L810 HydrophobicContact CD1-CD2 3.9Å; I735-L810 HydrophobicContact CG2-CD2 3.85Å; I735-R815 HydrophobicContact CD1-CB 4.23Å; I735-R815 WeakPolarHBondContact CD1-O 3.2Å; I735-I817 HydrophobicContact CG2-CD1 4.08Å; I735-I817 HydrophobicContact CG2-CG1 3.84Å |
| 736 | C | 94.8 | Very high | 82.2 | Confident | 72 Ų | 72 | 60.1 Ų | 60.1 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.7 | 168.7 | -75.2 | 0 | 0 | 0 | 0 | 110 | R734 Q780 I817 | R734-C736 PolarHBondContact NE-SG 2.81Å; C736-Q780 WeakPolarHBondContact CA-O 3.47Å; C736-I817 WeakPolarHBondContact O-CD1 3.5Å |
| 737 | V | 94.9 | Very high | 82.1 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.1 | 178.6 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | I735 L739 I779 Q780 L781 N782 A808 L810 I817 A820 | I735-V737 HydrophobicContact CG2-CG2 3.95Å; V737-L739 HydrophobicContact CG1-CD2 4.32Å; V737-I779 HydrophobicContact CG2-CG2 3.68Å; V737-Q780 PolarHBondContact N-O 2.82Å; V737-L781 HydrophobicContact CB-CD2 4.01Å; V737-L781 HydrophobicContact CG1-CD2 4.44Å; V737-L781 HydrophobicContact CG2-CD2 4.49Å; V737-L781 CarbonylContact O-C 3.57Å; V737-L781 WeakPolarHBondContact O-CA 3.21Å; V737-N782 PolarHBondContact O-N 2.88Å; V737-A808 HydrophobicContact CG1-CB 3.74Å; V737-L810 HydrophobicContact CG2-CD2 4.02Å; V737-I817 HydrophobicContact CB-CD1 4.17Å; V737-I817 HydrophobicContact CG1-CD1 4.14Å; V737-I817 HydrophobicContact CG1-CG2 4.44Å; V737-I817 HydrophobicContact CG2-CD1 3.87Å; V737-I817 HydrophobicContact CG2-CG1 4.05Å; V737-A820 HydrophobicContact CG1-CB 4.08Å |
| 738 | N | 92.2 | Very high | 82.1 | Confident | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.203 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.6 | 163.7 | -161.1 | 4.9 | 0 | 0 | 0 | 109.7 | I740 E745 N782 A820 | N738-I740 PolarHBondContact ND2-O 2.96Å; N738-I740 PolarHBondContact OD1-N 2.88Å; N738-I740 VanDerWaalsContact OD1-N 3.13Å; N738-E745 WeakPolarHBondContact ND2-CG 3.2Å; N738-E745 PolarHBondContact ND2-OE1 2.82Å; N738-N782 PolarHBondContact OD1-ND2 3.04Å; N738-N782 VanDerWaalsContact OD1-ND2 3.15Å; N738-N782 PolarHBondContact OD1-O 2.72Å; N738-N782 VanDerWaalsContact OD1-O 3.05Å; N738-A820 VanDerWaalsContact O-CB 3.32Å; N738-A820 WeakPolarHBondContact O-CB 3.47Å |
| 739 | L | 90.5 | Very high | 81.7 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.318 | C | S | . | . | trans | -92.2 | -14.2 | 173.3 | -68.2 | -179.4 | 0 | 0 | 0 | 112.8 | V737 L781 N782 S803 H805 F807 A808 A820 F822 | V737-L739 HydrophobicContact CG1-CD2 4.32Å; L739-L781 HydrophobicContact CD1-CD1 4.05Å; L739-L781 HydrophobicContact CD1-CD2 4.41Å; L739-L781 HydrophobicContact CG-CD2 4.42Å; L739-N782 PolarHBondContact N-O 2.91Å; L739-S803 WeakPolarHBondContact CD1-OG 3.49Å; L739-H805 HydrophobicContact CD1-CB 4.44Å; L739-F807 WeakPolarHBondContact CD2-O 3.13Å; L739-A808 HydrophobicContact CD2-CB 4.14Å; L739-A820 HydrophobicContact CD2-CB 4.34Å; L739-F822 VanDerWaalsContact O-CB 3.3Å; L739-F822 WeakPolarHBondContact O-CB 3.36Å; L739-F822 PolarHBondContact O-N 2.87Å | ||
| 740 | I | 84.1 | Confident | 81.3 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.046 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -92.8 | 131.5 | 178.4 | -58.8 | 155.5 | 0 | 0 | 0 | 108.4 | N738 D744 E745 Y748 P783 F822 | N738-I740 PolarHBondContact ND2-O 2.96Å; N738-I740 PolarHBondContact OD1-N 2.88Å; N738-I740 VanDerWaalsContact OD1-N 3.13Å; I740-D744 HydrophobicContact CG2-CB 4.12Å; I740-E745 HydrophobicContact CG2-CG 4.48Å; I740-Y748 HydrophobicContact CD1-CD1 3.29Å; I740-Y748 HydrophobicContact CD1-CD2 4.12Å; I740-Y748 HydrophobicContact CD1-CE1 3.75Å; I740-Y748 HydrophobicContact CD1-CE2 4.49Å; I740-Y748 HydrophobicContact CD1-CG 3.5Å; I740-Y748 VanDerWaalsContact CD1-CG 3.5Å; I740-Y748 HydrophobicContact CG1-CD1 4.49Å; I740-Y748 HydrophobicContact CG1-CG 4.31Å; I740-P783 HydrophobicContact CD1-CG 4.42Å; I740-F822 HydrophobicContact CG1-CE2 4.48Å |
| 741 | D | 73.4 | Confident | 80.8 | Confident | 95 Ų | 95 | 67.1 Ų | 67.1 | 51% | 0.508 | 34% | 0.342 | S | S | . | . | trans | -61.1 | 142.9 | 174.9 | -74.3 | -54.5 | 0 | 0 | 0 | 111.8 | S743 D744 E745 | D741-S743 PolarHBondContact O-N 2.95Å; D741-D744 PolarHBondContact O-N 2.73Å; D741-E745 PolarHBondContact O-N 3.35Å | ||
| 742 | H | 68.5 | Low | 80.5 | Confident | 154 Ų | 154 | 69.9 Ų | 69.9 | 71% | 0.713 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -17 | 179.7 | -58.4 | -52.1 | 0 | 0 | 0 | 114.2 | D744 E745 | H742-D744 VanDerWaalsContact C-N 3.29Å; H742-E745 IonicContact CE1-OE1 3.85Å; H742-E745 PolarHBondContact CE1-OE1 2.92Å; H742-E745 IonicContact CG-OE1 3.52Å; H742-E745 IonicContact ND1-OE1 2.73Å; H742-E745 PolarHBondContact ND1-OE1 3.07Å; H742-E745 IonicContact ND1-OE2 2.79Å |
| 743 | S | 68.5 | Low | 80.3 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -16.3 | 172.8 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | D741 K747 | D741-S743 PolarHBondContact O-N 2.95Å; S743-K747 WeakPolarHBondContact O-CE 3.43Å; S743-K747 PolarHBondContact O-NZ 3.44Å |
| 744 | D | 68.7 | Low | 80.4 | Confident | 39 Ų | 39 | 71.3 Ų | 71.3 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -6.9 | -168.2 | -67.6 | -82.1 | 0 | 0 | 0 | 113.3 | I740 D741 H742 N746 K747 Y748 I960 | I740-D744 HydrophobicContact CG2-CB 4.12Å; D741-D744 PolarHBondContact O-N 2.73Å; H742-D744 VanDerWaalsContact C-N 3.29Å; D744-N746 VanDerWaalsContact C-N 3.26Å; D744-N746 PolarHBondContact O-N 2.85Å; D744-K747 WeakPolarHBondContact O-CA 3.44Å; D744-K747 PolarHBondContact O-N 3.28Å; D744-K747 WeakPolarHBondContact OD1-CD 3.33Å; D744-K747 WeakPolarHBondContact OD1-CE 3.3Å; D744-K747 IonicContact OD1-NZ 3.76Å; D744-K747 PolarHBondContact OD1-NZ 3.27Å; D744-K747 IonicContact OD2-NZ 2.66Å; D744-Y748 PolarHBondContact O-N 2.76Å; D744-I960 HydrophobicContact CB-CD1 4.16Å |
| 745 | E | 65.4 | Low | 80.4 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -45.8 | 170 | -78.2 | -179.8 | 179.5 | 0 | 0 | 113.1 | N738 I740 D741 H742 K747 | N738-E745 WeakPolarHBondContact ND2-CG 3.2Å; N738-E745 PolarHBondContact ND2-OE1 2.82Å; I740-E745 HydrophobicContact CG2-CG 4.48Å; D741-E745 PolarHBondContact O-N 3.35Å; H742-E745 IonicContact CE1-OE1 3.85Å; H742-E745 PolarHBondContact CE1-OE1 2.92Å; H742-E745 IonicContact CG-OE1 3.52Å; H742-E745 IonicContact ND1-OE1 2.73Å; H742-E745 PolarHBondContact ND1-OE1 3.07Å; H742-E745 IonicContact ND1-OE2 2.79Å; E745-K747 PolarHBondContact O-N 2.71Å |
| 746 | N | 62.4 | Low | 80.3 | Confident | 167 Ų | 167 | 68.6 Ų | 68.6 | 89% | 0.893 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7 | 179.9 | -72.9 | -36.6 | 0 | 0 | 0 | 114.2 | D744 | D744-N746 VanDerWaalsContact C-N 3.26Å; D744-N746 PolarHBondContact O-N 2.85Å |
| 747 | K | 68.4 | Low | 80.2 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -39.4 | -178.8 | -51.7 | 173.3 | -155.7 | 151.4 | 0 | 111.1 | S743 D744 E745 P957 P959 I960 | S743-K747 WeakPolarHBondContact O-CE 3.43Å; S743-K747 PolarHBondContact O-NZ 3.44Å; D744-K747 WeakPolarHBondContact O-CA 3.44Å; D744-K747 PolarHBondContact O-N 3.28Å; D744-K747 WeakPolarHBondContact OD1-CD 3.33Å; D744-K747 WeakPolarHBondContact OD1-CE 3.3Å; D744-K747 IonicContact OD1-NZ 3.76Å; D744-K747 PolarHBondContact OD1-NZ 3.27Å; D744-K747 IonicContact OD2-NZ 2.66Å; E745-K747 PolarHBondContact O-N 2.71Å; K747-P957 HydrophobicContact CD-CB 4.04Å; K747-P957 HydrophobicContact CD-CG 4.42Å; K747-P957 HydrophobicContact CG-CB 4.2Å; K747-P957 HydrophobicContact CG-CG 4.22Å; K747-P959 CarbonylContact O-C 3.53Å; K747-P959 WeakPolarHBondContact O-CA 3.27Å; K747-P959 VanDerWaalsContact O-CB 3.26Å; K747-P959 WeakPolarHBondContact O-CB 3.37Å; K747-I960 HydrophobicContact CB-CD1 4Å; K747-I960 HydrophobicContact CB-CG1 3.93Å; K747-I960 HydrophobicContact CD-CD1 4.28Å; K747-I960 PolarHBondContact O-N 2.83Å |
| 748 | Y | 76.8 | Confident | 80 | Confident | 29 Ų | 29 | 73.2 Ų | 73.2 | 11% | 0.114 | 38% | 0.377 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 135.7 | 179.6 | -180 | -83 | 0 | 0 | 0 | 111.1 | I740 D744 W750 P783 H805 F822 I960 L962 | I740-Y748 HydrophobicContact CD1-CD1 3.29Å; I740-Y748 HydrophobicContact CD1-CD2 4.12Å; I740-Y748 HydrophobicContact CD1-CE1 3.75Å; I740-Y748 HydrophobicContact CD1-CE2 4.49Å; I740-Y748 HydrophobicContact CD1-CG 3.5Å; I740-Y748 VanDerWaalsContact CD1-CG 3.5Å; I740-Y748 HydrophobicContact CG1-CD1 4.49Å; I740-Y748 HydrophobicContact CG1-CG 4.31Å; D744-Y748 PolarHBondContact O-N 2.76Å; Y748-W750 HydrophobicContact CE1-CB 4.06Å; Y748-W750 HydrophobicContact CE1-CE3 4.49Å; Y748-P783 HydrophobicContact CE1-CB 4.07Å; Y748-P783 HydrophobicContact CE1-CG 4.22Å; Y748-H805 AromaticContact CE2-CD2 3.87Å; Y748-H805 AromaticContact CE2-NE2 3.92Å; Y748-H805 AromaticContact CZ-CD2 3.93Å; Y748-H805 AromaticContact CZ-NE2 3.73Å; Y748-H805 PolarHBondContact OH-CD2 3.39Å; Y748-H805 PolarHBondContact OH-NE2 3.26Å; Y748-F822 HydrophobicContact CD2-CZ 4.43Å; Y748-I960 HydrophobicContact CD2-CG2 4.48Å; Y748-L962 HydrophobicContact CE2-CD1 3.97Å; Y748-L962 HydrophobicContact CE2-CG 4.19Å |
| 749 | V | 77.9 | Confident | 80 | Confident | 72 Ų | 72 | 73.1 Ų | 73.1 | 44% | 0.436 | 38% | 0.378 | S | S | . | . | trans | -126.3 | 109 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | K751 P959 | V749-K751 HydrophobicContact CG1-CG 4.38Å; V749-P959 HydrophobicContact CG2-CB 4.09Å | ||
| 750 | W | 81.7 | Confident | 79.8 | Confident | 61 Ų | 61 | 81.2 Ų | 81.2 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | trans | -66.4 | 136.3 | 166.7 | -174.5 | -113.9 | 0 | 0 | 0 | 109.9 | Y748 D752 A753 P783 P784 H805 | Y748-W750 HydrophobicContact CE1-CB 4.06Å; Y748-W750 HydrophobicContact CE1-CE3 4.49Å; W750-D752 HydrophobicContact CH2-CB 4.28Å; W750-D752 HydrophobicContact CZ2-CB 3.73Å; W750-D752 PolarHBondContact NE1-O 3.11Å; W750-D752 VanDerWaalsContact NE1-O 3.13Å; W750-A753 PolarHBondContact NE1-O 3.15Å; W750-P783 HydrophobicContact CD2-CB 3.94Å; W750-P783 HydrophobicContact CE3-CB 3.56Å; W750-P783 HydrophobicContact CE3-CG 4.4Å; W750-P783 HydrophobicContact CG-CB 4.46Å; W750-P783 HydrophobicContact CZ3-CB 3.98Å; W750-P784 HydrophobicContact CD2-CG 4.38Å; W750-P784 HydrophobicContact CZ2-CG 3.8Å; W750-H805 AromaticContact CZ3-CE1 3.83Å | ||
| 751 | K | 80.2 | Confident | 79.9 | Confident | 135 Ų | 135 | 81.7 Ų | 81.7 | 59% | 0.587 | 42% | 0.423 | S | S | * | . | trans | -119.4 | -12.9 | -175.1 | -67.9 | -179.2 | -178.2 | 175.6 | 0 | 114.3 | V749 H961 | V749-K751 HydrophobicContact CG1-CG 4.38Å; K751-H961 VanDerWaalsContact CE-CE1 3.49Å; K751-H961 WeakPolarHBondContact CE-CE1 3.3Å; K751-H961 PolarHBondContact NZ-CD2 2.85Å; K751-H961 PolarHBondContact NZ-CE1 3.43Å; K751-H961 VanDerWaalsContact NZ-CE1 3.28Å; K751-H961 PolarHBondContact NZ-ND1 3.05Å; K751-H961 PolarHBondContact NZ-NE2 3.1Å | ||
| 752 | D | 81.7 | Confident | 80.2 | Confident | 114 Ų | 114 | 80.2 Ų | 80.2 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -95 | -171.3 | -177.9 | -52.8 | -58.6 | 0 | 0 | 0 | 111.6 | W750 | W750-D752 HydrophobicContact CH2-CB 4.28Å; W750-D752 HydrophobicContact CZ2-CB 3.73Å; W750-D752 PolarHBondContact NE1-O 3.11Å; W750-D752 VanDerWaalsContact NE1-O 3.13Å |
| 753 | A | 83.8 | Confident | 80.2 | Confident | 58 Ų | 58 | 73.6 Ų | 73.6 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | trans | -58.5 | 142.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R671 W750 | R671-A753 HydrophobicContact CG-CB 4.27Å; W750-A753 PolarHBondContact NE1-O 3.15Å | ||
| 754 | L | 88.9 | Confident | 80 | Confident | 127 Ų | 127 | 78.1 Ų | 78.1 | 67% | 0.665 | 40% | 0.4 | S | S | * | . | trans | -67.7 | 174.7 | 179.6 | -61.9 | 177.1 | 0 | 0 | 0 | 112.1 | R671 | R671-L754 WeakPolarHBondContact CD-O 3.39Å; R671-L754 PolarHBondContact NH1-O 3.28Å | ||
| 755 | S | 91.3 | Very high | 79.7 | Confident | 50 Ų | 50 | 78.1 Ų | 78.1 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 155.7 | 171.2 | 43.7 | 0 | 0 | 0 | 0 | 112.5 | R671 Q780 | R671-S755 PolarHBondContact NH1-O 2.77Å; R671-S755 VanDerWaalsContact NH1-O 3.08Å; S755-Q780 VanDerWaalsContact CB-CD 3.45Å |
| 756 | L | 91.9 | Very high | 78.8 | Confident | 3 Ų | 3 | 79.5 Ų | 79.5 | 2% | 0.016 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 140.5 | 170.5 | -70.9 | 163.8 | 0 | 0 | 0 | 109.7 | F627 L629 R671 L672 Q708 | F627-L756 HydrophobicContact CB-CB 4.44Å; F627-L756 HydrophobicContact CD1-CB 3.49Å; F627-L756 VanDerWaalsContact CD1-CB 3.49Å; F627-L756 HydrophobicContact CD1-CD1 4.35Å; F627-L756 HydrophobicContact CD2-CD1 4.18Å; F627-L756 HydrophobicContact CE1-CB 3.88Å; F627-L756 HydrophobicContact CE1-CD1 4.44Å; F627-L756 HydrophobicContact CE2-CD1 4.27Å; F627-L756 HydrophobicContact CG-CB 3.96Å; F627-L756 HydrophobicContact CG-CD1 4.23Å; F627-L756 HydrophobicContact CZ-CD1 4.42Å; L629-L756 HydrophobicContact CD2-CD2 4.08Å; R671-L756 HydrophobicContact CB-CD1 4.15Å; R671-L756 HydrophobicContact CB-CD2 4.27Å; R671-L756 HydrophobicContact CB-CG 4.15Å; L672-L756 HydrophobicContact CD2-CD1 3.68Å; L672-L756 HydrophobicContact CG-CD1 4.22Å; Q708-L756 HydrophobicContact CG-CD1 4.42Å |
| 757 | R | 92.4 | Very high | 78.1 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 59% | 0.589 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 123.7 | 174 | -72.3 | 176.1 | 169.5 | -179.6 | -8.5 | 108.4 | F627 N628 D631 | F627-R757 CarbonylContact C-O 3.54Å; F627-R757 VanDerWaalsContact CA-O 3.22Å; F627-R757 WeakPolarHBondContact CA-O 3.49Å; F627-R757 WeakPolarHBondContact CB-O 3.3Å; N628-R757 PolarHBondContact N-O 3.33Å; D631-R757 IonicContact OD1-NH1 2.62Å; D631-R757 WeakPolarHBondContact OD2-CD 3.25Å; D631-R757 IonicContact OD2-CZ 3.94Å; D631-R757 IonicContact OD2-NE 2.98Å; D631-R757 IonicContact OD2-NH1 3.95Å; D631-R757 PolarHBondContact OD2-NH1 3.16Å |
| 758 | P | 92.6 | Very high | 77 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -61.9 | 159.6 | 172 | -18.8 | 31.1 | 0 | 0 | 0 | 111.6 | L626 P730 D731 R734 L778 | L626-P758 CarbonylContact O-C 3.52Å; L626-P758 VanDerWaalsContact O-CA 3.29Å; L626-P758 WeakPolarHBondContact O-CA 3.42Å; P730-P758 HydrophobicContact CB-CB 4.01Å; D731-P758 HydrophobicContact CB-CB 4.22Å; R734-P758 VanDerWaalsContact NH1-CD 3.34Å; P758-L778 HydrophobicContact CB-CD2 4.22Å; P758-L778 HydrophobicContact CG-CD2 4.12Å |
| 759 | T | 90.3 | Very high | 75.5 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 22% | 0.221 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 137.2 | 163.3 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | L626 F627 D731 P763 | L626-T759 PolarHBondContact O-N 2.78Å; F627-T759 PolarHBondContact N-OG1 3.17Å; D731-T759 PolarHBondContact N-O 2.88Å; T759-P763 HydrophobicContact CG2-CB 4.33Å; T759-P763 HydrophobicContact CG2-CG 4.08Å |
| 760 | E | 87.5 | Confident | 74.1 | Confident | 173 Ų | 173 | 69.4 Ų | 69.4 | 81% | 0.808 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -82.8 | 127.9 | 176.9 | -64.2 | 179.5 | 174.3 | 0 | 0 | 110.8 | ||
| 761 | G | 85.3 | Confident | 72.8 | Confident | 19 Ų | 19 | 66.9 Ų | 66.9 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 74 | -178.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E729 P730 D731 P763 | E729-G761 WeakPolarHBondContact OE1-CA 3.03Å; P730-G761 WeakPolarHBondContact CD-O 3.26Å; D731-G761 PolarHBondContact OD1-N 2.78Å; G761-P763 WeakPolarHBondContact O-CD 3.46Å |
| 762 | V | 79.4 | Confident | 72 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | trans | -63.5 | 112.6 | -178.1 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | E729 | E729-V762 HydrophobicContact CG-CB 4.44Å; E729-V762 HydrophobicContact CG-CG2 3.57Å; E729-V762 PolarHBondContact OE1-N 3.36Å | ||
| 763 | P | 70.4 | Confident | 71.9 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 10% | 0.097 | 32% | 0.322 | C | S | . | . | trans | -72.1 | 147.5 | 176.2 | -15.2 | 32.4 | 0 | 0 | 0 | 110.6 | F728 P730 T759 G761 Y765 | F728-P763 WeakPolarHBondContact O-CD 3.47Å; P730-P763 VanDerWaalsContact CD-CD 3.46Å; P730-P763 HydrophobicContact CG-CG 3.51Å; T759-P763 HydrophobicContact CG2-CB 4.33Å; T759-P763 HydrophobicContact CG2-CG 4.08Å; G761-P763 WeakPolarHBondContact O-CD 3.46Å; P763-Y765 HydrophobicContact CB-CD1 4.47Å; P763-Y765 HydrophobicContact CB-CE1 3.95Å; P763-Y765 HydrophobicContact CB-CE2 4.35Å; P763-Y765 VanDerWaalsContact CD-OH 3.3Å; P763-Y765 WeakPolarHBondContact CD-OH 3.35Å; P763-Y765 HydrophobicContact CG-CE1 4.07Å; P763-Y765 HydrophobicContact CG-CE2 4.29Å; P763-Y765 WeakPolarHBondContact CG-OH 3.49Å; P763-Y765 WeakPolarHBondContact O-CD2 3.44Å; P763-Y765 PolarHBondContact O-N 2.73Å | ||
| 764 | H | 63.4 | Low | 71.8 | Confident | 174 Ų | 174 | 56.2 Ų | 56.2 | 81% | 0.806 | 31% | 0.306 | S | S | * | . | trans | -76.5 | 98.2 | 168.9 | -76.5 | 37.8 | 0 | 0 | 0 | 109.1 | C766 | H764-C766 PolarHBondContact O-N 3.36Š| ||
| 765 | Y | 61.5 | Low | 71.8 | Confident | 40 Ų | 40 | 50.1 Ų | 50.1 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | trans | -72.8 | 58.9 | 177 | -62.5 | -64.2 | 0 | 0 | 0 | 112.6 | L626 W712 F728 P763 T767 P775 | L626-Y765 HydrophobicContact CD2-CE1 3.99Å; W712-Y765 HydrophobicContact CH2-CE1 4.41Å; W712-Y765 HydrophobicContact CZ3-CD1 4.46Å; W712-Y765 HydrophobicContact CZ3-CE1 4.38Å; F728-Y765 WeakPolarHBondContact CD1-OH 3.31Å; P763-Y765 HydrophobicContact CB-CD1 4.47Å; P763-Y765 HydrophobicContact CB-CE1 3.95Å; P763-Y765 HydrophobicContact CB-CE2 4.35Å; P763-Y765 VanDerWaalsContact CD-OH 3.3Å; P763-Y765 WeakPolarHBondContact CD-OH 3.35Å; P763-Y765 HydrophobicContact CG-CE1 4.07Å; P763-Y765 HydrophobicContact CG-CE2 4.29Å; P763-Y765 WeakPolarHBondContact CG-OH 3.49Å; P763-Y765 WeakPolarHBondContact O-CD2 3.44Å; P763-Y765 PolarHBondContact O-N 2.73Å; Y765-T767 PolarHBondContact O-N 2.62Å; Y765-P775 HydrophobicContact CD1-CG 4.41Å; Y765-P775 HydrophobicContact CE1-CG 3.66Å; Y765-P775 HydrophobicContact CE2-CG 3.77Å; Y765-P775 WeakPolarHBondContact OH-CG 3.38Å | ||
| 766 | C | 46.8 | Very low | 71.5 | Confident | 109 Ų | 109 | 48.2 Ų | 48.2 | 74% | 0.736 | 26% | 0.261 | S | S | * | . | trans | -72.2 | 79.3 | 167.7 | -64.8 | 0 | 0 | 0 | 0 | 109.1 | H764 P768 | H764-C766 PolarHBondContact O-N 3.36Å; C766-P768 WeakPolarHBondContact O-CD 3.28Å | ||
| 767 | T | 48.1 | Very low | 71.5 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 10% | 0.104 | 26% | 0.261 | C | S | . | . | trans | -66.1 | 125.3 | 167.6 | 51.1 | 0 | 0 | 0 | 0 | 108.1 | Y765 T769 G770 L771 | Y765-T767 PolarHBondContact O-N 2.62Å; T767-T769 PolarHBondContact O-N 2.73Å; T767-G770 PolarHBondContact O-N 3.13Å; T767-L771 PolarHBondContact OG1-O 2.74Å | ||
| 768 | P | 44.2 | Very low | 71.7 | Confident | 50 Ų | 50 | 41 Ų | 41 | 33% | 0.325 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 14 | -179.1 | 31.7 | -35.4 | 0 | 0 | 0 | 113.2 | T564 C766 | T564-P768 PolarHBondContact OG1-O 2.87Å; C766-P768 WeakPolarHBondContact O-CD 3.28Å |
| 769 | T | 46.9 | Very low | 71.9 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.08 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 33 | 177.5 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | A560 A561 T564 H617 T620 T767 L771 | A560-T769 CarbonylContact C-O 3.52Å; A560-T769 CarbonylContact O-C 3.51Å; A561-T769 WeakPolarHBondContact CA-O 3.49Å; A561-T769 PolarHBondContact N-O 3.25Å; T564-T769 WeakPolarHBondContact OG1-CA 3.35Å; T564-T769 PolarHBondContact OG1-N 2.88Å; T564-T769 VanDerWaalsContact OG1-N 3.11Å; H617-T769 WeakPolarHBondContact NE2-CG2 3.43Å; T620-T769 PolarHBondContact N-OG1 3.05Å; T767-T769 PolarHBondContact O-N 2.73Å; T769-L771 WeakPolarHBondContact O-CB 3.4Å; T769-L771 PolarHBondContact O-N 3.15Å |
| 770 | G | 47.8 | Very low | 72.2 | Confident | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 55.6 | -3.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | A560 T564 T767 | A560-G770 CarbonylContact O-C 3.58Å; A560-G770 WeakPolarHBondContact O-CA 3.38Å; T564-G770 VanDerWaalsContact CG2-CA 3.42Å; T564-G770 PolarHBondContact OG1-N 2.85Å; T767-G770 PolarHBondContact O-N 3.13Å |
| 771 | L | 55.4 | Low | 72.6 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | trans | -114.1 | 97.1 | -165.8 | -167.5 | -179.9 | 0 | 0 | 0 | 106.7 | L557 A560 L618 A714 T767 T769 F773 | L557-L771 HydrophobicContact CB-CD1 3.99Å; L557-L771 HydrophobicContact CD2-CD1 3.72Å; L557-L771 HydrophobicContact CD2-CD2 3.92Å; L557-L771 HydrophobicContact CD2-CG 4.05Å; L557-L771 HydrophobicContact CG-CD1 4.45Å; L557-L771 WeakPolarHBondContact O-CD1 3.26Å; A560-L771 HydrophobicContact CB-CB 3.59Å; A560-L771 HydrophobicContact CB-CD1 4.35Å; A560-L771 HydrophobicContact CB-CG 3.76Å; L618-L771 WeakPolarHBondContact O-CD1 3.28Å; A714-L771 HydrophobicContact CB-CD2 3.96Å; T767-L771 PolarHBondContact OG1-O 2.74Å; T769-L771 WeakPolarHBondContact O-CB 3.4Å; T769-L771 PolarHBondContact O-N 3.15Å; L771-F773 VanDerWaalsContact C-N 3.35Å; L771-F773 HydrophobicContact CD1-CE2 4.38Å; L771-F773 HydrophobicContact CD2-CD2 3.89Å; L771-F773 HydrophobicContact CD2-CE2 3.78Å; L771-F773 HydrophobicContact CD2-CG 4.35Å; L771-F773 HydrophobicContact CD2-CZ 4.16Å; L771-F773 PolarHBondContact O-N 2.78Å | ||
| 772 | T | 62.1 | Low | 72.9 | Confident | 50 Ų | 50 | 33.9 Ų | 33.9 | 31% | 0.307 | 19% | 0.194 | S | C | . | . | trans | -71.2 | 94.5 | 177.8 | 48.2 | 0 | 0 | 0 | 0 | 109.7 | H774 | T772-H774 VanDerWaalsContact CB-NE2 3.26Å; T772-H774 WeakPolarHBondContact CB-NE2 3.27Å; T772-H774 PolarHBondContact O-CD2 3.45Å; T772-H774 PolarHBondContact O-N 3.46Å; T772-H774 VanDerWaalsContact O-N 3.15Å; T772-H774 PolarHBondContact OG1-CD2 3.13Å; T772-H774 PolarHBondContact OG1-NE2 2.82Å | ||
| 773 | F | 79.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | trans | -61.3 | 107.8 | 148.5 | -73.6 | -79.8 | 0 | 0 | 0 | 106.7 | L606 L621 L698 L700 W712 A714 L771 | L606-F773 HydrophobicContact CD1-CE1 4.31Å; L606-F773 HydrophobicContact CD1-CE2 4.24Å; L606-F773 HydrophobicContact CD1-CZ 3.56Å; L606-F773 HydrophobicContact CD2-CE1 4.31Å; L606-F773 HydrophobicContact CD2-CZ 3.85Å; L606-F773 HydrophobicContact CG-CZ 4.34Å; L621-F773 HydrophobicContact CB-CD2 3.9Å; L621-F773 HydrophobicContact CB-CE2 4.23Å; L621-F773 HydrophobicContact CB-CG 4.27Å; L621-F773 HydrophobicContact CD1-CB 3.98Å; L621-F773 HydrophobicContact CD1-CG 4.41Å; L621-F773 HydrophobicContact CD2-CB 4.45Å; L621-F773 HydrophobicContact CD2-CD1 4.49Å; L621-F773 HydrophobicContact CD2-CG 4.33Å; L698-F773 HydrophobicContact CD2-CE1 4.41Å; L700-F773 HydrophobicContact CD2-CD1 4.47Å; L700-F773 HydrophobicContact CD2-CE1 4.15Å; W712-F773 HydrophobicContact CB-CB 4.31Å; W712-F773 HydrophobicContact CB-CD1 4.36Å; W712-F773 HydrophobicContact CD2-CB 4.47Å; W712-F773 HydrophobicContact CE3-CB 3.83Å; W712-F773 VanDerWaalsContact CE3-O 3.27Å; W712-F773 WeakPolarHBondContact CZ3-O 3.44Å; A714-F773 HydrophobicContact CB-CD1 3.97Å; A714-F773 HydrophobicContact CB-CE1 3.92Å; L771-F773 VanDerWaalsContact C-N 3.35Å; L771-F773 HydrophobicContact CD1-CE2 4.38Å; L771-F773 HydrophobicContact CD2-CD2 3.89Å; L771-F773 HydrophobicContact CD2-CE2 3.78Å; L771-F773 HydrophobicContact CD2-CG 4.35Å; L771-F773 HydrophobicContact CD2-CZ 4.16Å; L771-F773 PolarHBondContact O-N 2.78Å | ||
| 774 | H | 82.2 | Confident | 74.6 | Confident | 31 Ų | 31 | 30.5 Ų | 30.5 | 14% | 0.144 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123 | 175.6 | -71.1 | -102.7 | 0 | 0 | 0 | 109.1 | W712 V713 L725 T772 | W712-H774 CarbonylContact C-O 3.52Å; W712-H774 WeakPolarHBondContact CA-O 3.45Å; V713-H774 PolarHBondContact N-O 3.47Å; V713-H774 PolarHBondContact O-N 2.77Å; L725-H774 HydrophobicContact CB-CB 4.07Å; L725-H774 HydrophobicContact CD1-CB 4.45Å; L725-H774 HydrophobicContact CD2-CB 3.79Å; L725-H774 HydrophobicContact CG-CB 4.32Å; L725-H774 PolarHBondContact O-ND1 3.02Å; T772-H774 VanDerWaalsContact CB-NE2 3.26Å; T772-H774 WeakPolarHBondContact CB-NE2 3.27Å; T772-H774 PolarHBondContact O-CD2 3.45Å; T772-H774 PolarHBondContact O-N 3.46Å; T772-H774 VanDerWaalsContact O-N 3.15Å; T772-H774 PolarHBondContact OG1-CD2 3.13Å; T772-H774 PolarHBondContact OG1-NE2 2.82Å |
| 775 | P | 88 | Confident | 75.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 142.3 | 174 | 28.1 | -27 | 0 | 0 | 0 | 109.9 | L626 L711 W712 F728 Y765 | L626-P775 HydrophobicContact CD2-CB 4Å; L626-P775 HydrophobicContact CD2-CG 3.97Å; L711-P775 WeakPolarHBondContact O-CA 3.32Å; W712-P775 HydrophobicContact CD2-CB 3.95Å; W712-P775 HydrophobicContact CE3-CB 3.63Å; W712-P775 HydrophobicContact CE3-CG 3.97Å; W712-P775 HydrophobicContact CH2-CB 4.05Å; W712-P775 HydrophobicContact CH2-CG 4.13Å; W712-P775 HydrophobicContact CZ2-CB 4.33Å; W712-P775 HydrophobicContact CZ3-CB 3.7Å; W712-P775 HydrophobicContact CZ3-CG 3.64Å; F728-P775 HydrophobicContact CD1-CB 3.97Å; F728-P775 HydrophobicContact CD1-CG 3.7Å; F728-P775 HydrophobicContact CE1-CB 3.96Å; F728-P775 HydrophobicContact CE1-CG 4.14Å; F728-P775 HydrophobicContact CG-CB 4.49Å; F728-P775 HydrophobicContact CG-CG 4.28Å; F728-P775 WeakPolarHBondContact CG-O 3.39Å; Y765-P775 HydrophobicContact CD1-CG 4.41Å; Y765-P775 HydrophobicContact CE1-CG 3.66Å; Y765-P775 HydrophobicContact CE2-CG 3.77Å; Y765-P775 WeakPolarHBondContact OH-CG 3.38Å |
| 776 | C | 86.7 | Confident | 77.5 | Confident | 9 Ų | 9 | 25.1 Ų | 25.1 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -17.7 | -179.2 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | I685 L711 L725 F728 R815 | I685-C776 HydrophobicContact CD1-CB 3.74Å; L711-C776 PolarHBondContact O-N 3.23Å; L725-C776 HydrophobicContact CD2-CB 3.94Å; F728-C776 WeakPolarHBondContact CE2-O 3.5Å; C776-R815 PolarHBondContact O-NH1 3.27Å |
| 777 | Q | 91.3 | Very high | 79.9 | Confident | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 135.5 | 174.9 | -173.2 | 56.4 | 59.8 | 0 | 0 | 110.9 | S710 L711 F733 I779 L812 | S710-Q777 WeakPolarHBondContact CA-O 3.23Å; L711-Q777 HydrophobicContact CB-CB 4.23Å; L711-Q777 HydrophobicContact CD1-CB 4.4Å; L711-Q777 PolarHBondContact N-O 3.4Å; F733-Q777 PolarHBondContact O-NE2 2.98Å; Q777-I779 HydrophobicContact CG-CD1 3.75Å; Q777-I779 HydrophobicContact CG-CG1 4.19Å; Q777-L812 HydrophobicContact CG-CD2 4.13Å |
| 778 | L | 95.4 | Very high | 82.3 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.3 | 166.7 | 178.7 | 63.4 | 0 | 0 | 0 | 109.3 | L626 F627 F728 P730 R734 I735 P758 | L626-L778 HydrophobicContact CD1-CD1 4.18Å; F627-L778 HydrophobicContact CE1-CD1 4.21Å; F627-L778 HydrophobicContact CE1-CD2 4.21Å; F627-L778 HydrophobicContact CZ-CD1 3.92Å; F728-L778 HydrophobicContact CZ-CB 4.2Å; P730-L778 HydrophobicContact CB-CD2 4.18Å; P730-L778 WeakPolarHBondContact O-CD2 3.27Å; R734-L778 WeakPolarHBondContact CA-O 3.36Å; R734-L778 HydrophobicContact CB-CD2 4.34Å; R734-L778 HydrophobicContact CG-CD2 4.22Å; R734-L778 HydrophobicContact CG-CG 4.22Å; I735-L778 PolarHBondContact N-O 2.76Å; P758-L778 HydrophobicContact CB-CD2 4.22Å; P758-L778 HydrophobicContact CG-CD2 4.12Å |
| 779 | I | 97.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 137.4 | 174.1 | -47.6 | 88.2 | 0 | 0 | 0 | 107.9 | Q708 V709 L711 I735 V737 Q777 L799 I801 L810 | Q708-I779 CarbonylContact C-O 3.35Å; Q708-I779 WeakPolarHBondContact CA-O 3.4Å; V709-I779 HydrophobicContact CB-CB 4.32Å; V709-I779 HydrophobicContact CB-CD1 4.14Å; V709-I779 HydrophobicContact CG1-CD1 4.1Å; V709-I779 PolarHBondContact N-O 3.14Å; V709-I779 WeakPolarHBondContact O-CD1 3.46Å; V709-I779 PolarHBondContact O-N 2.92Å; L711-I779 HydrophobicContact CD1-CD1 3.84Å; I735-I779 HydrophobicContact CB-CG2 4.39Å; I735-I779 WeakPolarHBondContact O-CA 3.41Å; I735-I779 WeakPolarHBondContact O-CG2 3.41Å; V737-I779 HydrophobicContact CG2-CG2 3.68Å; Q777-I779 HydrophobicContact CG-CD1 3.75Å; Q777-I779 HydrophobicContact CG-CG1 4.19Å; I779-L799 HydrophobicContact CD1-CD2 3.64Å; I779-L799 HydrophobicContact CG1-CD2 4.28Å; I779-I801 HydrophobicContact CB-CD1 3.95Å; I779-I801 HydrophobicContact CD1-CD1 4.33Å; I779-I801 HydrophobicContact CG1-CD1 4.06Å; I779-I801 HydrophobicContact CG2-CD1 3.75Å; I779-L810 HydrophobicContact CG1-CD2 4Å; I779-L810 HydrophobicContact CG2-CD2 3.92Å |
| 780 | Q | 96.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 17.9 Ų | 17.9 | 4% | 0.042 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.8 | 171.8 | 176.8 | 63.6 | 67.3 | 0 | 0 | 109.2 | G706 G707 R734 I735 C736 V737 S755 | G706-Q780 PolarHBondContact O-NE2 2.94Å; G707-Q780 PolarHBondContact O-NE2 2.98Å; R734-Q780 HydrophobicContact CG-CB 4.28Å; I735-Q780 PolarHBondContact O-N 2.86Å; C736-Q780 WeakPolarHBondContact CA-O 3.47Å; V737-Q780 PolarHBondContact N-O 2.82Å; S755-Q780 VanDerWaalsContact CB-CD 3.45Å |
| 781 | L | 95.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 147.1 | 170.7 | -59.4 | -176.1 | 0 | 0 | 0 | 111.3 | G707 V737 L739 P783 P784 I787 I801 | G707-L781 WeakPolarHBondContact O-CB 3.49Å; G707-L781 WeakPolarHBondContact O-CG 3.42Å; G707-L781 PolarHBondContact O-N 2.81Å; V737-L781 HydrophobicContact CB-CD2 4.01Å; V737-L781 HydrophobicContact CG1-CD2 4.44Å; V737-L781 HydrophobicContact CG2-CD2 4.49Å; V737-L781 CarbonylContact O-C 3.57Å; V737-L781 WeakPolarHBondContact O-CA 3.21Å; L739-L781 HydrophobicContact CD1-CD1 4.05Å; L739-L781 HydrophobicContact CD1-CD2 4.41Å; L739-L781 HydrophobicContact CG-CD2 4.42Å; L781-P783 CarbonylContact C-O 3.57Å; L781-P783 CarbonylContact O-C 3.56Å; L781-P784 WeakPolarHBondContact O-CA 3.41Å; L781-I787 HydrophobicContact CD1-CD1 3.37Å; L781-I787 HydrophobicContact CG-CD1 4.03Å; L781-I801 HydrophobicContact CD1-CG2 4.13Å; L781-I801 HydrophobicContact CD2-CG2 4.3Å; L781-I801 HydrophobicContact CG-CG2 4.49Å |
| 782 | N | 92 | Very high | 91.4 | Very high | 82 Ų | 82 | 17.1 Ų | 17.1 | 44% | 0.439 | 9% | 0.092 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 122.8 | 161.9 | -175.3 | 60.1 | 0 | 0 | 0 | 107.8 | V737 N738 L739 | V737-N782 PolarHBondContact O-N 2.88Å; N738-N782 PolarHBondContact OD1-ND2 3.04Å; N738-N782 VanDerWaalsContact OD1-ND2 3.15Å; N738-N782 PolarHBondContact OD1-O 2.72Å; N738-N782 VanDerWaalsContact OD1-O 3.05Å; L739-N782 PolarHBondContact N-O 2.91Å |
| 783 | P | 91.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | S | Bend | cis | -63 | 155.6 | -4.2 | 29.7 | -34.9 | 0 | 0 | 0 | 111.8 | I740 Y748 W750 L781 S785 H805 | I740-P783 HydrophobicContact CD1-CG 4.42Å; Y748-P783 HydrophobicContact CE1-CB 4.07Å; Y748-P783 HydrophobicContact CE1-CG 4.22Å; W750-P783 HydrophobicContact CD2-CB 3.94Å; W750-P783 HydrophobicContact CE3-CB 3.56Å; W750-P783 HydrophobicContact CE3-CG 4.4Å; W750-P783 HydrophobicContact CG-CB 4.46Å; W750-P783 HydrophobicContact CZ3-CB 3.98Å; L781-P783 CarbonylContact C-O 3.57Å; L781-P783 CarbonylContact O-C 3.56Å; P783-S785 PolarHBondContact O-N 2.91Å; P783-H805 HydrophobicContact CG-CB 4.27Å |
| 784 | P | 93.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | trans | -76.5 | 52.3 | -177.5 | 34.3 | -37.4 | 0 | 0 | 0 | 112 | G706 W750 L781 | G706-P784 CarbonylContact C-O 3.47Å; G706-P784 WeakPolarHBondContact CA-O 3.35Å; G706-P784 CarbonylContact O-C 3.59Å; G706-P784 WeakPolarHBondContact O-CA 3.11Å; G706-P784 VanDerWaalsContact O-CB 3.27Å; G706-P784 WeakPolarHBondContact O-CB 3.43Å; W750-P784 HydrophobicContact CD2-CG 4.38Å; W750-P784 HydrophobicContact CZ2-CG 3.8Å; L781-P784 WeakPolarHBondContact O-CA 3.41Å | ||
| 785 | S | 91.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | trans | -91.9 | 148.1 | -174.4 | 79 | 0 | 0 | 0 | 0 | 112.3 | G707 P783 I787 S804 H805 | G707-S785 WeakPolarHBondContact CA-O 3.44Å; G707-S785 PolarHBondContact N-O 2.95Å; P783-S785 PolarHBondContact O-N 2.91Å; S785-I787 PolarHBondContact O-N 2.95Å; S785-S804 WeakPolarHBondContact CB-OG 2.98Å; S785-S804 PolarHBondContact OG-OG 2.83Å; S785-S804 VanDerWaalsContact OG-OG 3.13Å; S785-H805 VanDerWaalsContact CB-ND1 3.28Å; S785-H805 WeakPolarHBondContact CB-ND1 3.44Å; S785-H805 PolarHBondContact OG-ND1 3.17Å | ||
| 786 | Q | 94.8 | Very high | 93.1 | Very high | 98 Ų | 98 | 17.4 Ų | 17.4 | 46% | 0.458 | 9% | 0.093 | S | C | . | . | trans | -39.8 | 131.2 | -178.5 | 177.9 | 173.2 | 35.8 | 0 | 0 | 114.2 | T675 A705 T788 S803 S804 | T675-Q786 HydrophobicContact CG2-CG 3.91Å; T675-Q786 VanDerWaalsContact CG2-NE2 3.25Å; A705-Q786 WeakPolarHBondContact O-CA 3.29Å; A705-Q786 PolarHBondContact O-N 3.13Å; A705-Q786 VanDerWaalsContact O-N 3.1Å; Q786-T788 HydrophobicContact CG-CG2 4.33Å; Q786-T788 PolarHBondContact O-N 3.17Å; Q786-S803 WeakPolarHBondContact O-CA 3.25Å; Q786-S804 PolarHBondContact O-N 3.38Å | ||
| 787 | I | 97.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 122.8 | 169.5 | -53.3 | -54.3 | 0 | 0 | 0 | 109.1 | T675 Q676 G704 Q708 V709 L781 S785 L790 I801 | T675-I787 WeakPolarHBondContact CB-O 3.04Å; T675-I787 PolarHBondContact OG1-O 2.9Å; Q676-I787 HydrophobicContact CB-CG2 4.11Å; Q676-I787 HydrophobicContact CG-CG2 4.11Å; G704-I787 WeakPolarHBondContact O-CG1 3.08Å; G704-I787 PolarHBondContact O-N 2.96Å; G704-I787 VanDerWaalsContact O-N 3.13Å; Q708-I787 WeakPolarHBondContact O-CG1 3.21Å; V709-I787 HydrophobicContact CG2-CD1 3.66Å; V709-I787 HydrophobicContact CG2-CG1 3.65Å; V709-I787 HydrophobicContact CG2-CG2 4.17Å; L781-I787 HydrophobicContact CD1-CD1 3.37Å; L781-I787 HydrophobicContact CG-CD1 4.03Å; S785-I787 PolarHBondContact O-N 2.95Å; I787-L790 HydrophobicContact CG2-CD2 3.91Å; I787-L790 HydrophobicContact CG2-CG 4.06Å; I787-I801 HydrophobicContact CD1-CG2 3.7Å; I787-I801 HydrophobicContact CG2-CG2 4.3Å |
| 788 | T | 97.1 | Very high | 93.3 | Very high | 16 Ų | 16 | 17.3 Ų | 17.3 | 10% | 0.098 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -12.1 | -173.5 | 53.9 | 0 | 0 | 0 | 0 | 114 | Q786 G802 S803 V972 | Q786-T788 HydrophobicContact CG-CG2 4.33Å; Q786-T788 PolarHBondContact O-N 3.17Å; T788-G802 PolarHBondContact N-O 3.15Å; T788-G802 PolarHBondContact OG1-O 2.72Å; T788-S803 WeakPolarHBondContact OG1-CA 3.5Å; T788-S803 PolarHBondContact OG1-N 3.47Å; T788-S803 PolarHBondContact OG1-O 3.4Å; T788-V972 CarbonylContact C-O 3.47Å; T788-V972 WeakPolarHBondContact CB-O 3.36Å; T788-V972 PolarHBondContact OG1-O 2.91Å |
| 789 | S | 97.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 157.5 | 165.3 | 47.9 | 0 | 0 | 0 | 0 | 112.5 | G802 V972 | S789-G802 PolarHBondContact N-O 2.78Å; S789-G802 PolarHBondContact O-N 2.86Å; S789-V972 PolarHBondContact OG-O 3.37Å |
| 790 | L | 98 | Very high | 93.4 | Very high | 18 Ų | 18 | 17.3 Ų | 17.3 | 9% | 0.094 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 145.9 | 176 | -68.9 | 172.2 | 0 | 0 | 0 | 110 | Q676 L678 V701 V709 I787 I801 | Q676-L790 HydrophobicContact CB-CD1 3.73Å; Q676-L790 HydrophobicContact CB-CG 3.94Å; L678-L790 HydrophobicContact CB-CB 4.27Å; L678-L790 HydrophobicContact CD2-CB 4.37Å; V701-L790 HydrophobicContact CB-CD1 4.28Å; V701-L790 HydrophobicContact CG1-CD1 3.91Å; V701-L790 HydrophobicContact CG1-CD2 4.25Å; V709-L790 HydrophobicContact CG1-CD2 4.01Å; V709-L790 HydrophobicContact CG2-CD2 3.99Å; I787-L790 HydrophobicContact CG2-CD2 3.91Å; I787-L790 HydrophobicContact CG2-CG 4.06Å; L790-I801 HydrophobicContact CD2-CG1 4.3Å; L790-I801 HydrophobicContact CD2-CG2 4.33Å |
| 791 | A | 96.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 16.9 Ų | 16.9 | 8% | 0.083 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 142.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A800 L975 F977 | A791-A800 HydrophobicContact CB-CB 4.47Å; A791-A800 PolarHBondContact N-O 2.83Å; A791-A800 PolarHBondContact O-N 2.86Å; A791-L975 HydrophobicContact CB-CB 3.64Å; A791-F977 HydrophobicContact CB-CD2 3.92Å; A791-F977 HydrophobicContact CB-CE2 4.06Å |
| 792 | L | 94 | Very high | 93.5 | Very high | 13 Ų | 13 | 16.8 Ų | 16.8 | 7% | 0.068 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 131.1 | 177.3 | -178.5 | 70.5 | 0 | 0 | 0 | 108.4 | L678 L680 T699 V701 L711 L794 L799 L812 | L678-L792 HydrophobicContact CD2-CB 3.75Å; L680-L792 HydrophobicContact CD1-CB 4.33Å; L680-L792 HydrophobicContact CD1-CD2 4.01Å; T699-L792 HydrophobicContact CG2-CD2 3.96Å; V701-L792 HydrophobicContact CG2-CB 4.35Å; V701-L792 HydrophobicContact CG2-CD2 3.84Å; L711-L792 HydrophobicContact CD2-CD1 4.38Å; L792-L794 HydrophobicContact CD2-CD2 3.58Å; L792-L794 HydrophobicContact CD2-CG 4.12Å; L792-L794 HydrophobicContact CG-CD2 4.12Å; L792-L794 HydrophobicContact CG-CG 4.41Å; L792-L799 HydrophobicContact CB-CD1 4.42Å; L792-L799 HydrophobicContact CD1-CB 4.05Å; L792-L799 HydrophobicContact CD1-CD1 4.05Å; L792-L812 HydrophobicContact CD1-CD1 3.47Å; L792-L812 VanDerWaalsContact CD1-CD1 3.47Å |
| 793 | E | 91.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 12.9 Ų | 12.9 | 18% | 0.182 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 100.3 | 170.6 | -177.5 | 45.3 | -103.4 | 0 | 0 | 109.3 | S795 W796 N797 L798 F977 | E793-S795 VanDerWaalsContact C-N 3.28Å; E793-S795 WeakPolarHBondContact CG-OG 3.4Å; E793-S795 PolarHBondContact O-N 3Å; E793-S795 WeakPolarHBondContact OE1-CB 3.36Å; E793-S795 PolarHBondContact OE1-N 3.03Å; E793-S795 PolarHBondContact OE1-OG 3.46Å; E793-W796 HydrophobicContact CB-CD2 4.27Å; E793-W796 HydrophobicContact CB-CE3 4.07Å; E793-W796 HydrophobicContact CG-CB 4.14Å; E793-W796 HydrophobicContact CG-CD2 3.48Å; E793-W796 VanDerWaalsContact CG-CD2 3.48Å; E793-W796 HydrophobicContact CG-CE3 3.7Å; E793-W796 HydrophobicContact CG-CG 3.7Å; E793-W796 HydrophobicContact CG-CZ2 4.44Å; E793-W796 HydrophobicContact CG-CZ3 4.28Å; E793-W796 PolarHBondContact O-N 3.16Å; E793-N797 PolarHBondContact O-N 3.21Å; E793-L798 PolarHBondContact N-O 2.92Å; E793-L798 PolarHBondContact O-N 3.39Å; E793-L798 VanDerWaalsContact O-N 3.16Å; E793-F977 HydrophobicContact CB-CB 3.91Å; E793-F977 HydrophobicContact CB-CD2 3.57Å; E793-F977 HydrophobicContact CB-CE2 4.16Å; E793-F977 HydrophobicContact CB-CG 3.77Å; E793-F977 HydrophobicContact CG-CB 4.42Å |
| 794 | L | 85.7 | Confident | 93.7 | Very high | 23 Ų | 23 | 13.5 Ų | 13.5 | 12% | 0.12 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -32 | -175.9 | -69.6 | 175.8 | 0 | 0 | 0 | 112.2 | L680 P684 L792 W796 N797 | L680-L794 HydrophobicContact CB-CD1 4.06Å; L680-L794 HydrophobicContact CD2-CD1 3.95Å; L680-L794 HydrophobicContact CD2-CG 4.14Å; P684-L794 HydrophobicContact CB-CD2 3.8Å; P684-L794 HydrophobicContact CG-CD2 4.14Å; L792-L794 HydrophobicContact CD2-CD2 3.58Å; L792-L794 HydrophobicContact CD2-CG 4.12Å; L792-L794 HydrophobicContact CG-CD2 4.12Å; L792-L794 HydrophobicContact CG-CG 4.41Å; L794-W796 PolarHBondContact O-N 2.99Å; L794-N797 PolarHBondContact O-N 3.34Å |
| 795 | S | 83.3 | Confident | 93.5 | Very high | 23 Ų | 23 | 13.3 Ų | 13.3 | 16% | 0.161 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -25.8 | 178.3 | 61.4 | 0 | 0 | 0 | 0 | 113 | E793 Y1050 R1051 | E793-S795 VanDerWaalsContact C-N 3.28Å; E793-S795 WeakPolarHBondContact CG-OG 3.4Å; E793-S795 PolarHBondContact O-N 3Å; E793-S795 WeakPolarHBondContact OE1-CB 3.36Å; E793-S795 PolarHBondContact OE1-N 3.03Å; E793-S795 PolarHBondContact OE1-OG 3.46Å; S795-Y1050 WeakPolarHBondContact O-CA 3.35Å; S795-Y1050 WeakPolarHBondContact O-CD2 3.4Å; S795-R1051 PolarHBondContact O-N 2.83Å |
| 796 | W | 88.3 | Confident | 93.6 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -9.6 | 178.5 | -51.7 | -16.1 | 0 | 0 | 0 | 112.8 | E793 L794 L798 F977 E979 P989 L1005 W1007 S1047 A1049 R1051 | E793-W796 HydrophobicContact CB-CD2 4.27Å; E793-W796 HydrophobicContact CB-CE3 4.07Å; E793-W796 HydrophobicContact CG-CB 4.14Å; E793-W796 HydrophobicContact CG-CD2 3.48Å; E793-W796 VanDerWaalsContact CG-CD2 3.48Å; E793-W796 HydrophobicContact CG-CE3 3.7Å; E793-W796 HydrophobicContact CG-CG 3.7Å; E793-W796 HydrophobicContact CG-CZ2 4.44Å; E793-W796 HydrophobicContact CG-CZ3 4.28Å; E793-W796 PolarHBondContact O-N 3.16Å; L794-W796 PolarHBondContact O-N 2.99Å; W796-L798 VanDerWaalsContact C-N 3.26Å; W796-L798 HydrophobicContact CB-CB 4.32Å; W796-L798 HydrophobicContact CB-CD1 4.11Å; W796-L798 HydrophobicContact CB-CG 3.82Å; W796-L798 HydrophobicContact CE3-CD1 4.26Å; W796-L798 PolarHBondContact O-N 3.35Å; W796-F977 HydrophobicContact CE3-CD1 4.03Å; W796-F977 HydrophobicContact CE3-CG 4.45Å; W796-F977 HydrophobicContact CH2-CB 4.46Å; W796-F977 HydrophobicContact CZ3-CB 3.93Å; W796-F977 AromaticContact CZ3-CD1 3.72Å; W796-F977 HydrophobicContact CZ3-CD1 3.72Å; W796-F977 HydrophobicContact CZ3-CG 4.15Å; W796-E979 HydrophobicContact CZ2-CB 4.29Å; W796-P989 HydrophobicContact CD2-CB 4.37Å; W796-P989 HydrophobicContact CE3-CB 4.28Å; W796-P989 HydrophobicContact CH2-CB 3.64Å; W796-P989 HydrophobicContact CZ2-CB 3.71Å; W796-P989 HydrophobicContact CZ2-CG 4.15Å; W796-P989 HydrophobicContact CZ3-CB 3.92Å; W796-L1005 HydrophobicContact CE3-CD1 4.28Å; W796-L1005 HydrophobicContact CZ3-CD1 4.06Å; W796-W1007 HydrophobicContact CB-CH2 4.17Å; W796-W1007 AromaticContact CD1-CH2 3.75Å; W796-W1007 AromaticContact CD2-CH2 3.86Å; W796-W1007 HydrophobicContact CD2-CH2 3.86Å; W796-W1007 HydrophobicContact CD2-CZ3 4.49Å; W796-W1007 AromaticContact CG-CH2 3.66Å; W796-W1007 HydrophobicContact CG-CH2 3.66Å; W796-W1007 HydrophobicContact CG-CZ2 4.33Å; W796-W1007 HydrophobicContact CG-CZ3 4.46Å; W796-S1047 WeakPolarHBondContact CZ2-OG 3.37Å; W796-S1047 PolarHBondContact NE1-OG 3.46Å; W796-A1049 VanDerWaalsContact CD1-O 3.29Å; W796-A1049 PolarHBondContact NE1-O 2.9Å; W796-A1049 VanDerWaalsContact NE1-O 3.14Å; W796-R1051 WeakPolarHBondContact O-CD 3.5Å; W796-R1051 PolarHBondContact O-NH1 2.68Å |
| 797 | N | 88.2 | Confident | 93.7 | Very high | 14 Ų | 14 | 8.5 Ų | 8.5 | 8% | 0.075 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 39.8 | -167.6 | -70.4 | -69.6 | 0 | 0 | 0 | 113.1 | P684 E793 L794 L812 F813 | P684-N797 WeakPolarHBondContact CB-OD1 3.47Å; P684-N797 PolarHBondContact O-OD1 2.92Å; E793-N797 PolarHBondContact O-N 3.21Å; L794-N797 PolarHBondContact O-N 3.34Å; N797-L812 HydrophobicContact CB-CB 4.44Å; N797-L812 WeakPolarHBondContact O-CB 3.11Å; N797-L812 PolarHBondContact O-N 2.89Å; N797-F813 HydrophobicContact CB-CB 4.14Å |
| 798 | L | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.4 | -178.8 | -63 | -171.4 | 0 | 0 | 0 | 112.1 | E793 W796 L809 D811 I818 F977 L1005 V1014 | E793-L798 PolarHBondContact N-O 2.92Å; E793-L798 PolarHBondContact O-N 3.39Å; E793-L798 VanDerWaalsContact O-N 3.16Å; W796-L798 VanDerWaalsContact C-N 3.26Å; W796-L798 HydrophobicContact CB-CB 4.32Å; W796-L798 HydrophobicContact CB-CD1 4.11Å; W796-L798 HydrophobicContact CB-CG 3.82Å; W796-L798 HydrophobicContact CE3-CD1 4.26Å; W796-L798 PolarHBondContact O-N 3.35Å; L798-L809 HydrophobicContact CB-CD1 4.43Å; L798-D811 HydrophobicContact CD2-CB 4.27Å; L798-I818 HydrophobicContact CD1-CD1 4.49Å; L798-I818 HydrophobicContact CD2-CD1 3.47Å; L798-I818 VanDerWaalsContact CD2-CD1 3.47Å; L798-F977 HydrophobicContact CB-CE1 4.04Å; L798-F977 HydrophobicContact CB-CE2 4.38Å; L798-F977 HydrophobicContact CB-CZ 3.7Å; L798-F977 HydrophobicContact CD1-CE1 4.46Å; L798-F977 VanDerWaalsContact O-CE2 3.23Å; L798-F977 WeakPolarHBondContact O-CE2 3.08Å; L798-L1005 HydrophobicContact CD1-CD1 3.98Å; L798-V1014 HydrophobicContact CD1-CG1 4.1Å; L798-V1014 HydrophobicContact CD1-CG2 4.37Å; L798-V1014 HydrophobicContact CD2-CG2 4.1Å |
| 799 | L | 96 | Very high | 93.6 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.4 | 173.8 | 176.3 | 73 | 0 | 0 | 0 | 109.4 | V701 L711 I779 L792 I801 L810 L812 | V701-L799 HydrophobicContact CG1-CD1 3.96Å; L711-L799 HydrophobicContact CD1-CD1 4.38Å; L711-L799 HydrophobicContact CD1-CD2 3.74Å; I779-L799 HydrophobicContact CD1-CD2 3.64Å; I779-L799 HydrophobicContact CG1-CD2 4.28Å; L792-L799 HydrophobicContact CB-CD1 4.42Å; L792-L799 HydrophobicContact CD1-CB 4.05Å; L792-L799 HydrophobicContact CD1-CD1 4.05Å; L799-I801 HydrophobicContact CD2-CD1 3.82Å; L799-I801 HydrophobicContact CD2-CG1 3.93Å; L799-I801 HydrophobicContact CG-CD1 4.41Å; L799-I801 HydrophobicContact CG-CG1 3.98Å; L799-L810 PolarHBondContact N-O 3.49Å; L799-L810 PolarHBondContact O-N 2.94Å; L799-L812 HydrophobicContact CB-CD1 4.11Å; L799-L812 HydrophobicContact CB-CD2 3.86Å; L799-L812 HydrophobicContact CB-CG 3.94Å; L799-L812 HydrophobicContact CD2-CD2 4.13Å |
| 800 | A | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A791 A808 L809 L975 F977 I991 | A791-A800 HydrophobicContact CB-CB 4.47Å; A791-A800 PolarHBondContact N-O 2.83Å; A791-A800 PolarHBondContact O-N 2.86Å; A800-A808 VanDerWaalsContact CA-O 3.27Å; A800-A808 WeakPolarHBondContact CA-O 3.26Å; A800-L809 HydrophobicContact CB-CD1 4.18Å; A800-L975 HydrophobicContact CB-CD1 3.88Å; A800-F977 HydrophobicContact CB-CE2 4.13Å; A800-F977 HydrophobicContact CB-CZ 3.85Å; A800-I991 HydrophobicContact CB-CD1 3.25Å |
| 801 | I | 98.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121 | -172.2 | -54.1 | 175.5 | 0 | 0 | 0 | 108.2 | V709 I779 L781 I787 L790 L799 F807 A808 L810 | V709-I801 HydrophobicContact CB-CD1 4Å; V709-I801 HydrophobicContact CG1-CD1 4.3Å; V709-I801 HydrophobicContact CG2-CD1 3.92Å; V709-I801 HydrophobicContact CG2-CG1 4.25Å; V709-I801 HydrophobicContact CG2-CG2 3.68Å; I779-I801 HydrophobicContact CB-CD1 3.95Å; I779-I801 HydrophobicContact CD1-CD1 4.33Å; I779-I801 HydrophobicContact CG1-CD1 4.06Å; I779-I801 HydrophobicContact CG2-CD1 3.75Å; L781-I801 HydrophobicContact CD1-CG2 4.13Å; L781-I801 HydrophobicContact CD2-CG2 4.3Å; L781-I801 HydrophobicContact CG-CG2 4.49Å; I787-I801 HydrophobicContact CD1-CG2 3.7Å; I787-I801 HydrophobicContact CG2-CG2 4.3Å; L790-I801 HydrophobicContact CD2-CG1 4.3Å; L790-I801 HydrophobicContact CD2-CG2 4.33Å; L799-I801 HydrophobicContact CD2-CD1 3.82Å; L799-I801 HydrophobicContact CD2-CG1 3.93Å; L799-I801 HydrophobicContact CG-CD1 4.41Å; L799-I801 HydrophobicContact CG-CG1 3.98Å; I801-F807 CarbonylContact O-C 3.57Å; I801-F807 WeakPolarHBondContact O-CA 3.32Å; I801-F807 WeakPolarHBondContact O-CB 3.32Å; I801-A808 PolarHBondContact N-O 2.79Å; I801-A808 PolarHBondContact O-N 3.2Å; I801-L810 HydrophobicContact CD1-CD1 3.71Å; I801-L810 HydrophobicContact CG1-CD1 4.03Å |
| 802 | G | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 141.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | T788 S789 | T788-G802 PolarHBondContact N-O 3.15Å; T788-G802 PolarHBondContact OG1-O 2.72Å; S789-G802 PolarHBondContact N-O 2.78Å; S789-G802 PolarHBondContact O-N 2.86Å |
| 803 | S | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 178.1 | 178.7 | 71.9 | 0 | 0 | 0 | 0 | 111.2 | L739 Q786 T788 H805 G806 V972 | L739-S803 WeakPolarHBondContact CD1-OG 3.49Å; Q786-S803 WeakPolarHBondContact O-CA 3.25Å; T788-S803 WeakPolarHBondContact OG1-CA 3.5Å; T788-S803 PolarHBondContact OG1-N 3.47Å; T788-S803 PolarHBondContact OG1-O 3.4Å; S803-H805 PolarHBondContact O-N 3.28Å; S803-H805 PolarHBondContact OG-N 2.94Å; S803-G806 PolarHBondContact N-O 2.99Å; S803-G806 PolarHBondContact OG-N 3.05Å; S803-G806 PolarHBondContact OG-O 2.59Å; S803-V972 PolarHBondContact O-N 3.12Å |
| 804 | S | 91.2 | Very high | 91.9 | Very high | 14 Ų | 14 | 12.3 Ų | 12.3 | 10% | 0.098 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -61.6 | -23.1 | 171.6 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | S785 Q786 S970 A971 | S785-S804 WeakPolarHBondContact CB-OG 2.98Å; S785-S804 PolarHBondContact OG-OG 2.83Å; S785-S804 VanDerWaalsContact OG-OG 3.13Å; Q786-S804 PolarHBondContact O-N 3.38Å; S804-S970 CarbonylContact O-C 3.59Å; S804-S970 PolarHBondContact O-OG 2.83Å; S804-A971 WeakPolarHBondContact O-CA 3.49Å; S804-A971 PolarHBondContact O-N 2.97Å |
| 805 | H | 90.3 | Very high | 92 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.009 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -102.1 | -23.6 | -175.3 | -70.3 | 77.1 | 0 | 0 | 0 | 114.7 | L739 Y748 W750 P783 S785 S803 F822 T823 | L739-H805 HydrophobicContact CD1-CB 4.44Å; Y748-H805 AromaticContact CE2-CD2 3.87Å; Y748-H805 AromaticContact CE2-NE2 3.92Å; Y748-H805 AromaticContact CZ-CD2 3.93Å; Y748-H805 AromaticContact CZ-NE2 3.73Å; Y748-H805 PolarHBondContact OH-CD2 3.39Å; Y748-H805 PolarHBondContact OH-NE2 3.26Å; W750-H805 AromaticContact CZ3-CE1 3.83Å; P783-H805 HydrophobicContact CG-CB 4.27Å; S785-H805 VanDerWaalsContact CB-ND1 3.28Å; S785-H805 WeakPolarHBondContact CB-ND1 3.44Å; S785-H805 PolarHBondContact OG-ND1 3.17Å; S803-H805 PolarHBondContact O-N 3.28Å; S803-H805 PolarHBondContact OG-N 2.94Å; H805-F822 HydrophobicContact CB-CD2 4.39Å; H805-F822 HydrophobicContact CB-CE2 4.17Å; H805-F822 WeakPolarHBondContact O-CD2 3.38Å; H805-T823 PolarHBondContact O-N 2.96Å; H805-T823 PolarHBondContact O-OG1 2.78Å |
| 806 | G | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171 | -175.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S803 H821 T823 | S803-G806 PolarHBondContact N-O 2.99Å; S803-G806 PolarHBondContact OG-N 3.05Å; S803-G806 PolarHBondContact OG-O 2.59Å; G806-H821 WeakPolarHBondContact CA-O 3.35Å; G806-T823 WeakPolarHBondContact CA-OG1 3.3Å; G806-T823 PolarHBondContact N-OG1 2.82Å |
| 807 | F | 96.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 160.2 | 171.3 | 80.5 | -78.3 | 0 | 0 | 0 | 112.4 | L739 I801 H819 H821 T823 V972 L975 V993 F1003 | L739-F807 WeakPolarHBondContact CD2-O 3.13Å; I801-F807 CarbonylContact O-C 3.57Å; I801-F807 WeakPolarHBondContact O-CA 3.32Å; I801-F807 WeakPolarHBondContact O-CB 3.32Å; F807-H819 AromaticContact CZ-CD2 3.81Å; F807-H821 HydrophobicContact CD1-CB 3.91Å; F807-H821 HydrophobicContact CE1-CB 3.49Å; F807-H821 VanDerWaalsContact CE1-CB 3.49Å; F807-H821 AromaticContact CE1-CG 3.78Å; F807-H821 HydrophobicContact CZ-CB 4.05Å; F807-H821 PolarHBondContact N-O 3.17Å; F807-H821 VanDerWaalsContact N-O 3.14Å; F807-H821 PolarHBondContact O-N 2.79Å; F807-T823 HydrophobicContact CD1-CG2 4.31Å; F807-V972 HydrophobicContact CB-CB 4.49Å; F807-V972 HydrophobicContact CB-CG1 4.18Å; F807-V972 HydrophobicContact CB-CG2 4.13Å; F807-L975 HydrophobicContact CB-CD2 4.48Å; F807-V993 HydrophobicContact CD1-CG1 3.76Å; F807-V993 HydrophobicContact CD1-CG2 4.19Å; F807-V993 HydrophobicContact CD2-CG2 4.16Å; F807-V993 HydrophobicContact CE1-CG1 4.14Å; F807-V993 HydrophobicContact CE1-CG2 3.95Å; F807-V993 HydrophobicContact CE2-CG2 3.94Å; F807-V993 HydrophobicContact CG-CG1 4.11Å; F807-V993 HydrophobicContact CG-CG2 4.3Å; F807-V993 HydrophobicContact CZ-CG2 3.84Å; F807-F1003 AromaticContact CE1-CE2 3.92Å; F807-F1003 HydrophobicContact CE1-CE2 3.92Å; F807-F1003 HydrophobicContact CE1-CZ 4.07Å; F807-F1003 HydrophobicContact CZ-CD2 4.08Å; F807-F1003 HydrophobicContact CZ-CE1 4.39Å; F807-F1003 AromaticContact CZ-CE2 3.46Å; F807-F1003 HydrophobicContact CZ-CE2 3.46Å; F807-F1003 VanDerWaalsContact CZ-CE2 3.46Å; F807-F1003 AromaticContact CZ-CZ 3.64Å; F807-F1003 HydrophobicContact CZ-CZ 3.64Å |
| 808 | A | 96.9 | Very high | 93 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 149.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V737 L739 A800 I801 L810 H819 | V737-A808 HydrophobicContact CG1-CB 3.74Å; L739-A808 HydrophobicContact CD2-CB 4.14Å; A800-A808 VanDerWaalsContact CA-O 3.27Å; A800-A808 WeakPolarHBondContact CA-O 3.26Å; I801-A808 PolarHBondContact N-O 2.79Å; I801-A808 PolarHBondContact O-N 3.2Å; A808-L810 HydrophobicContact CB-CD1 3.86Å; A808-H819 CarbonylContact C-O 3.48Å; A808-H819 WeakPolarHBondContact CA-O 3.36Å |
| 809 | L | 97.3 | Very high | 93 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 125.2 | 168.9 | 177.7 | 68.1 | 0 | 0 | 0 | 108 | L798 A800 I818 H819 F977 I991 L1005 A1016 | L798-L809 HydrophobicContact CB-CD1 4.43Å; A800-L809 HydrophobicContact CB-CD1 4.18Å; L809-I818 HydrophobicContact CD2-CB 4.13Å; L809-I818 HydrophobicContact CD2-CD1 4.23Å; L809-I818 HydrophobicContact CD2-CG2 3.87Å; L809-I818 HydrophobicContact CG-CB 4.11Å; L809-I818 HydrophobicContact CG-CD1 3.99Å; L809-I818 HydrophobicContact CG-CG2 4.41Å; L809-I818 PolarHBondContact O-N 3.48Å; L809-H819 HydrophobicContact CB-CB 4.22Å; L809-H819 PolarHBondContact N-O 3.24Å; L809-H819 PolarHBondContact O-N 3.23Å; L809-F977 HydrophobicContact CD1-CE1 3.64Å; L809-F977 HydrophobicContact CD1-CZ 3.56Å; L809-I991 HydrophobicContact CD1-CD1 4.22Å; L809-I991 HydrophobicContact CD2-CG2 4.48Å; L809-L1005 HydrophobicContact CD2-CD2 3.55Å; L809-A1016 HydrophobicContact CD2-CB 3.89Å |
| 810 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 141.9 | -174.6 | -60.6 | 91.4 | 0 | 0 | 0 | 110.9 | I735 V737 I779 L799 I801 A808 S816 | I735-L810 HydrophobicContact CB-CD2 4.29Å; I735-L810 HydrophobicContact CD1-CD2 3.9Å; I735-L810 HydrophobicContact CG2-CD2 3.85Å; V737-L810 HydrophobicContact CG2-CD2 4.02Å; I779-L810 HydrophobicContact CG1-CD2 4Å; I779-L810 HydrophobicContact CG2-CD2 3.92Å; L799-L810 PolarHBondContact N-O 3.49Å; L799-L810 PolarHBondContact O-N 2.94Å; I801-L810 HydrophobicContact CD1-CD1 3.71Å; I801-L810 HydrophobicContact CG1-CD1 4.03Å; A808-L810 HydrophobicContact CB-CD1 3.86Å; L810-S816 CarbonylContact C-O 3.38Å; L810-S816 VanDerWaalsContact CA-O 3.28Å; L810-S816 WeakPolarHBondContact CA-O 3.36Å |
| 811 | D | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116 | 165.9 | -155.4 | -40.1 | 0 | 0 | 0 | 108.6 | L798 F813 D814 R815 S816 I818 R1051 | L798-D811 HydrophobicContact CD2-CB 4.27Å; D811-F813 VanDerWaalsContact C-N 3.32Å; D811-F813 WeakPolarHBondContact OD1-CB 3.14Å; D811-F813 PolarHBondContact OD1-N 3.11Å; D811-D814 HydrophobicContact CB-CB 4.15Å; D811-D814 PolarHBondContact OD1-N 2.88Å; D811-R815 CarbonylContact O-C 3.52Å; D811-R815 WeakPolarHBondContact O-CA 3.36Å; D811-R815 PolarHBondContact O-N 3.04Å; D811-S816 PolarHBondContact N-O 3.28Å; D811-S816 PolarHBondContact O-N 2.9Å; D811-I818 HydrophobicContact CB-CD1 3.83Å; D811-I818 HydrophobicContact CB-CG1 4.05Å; D811-R1051 IonicContact OD1-CZ 3.97Å; D811-R1051 IonicContact OD1-NH1 2.62Å; D811-R1051 PolarHBondContact OD1-NH1 2.85Å; D811-R1051 IonicContact OD1-NH2 3.3Å; D811-R1051 IonicContact OD2-CZ 3.74Å; D811-R1051 IonicContact OD2-NH1 3.54Å; D811-R1051 PolarHBondContact OD2-NH1 3.48Å; D811-R1051 IonicContact OD2-NH2 2.7Å; D811-R1051 PolarHBondContact OD2-NH2 2.76Å |
| 812 | L | 87.8 | Confident | 91.9 | Very high | 21 Ų | 21 | 28.3 Ų | 28.3 | 11% | 0.11 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -22.2 | 175.3 | -62.5 | -178.7 | 0 | 0 | 0 | 112.1 | L711 Q777 L792 N797 L799 | L711-L812 HydrophobicContact CD2-CD1 3.61Å; L711-L812 HydrophobicContact CD2-CD2 4.32Å; Q777-L812 HydrophobicContact CG-CD2 4.13Å; L792-L812 HydrophobicContact CD1-CD1 3.47Å; L792-L812 VanDerWaalsContact CD1-CD1 3.47Å; N797-L812 HydrophobicContact CB-CB 4.44Å; N797-L812 WeakPolarHBondContact O-CB 3.11Å; N797-L812 PolarHBondContact O-N 2.89Å; L799-L812 HydrophobicContact CB-CD1 4.11Å; L799-L812 HydrophobicContact CB-CD2 3.86Å; L799-L812 HydrophobicContact CB-CG 3.94Å; L799-L812 HydrophobicContact CD2-CD2 4.13Å |
| 813 | F | 81 | Confident | 91.4 | Very high | 86 Ų | 86 | 29.2 Ų | 29.2 | 38% | 0.377 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -51.5 | 178 | -178.3 | -104.4 | 0 | 0 | 0 | 110.6 | N797 D811 R815 | N797-F813 HydrophobicContact CB-CB 4.14Å; D811-F813 VanDerWaalsContact C-N 3.32Å; D811-F813 WeakPolarHBondContact OD1-CB 3.14Å; D811-F813 PolarHBondContact OD1-N 3.11Å; F813-R815 VanDerWaalsContact C-N 3.26Å; F813-R815 PolarHBondContact O-N 2.8Å |
| 814 | D | 84.2 | Confident | 90.5 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 38% | 0.38 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -0.1 | 176.2 | -68.5 | -27.1 | 0 | 0 | 0 | 113.2 | D811 S816 R1051 | D811-D814 HydrophobicContact CB-CB 4.15Å; D811-D814 PolarHBondContact OD1-N 2.88Å; D814-S816 PolarHBondContact O-N 3.15Å; D814-R1051 IonicContact OD2-NH2 3.6Å |
| 815 | R | 88.2 | Confident | 89.3 | Confident | 83 Ų | 83 | 34.7 Ų | 34.7 | 31% | 0.313 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 42.5 | -172.7 | -61.2 | -174.3 | -174.5 | -106.6 | 7.8 | 113.2 | I735 C776 D811 F813 | I735-R815 HydrophobicContact CD1-CB 4.23Å; I735-R815 WeakPolarHBondContact CD1-O 3.2Å; C776-R815 PolarHBondContact O-NH1 3.27Å; D811-R815 CarbonylContact O-C 3.52Å; D811-R815 WeakPolarHBondContact O-CA 3.36Å; D811-R815 PolarHBondContact O-N 3.04Å; F813-R815 VanDerWaalsContact C-N 3.26Å; F813-R815 PolarHBondContact O-N 2.8Å |
| 816 | S | 91.2 | Very high | 87.5 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 163.8 | -168 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | L810 D811 D814 | L810-S816 CarbonylContact C-O 3.38Å; L810-S816 VanDerWaalsContact CA-O 3.28Å; L810-S816 WeakPolarHBondContact CA-O 3.36Å; D811-S816 PolarHBondContact N-O 3.28Å; D811-S816 PolarHBondContact O-N 2.9Å; D814-S816 PolarHBondContact O-N 3.15Å |
| 817 | I | 94.4 | Very high | 85.3 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 114.9 | 178 | -55.8 | 166.3 | 0 | 0 | 0 | 108.2 | I735 C736 V737 A820 | I735-I817 HydrophobicContact CG2-CD1 4.08Å; I735-I817 HydrophobicContact CG2-CG1 3.84Å; C736-I817 WeakPolarHBondContact O-CD1 3.5Å; V737-I817 HydrophobicContact CB-CD1 4.17Å; V737-I817 HydrophobicContact CG1-CD1 4.14Å; V737-I817 HydrophobicContact CG1-CG2 4.44Å; V737-I817 HydrophobicContact CG2-CD1 3.87Å; V737-I817 HydrophobicContact CG2-CG1 4.05Å; I817-A820 HydrophobicContact CG2-CB 4.42Å |
| 818 | I | 94.2 | Very high | 82.9 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -40.8 | 176.4 | -62.2 | 158.4 | 0 | 0 | 0 | 109.9 | L798 L809 D811 V1014 A1016 | L798-I818 HydrophobicContact CD1-CD1 4.49Å; L798-I818 HydrophobicContact CD2-CD1 3.47Å; L798-I818 VanDerWaalsContact CD2-CD1 3.47Å; L809-I818 HydrophobicContact CD2-CB 4.13Å; L809-I818 HydrophobicContact CD2-CD1 4.23Å; L809-I818 HydrophobicContact CD2-CG2 3.87Å; L809-I818 HydrophobicContact CG-CB 4.11Å; L809-I818 HydrophobicContact CG-CD1 3.99Å; L809-I818 HydrophobicContact CG-CG2 4.41Å; L809-I818 PolarHBondContact O-N 3.48Å; D811-I818 HydrophobicContact CB-CD1 3.83Å; D811-I818 HydrophobicContact CB-CG1 4.05Å; I818-V1014 HydrophobicContact CD1-CB 3.69Å; I818-V1014 HydrophobicContact CD1-CG1 3.91Å; I818-V1014 HydrophobicContact CD1-CG2 4.38Å; I818-V1014 HydrophobicContact CG1-CB 4.14Å; I818-V1014 HydrophobicContact CG2-CB 4.47Å; I818-V1014 HydrophobicContact CG2-CG1 4.24Å; I818-A1016 HydrophobicContact CG2-CB 3.94Å |
| 819 | H | 93.6 | Very high | 80.2 | Confident | 50 Ų | 50 | 47 Ų | 47 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 142.4 | -178.5 | -163.4 | 56.5 | 0 | 0 | 0 | 110.6 | F807 A808 L809 H821 F1003 A1016 | F807-H819 AromaticContact CZ-CD2 3.81Å; A808-H819 CarbonylContact C-O 3.48Å; A808-H819 WeakPolarHBondContact CA-O 3.36Å; L809-H819 HydrophobicContact CB-CB 4.22Å; L809-H819 PolarHBondContact N-O 3.24Å; L809-H819 PolarHBondContact O-N 3.23Å; H819-H821 AromaticContact NE2-CD2 3.66Å; H819-F1003 AromaticContact CD2-CE1 3.71Å; H819-F1003 AromaticContact NE2-CE1 3.33Å; H819-F1003 VanDerWaalsContact NE2-CE1 3.33Å; H819-F1003 WeakPolarHBondContact NE2-CE1 3.17Å; H819-F1003 AromaticContact NE2-CZ 3.76Å; H819-A1016 HydrophobicContact CB-CB 4.29Å |
| 820 | A | 93.1 | Very high | 77.4 | Confident | 30 Ų | 30 | 50 Ų | 50 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | V737 N738 L739 I817 | V737-A820 HydrophobicContact CG1-CB 4.08Å; N738-A820 VanDerWaalsContact O-CB 3.32Å; N738-A820 WeakPolarHBondContact O-CB 3.47Å; L739-A820 HydrophobicContact CD2-CB 4.34Å; I817-A820 HydrophobicContact CG2-CB 4.42Å |
| 821 | H | 88.7 | Confident | 74.7 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 113.1 | -171.2 | -174.9 | -59.5 | 0 | 0 | 0 | 111.1 | G806 F807 H819 T823 F1003 | G806-H821 WeakPolarHBondContact CA-O 3.35Å; F807-H821 HydrophobicContact CD1-CB 3.91Å; F807-H821 HydrophobicContact CE1-CB 3.49Å; F807-H821 VanDerWaalsContact CE1-CB 3.49Å; F807-H821 AromaticContact CE1-CG 3.78Å; F807-H821 HydrophobicContact CZ-CB 4.05Å; F807-H821 PolarHBondContact N-O 3.17Å; F807-H821 VanDerWaalsContact N-O 3.14Å; F807-H821 PolarHBondContact O-N 2.79Å; H819-H821 AromaticContact NE2-CD2 3.66Å; H821-T823 PolarHBondContact O-N 3.35Å; H821-F1003 AromaticContact CD2-CZ 3.99Å |
| 822 | F | 87.9 | Confident | 72 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 118.9 | 169.7 | -162.4 | -144.4 | 0 | 0 | 0 | 109.2 | L739 I740 Y748 H805 Y824 L962 | L739-F822 VanDerWaalsContact O-CB 3.3Å; L739-F822 WeakPolarHBondContact O-CB 3.36Å; L739-F822 PolarHBondContact O-N 2.87Å; I740-F822 HydrophobicContact CG1-CE2 4.48Å; Y748-F822 HydrophobicContact CD2-CZ 4.43Å; H805-F822 HydrophobicContact CB-CD2 4.39Å; H805-F822 HydrophobicContact CB-CE2 4.17Å; H805-F822 WeakPolarHBondContact O-CD2 3.38Å; F822-Y824 VanDerWaalsContact C-N 3.33Å; F822-Y824 AromaticContact CE1-CD1 3.97Å; F822-Y824 HydrophobicContact CE1-CD1 3.97Å; F822-Y824 HydrophobicContact CE1-CG 4.21Å; F822-Y824 HydrophobicContact CZ-CD1 4.29Å; F822-Y824 HydrophobicContact CZ-CG 4.22Å; F822-L962 HydrophobicContact CE2-CD1 4.47Å; F822-L962 HydrophobicContact CZ-CD1 4.23Å |
| 823 | T | 86.1 | Confident | 69.7 | Low | 20 Ų | 20 | 66.2 Ų | 66.2 | 12% | 0.123 | 37% | 0.368 | C | S | . | . | trans | -93.1 | 7.8 | -177 | 47.9 | 0 | 0 | 0 | 0 | 113.3 | H805 G806 F807 H821 D825 S970 V972 | H805-T823 PolarHBondContact O-N 2.96Å; H805-T823 PolarHBondContact O-OG1 2.78Å; G806-T823 WeakPolarHBondContact CA-OG1 3.3Å; G806-T823 PolarHBondContact N-OG1 2.82Å; F807-T823 HydrophobicContact CD1-CG2 4.31Å; H821-T823 PolarHBondContact O-N 3.35Å; T823-D825 PolarHBondContact O-N 3.5Å; T823-S970 WeakPolarHBondContact CB-O 3.44Å; T823-S970 PolarHBondContact OG1-O 3.06Å; T823-V972 HydrophobicContact CG2-CG2 3.85Å | ||
| 824 | Y | 77.9 | Confident | 67.6 | Low | 67 Ų | 67 | 67 Ų | 67 | 26% | 0.263 | 38% | 0.375 | S | S | . | . | trans | -73.7 | 113.6 | 174.6 | 179.2 | -114.1 | 0 | 0 | 0 | 111.8 | F822 L962 D966 | F822-Y824 VanDerWaalsContact C-N 3.33Å; F822-Y824 AromaticContact CE1-CD1 3.97Å; F822-Y824 HydrophobicContact CE1-CD1 3.97Å; F822-Y824 HydrophobicContact CE1-CG 4.21Å; F822-Y824 HydrophobicContact CZ-CD1 4.29Å; F822-Y824 HydrophobicContact CZ-CG 4.22Å; Y824-L962 HydrophobicContact CD1-CD2 3.72Å; Y824-L962 HydrophobicContact CD2-CD2 3.59Å; Y824-L962 HydrophobicContact CE1-CD2 3.72Å; Y824-L962 HydrophobicContact CE2-CD2 3.62Å; Y824-L962 HydrophobicContact CG-CD2 3.64Å; Y824-D966 HydrophobicContact CD2-CB 4.19Å; Y824-D966 HydrophobicContact CE2-CB 3.71Å; Y824-D966 WeakPolarHBondContact CE2-OD1 3.36Å | ||
| 825 | D | 66.3 | Low | 65.4 | Low | 62 Ų | 62 | 65.7 Ų | 65.7 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | trans | -94.2 | 101.5 | 177.6 | -168.2 | -28.1 | 0 | 0 | 0 | 110.5 | T823 S827 G828 K999 | T823-D825 PolarHBondContact O-N 3.5Å; D825-S827 PolarHBondContact O-N 2.74Å; D825-S827 WeakPolarHBondContact OD1-CA 3.17Å; D825-S827 VanDerWaalsContact OD1-CB 3.26Å; D825-S827 WeakPolarHBondContact OD1-CB 3.21Å; D825-S827 PolarHBondContact OD1-N 2.98Å; D825-S827 PolarHBondContact OD1-OG 2.79Å; D825-G828 PolarHBondContact O-N 2.95Å; D825-K999 IonicContact OD2-NZ 2.87Å; D825-K999 PolarHBondContact OD2-NZ 2.89Å | ||
| 826 | S | 52.4 | Low | 63.2 | Low | 82 Ų | 82 | 65.8 Ų | 65.8 | 57% | 0.573 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 3.1 | 178.7 | 67 | 0 | 0 | 0 | 0 | 114.5 | K831 | S826-K831 PolarHBondContact O-NZ 2.88Š|
| 827 | S | 45.6 | Very low | 60.9 | Low | 77 Ų | 77 | 65.3 Ų | 65.3 | 54% | 0.538 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 0.5 | 165.9 | 80.7 | 0 | 0 | 0 | 0 | 113.7 | D825 | D825-S827 PolarHBondContact O-N 2.74Å; D825-S827 WeakPolarHBondContact OD1-CA 3.17Å; D825-S827 VanDerWaalsContact OD1-CB 3.26Å; D825-S827 WeakPolarHBondContact OD1-CB 3.21Å; D825-S827 PolarHBondContact OD1-N 2.98Å; D825-S827 PolarHBondContact OD1-OG 2.79Å |
| 828 | G | 45.3 | Very low | 58.4 | Low | 24 Ų | 24 | 65.6 Ų | 65.6 | 25% | 0.247 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -56.7 | 178.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | D825 A830 K831 | D825-G828 PolarHBondContact O-N 2.95Å; G828-A830 PolarHBondContact O-N 3.32Å; G828-K831 PolarHBondContact O-N 3.21Å |
| 829 | P | 41.8 | Very low | 56.3 | Low | 79 Ų | 79 | 68 Ų | 68 | 51% | 0.513 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -14.8 | -158.6 | 23.5 | -34.3 | 0 | 0 | 0 | 115.4 | K831 M832 V833 | P829-K831 PolarHBondContact O-N 3.28Å; P829-M832 CarbonylContact O-C 3.55Å; P829-M832 PolarHBondContact O-N 3.21Å; P829-V833 WeakPolarHBondContact O-CG2 3.5Å; P829-V833 PolarHBondContact O-N 3.42Å |
| 830 | A | 38.4 | Very low | 54 | Low | 64 Ų | 64 | 70.7 Ų | 70.7 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -52.5 | -37.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G828 N834 | G828-A830 PolarHBondContact O-N 3.32Å; A830-N834 WeakPolarHBondContact O-CB 3.38Å; A830-N834 PolarHBondContact O-N 2.81Å; A830-N834 PolarHBondContact O-ND2 2.66Å |
| 831 | K | 38.5 | Very low | 51.7 | Low | 133 Ų | 133 | 74.4 Ų | 74.4 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -76.3 | -27.7 | 172.7 | -81.4 | 171.8 | -175.6 | 151.1 | 0 | 113.2 | S826 G828 P829 A835 | S826-K831 PolarHBondContact O-NZ 2.88Å; G828-K831 PolarHBondContact O-N 3.21Å; P829-K831 PolarHBondContact O-N 3.28Å; K831-A835 WeakPolarHBondContact O-CA 3.24Å; K831-A835 WeakPolarHBondContact O-CB 3.49Å; K831-A835 PolarHBondContact O-N 3.22Å |
| 832 | M | 35.2 | Very low | 49.8 | Very low | 131 Ų | 131 | 74.5 Ų | 74.5 | 65% | 0.645 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -81.8 | -37 | 177.4 | -161.6 | 176 | 74.3 | 0 | 0 | 112.7 | P829 A835 V836 | P829-M832 CarbonylContact O-C 3.55Å; P829-M832 PolarHBondContact O-N 3.21Å; M832-A835 PolarHBondContact O-N 2.8Å; M832-V836 WeakPolarHBondContact O-CB 3.48Å; M832-V836 WeakPolarHBondContact O-CG2 3.47Å; M832-V836 PolarHBondContact O-N 3.21Å |
| 833 | V | 40.3 | Very low | 48 | Very low | 97 Ų | 97 | 78.3 Ų | 78.3 | 59% | 0.588 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.7 | -41.4 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | P829 A835 V836 A837 | P829-V833 WeakPolarHBondContact O-CG2 3.5Å; P829-V833 PolarHBondContact O-N 3.42Å; V833-A835 VanDerWaalsContact C-N 3.35Å; V833-V836 PolarHBondContact O-N 2.81Å; V833-A837 WeakPolarHBondContact O-CB 3.2Å; V833-A837 PolarHBondContact O-N 2.93Å |
| 834 | N | 36.5 | Very low | 46.3 | Very low | 101 Ų | 101 | 81.7 Ų | 81.7 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.2 | -26.9 | 170 | -77.5 | -52.4 | 0 | 0 | 0 | 113.2 | A830 T838 | A830-N834 WeakPolarHBondContact O-CB 3.38Å; A830-N834 PolarHBondContact O-N 2.81Å; A830-N834 PolarHBondContact O-ND2 2.66Å; N834-T838 WeakPolarHBondContact O-CA 3.37Å; N834-T838 WeakPolarHBondContact O-CB 3.49Å; N834-T838 PolarHBondContact O-N 2.86Å; N834-T838 PolarHBondContact O-OG1 2.86Å |
| 835 | A | 38.3 | Very low | 44.9 | Very low | 45 Ų | 45 | 81 Ų | 81 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.8 | -43.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K831 M832 V833 T838 V839 | K831-A835 WeakPolarHBondContact O-CA 3.24Å; K831-A835 WeakPolarHBondContact O-CB 3.49Å; K831-A835 PolarHBondContact O-N 3.22Å; M832-A835 PolarHBondContact O-N 2.8Å; V833-A835 VanDerWaalsContact C-N 3.35Å; A835-T838 PolarHBondContact O-N 3.35Å; A835-V839 WeakPolarHBondContact O-CB 3.09Å; A835-V839 WeakPolarHBondContact O-CG2 3.49Å; A835-V839 PolarHBondContact O-N 2.84Å |
| 836 | V | 42.6 | Very low | 43.8 | Very low | 85 Ų | 85 | 86.3 Ų | 86.3 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 175 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | M832 V833 V839 Q840 | M832-V836 WeakPolarHBondContact O-CB 3.48Å; M832-V836 WeakPolarHBondContact O-CG2 3.47Å; M832-V836 PolarHBondContact O-N 3.21Å; V833-V836 PolarHBondContact O-N 2.81Å; V836-V839 PolarHBondContact O-N 3.34Å; V836-Q840 WeakPolarHBondContact O-CA 3.36Å; V836-Q840 WeakPolarHBondContact O-CB 3.13Å; V836-Q840 PolarHBondContact O-N 3.17Å |
| 837 | A | 41.8 | Very low | 43.3 | Very low | 35 Ų | 35 | 84.1 Ų | 84.1 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.5 | -35.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V833 N841 | V833-A837 WeakPolarHBondContact O-CB 3.2Å; V833-A837 PolarHBondContact O-N 2.93Å; A837-N841 WeakPolarHBondContact O-CB 3.43Å; A837-N841 PolarHBondContact O-N 2.88Å; A837-N841 PolarHBondContact O-ND2 3.14Å; A837-N841 VanDerWaalsContact O-ND2 3.09Å |
| 838 | T | 41.7 | Very low | 43.1 | Very low | 79 Ų | 79 | 89.3 Ų | 89.3 | 49% | 0.485 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.9 | -39.8 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | N834 A835 N841 V842 | N834-T838 WeakPolarHBondContact O-CA 3.37Å; N834-T838 WeakPolarHBondContact O-CB 3.49Å; N834-T838 PolarHBondContact O-N 2.86Å; N834-T838 PolarHBondContact O-OG1 2.86Å; A835-T838 PolarHBondContact O-N 3.35Å; T838-N841 PolarHBondContact O-N 2.96Å; T838-V842 HydrophobicContact CG2-CG2 4.14Å; T838-V842 WeakPolarHBondContact O-CA 3.37Å; T838-V842 WeakPolarHBondContact O-CB 3.5Å; T838-V842 WeakPolarHBondContact O-CG2 3.39Å; T838-V842 PolarHBondContact O-N 3.24Å |
| 839 | V | 49.6 | Very low | 43 | Very low | 85 Ų | 85 | 94.3 Ų | 94.3 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 172.9 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | A835 V836 V842 I843 | A835-V839 WeakPolarHBondContact O-CB 3.09Å; A835-V839 WeakPolarHBondContact O-CG2 3.49Å; A835-V839 PolarHBondContact O-N 2.84Å; V836-V839 PolarHBondContact O-N 3.34Å; V839-V842 PolarHBondContact O-N 3.08Å; V839-I843 HydrophobicContact CG1-CD1 3.6Å; V839-I843 HydrophobicContact CG1-CG1 4.3Å; V839-I843 WeakPolarHBondContact O-CB 3.21Å; V839-I843 WeakPolarHBondContact O-CG1 3.49Å; V839-I843 PolarHBondContact O-N 3.47Å |
| 840 | Q | 45 | Very low | 42.9 | Very low | 106 Ų | 106 | 95.7 Ų | 95.7 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.9 | -37.4 | 176.6 | -171.4 | 164.2 | -17.2 | 0 | 0 | 111.8 | V836 M844 | V836-Q840 WeakPolarHBondContact O-CA 3.36Å; V836-Q840 WeakPolarHBondContact O-CB 3.13Å; V836-Q840 PolarHBondContact O-N 3.17Å; Q840-M844 HydrophobicContact CG-CE 4.19Å; Q840-M844 VanDerWaalsContact O-CB 3.27Å; Q840-M844 WeakPolarHBondContact O-CB 3.21Å; Q840-M844 VanDerWaalsContact O-CG 3.26Å; Q840-M844 WeakPolarHBondContact O-CG 3.5Å; Q840-M844 PolarHBondContact O-N 2.9Å |
| 841 | N | 45.7 | Very low | 42.9 | Very low | 107 Ų | 107 | 97.7 Ų | 97.7 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -71.3 | -33 | 171.5 | -76.5 | -33.6 | 0 | 0 | 0 | 112.3 | A837 T838 A845 | A837-N841 WeakPolarHBondContact O-CB 3.43Å; A837-N841 PolarHBondContact O-N 2.88Å; A837-N841 PolarHBondContact O-ND2 3.14Å; A837-N841 VanDerWaalsContact O-ND2 3.09Å; T838-N841 PolarHBondContact O-N 2.96Å; N841-A845 WeakPolarHBondContact O-CA 3.26Å; N841-A845 WeakPolarHBondContact O-CB 3.43Å; N841-A845 PolarHBondContact O-N 3.17Å |
| 842 | V | 49 | Very low | 42.9 | Very low | 54 Ų | 54 | 94.6 Ų | 94.6 | 33% | 0.327 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.8 | -36.6 | 173.6 | 166.1 | 0 | 0 | 0 | 0 | 110.8 | T838 V839 R846 | T838-V842 HydrophobicContact CG2-CG2 4.14Å; T838-V842 WeakPolarHBondContact O-CA 3.37Å; T838-V842 WeakPolarHBondContact O-CB 3.5Å; T838-V842 WeakPolarHBondContact O-CG2 3.39Å; T838-V842 PolarHBondContact O-N 3.24Å; V839-V842 PolarHBondContact O-N 3.08Å; V842-R846 HydrophobicContact CG1-CG 4.25Å; V842-R846 WeakPolarHBondContact O-CB 3.48Å; V842-R846 WeakPolarHBondContact O-CG 3.47Å; V842-R846 PolarHBondContact O-N 3.38Å |
| 843 | I | 50.7 | Low | 43.1 | Very low | 112 Ų | 112 | 92 Ų | 92 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.4 | -41.5 | 171.9 | -73.8 | 169 | 0 | 0 | 0 | 110.2 | V839 G847 | V839-I843 HydrophobicContact CG1-CD1 3.6Å; V839-I843 HydrophobicContact CG1-CG1 4.3Å; V839-I843 WeakPolarHBondContact O-CB 3.21Å; V839-I843 WeakPolarHBondContact O-CG1 3.49Å; V839-I843 PolarHBondContact O-N 3.47Å; I843-G847 WeakPolarHBondContact O-CA 3.36Å; I843-G847 PolarHBondContact O-N 3.48Å |
| 844 | M | 50.6 | Low | 43 | Very low | 91 Ų | 91 | 93 Ų | 93 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | 175.1 | -73.2 | -167.5 | -176.2 | 0 | 0 | 112.7 | Q840 R848 | Q840-M844 HydrophobicContact CG-CE 4.19Å; Q840-M844 VanDerWaalsContact O-CB 3.27Å; Q840-M844 WeakPolarHBondContact O-CB 3.21Å; Q840-M844 VanDerWaalsContact O-CG 3.26Å; Q840-M844 WeakPolarHBondContact O-CG 3.5Å; Q840-M844 PolarHBondContact O-N 2.9Å; M844-R848 VanDerWaalsContact O-CB 3.28Å; M844-R848 WeakPolarHBondContact O-CB 3.44Å; M844-R848 WeakPolarHBondContact O-CG 3.18Å; M844-R848 PolarHBondContact O-N 3.21Å |
| 845 | A | 46.6 | Very low | 43.2 | Very low | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.5 | -47.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | N841 G847 R848 Q849 | N841-A845 WeakPolarHBondContact O-CA 3.26Å; N841-A845 WeakPolarHBondContact O-CB 3.43Å; N841-A845 PolarHBondContact O-N 3.17Å; A845-G847 VanDerWaalsContact C-N 3.33Å; A845-G847 PolarHBondContact O-N 2.95Å; A845-R848 PolarHBondContact O-N 3.14Å; A845-Q849 WeakPolarHBondContact O-CB 3.38Å; A845-Q849 WeakPolarHBondContact O-CG 3.49Å; A845-Q849 PolarHBondContact O-N 2.53Å |
| 846 | R | 43.4 | Very low | 43.3 | Very low | 173 Ų | 173 | 104.4 Ų | 104.4 | 65% | 0.653 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 174.4 | -70.8 | 174.9 | 178.1 | -179.2 | 0.5 | 111.3 | V842 Q849 L850 | V842-R846 HydrophobicContact CG1-CG 4.25Å; V842-R846 WeakPolarHBondContact O-CB 3.48Å; V842-R846 WeakPolarHBondContact O-CG 3.47Å; V842-R846 PolarHBondContact O-N 3.38Å; R846-Q849 CarbonylContact O-C 3.58Å; R846-Q849 PolarHBondContact O-N 3.11Å; R846-L850 PolarHBondContact O-N 3.42Å |
| 847 | G | 42 | Very low | 42.9 | Very low | 36 Ų | 36 | 103.8 Ų | 103.8 | 37% | 0.371 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I843 A845 Q849 L850 T851 | I843-G847 WeakPolarHBondContact O-CA 3.36Å; I843-G847 PolarHBondContact O-N 3.48Å; A845-G847 VanDerWaalsContact C-N 3.33Å; A845-G847 PolarHBondContact O-N 2.95Å; G847-Q849 VanDerWaalsContact C-N 3.34Å; G847-L850 PolarHBondContact O-N 3.45Å; G847-T851 PolarHBondContact O-N 3.33Å; G847-T851 PolarHBondContact O-OG1 2.95Å |
| 848 | R | 41.9 | Very low | 42.8 | Very low | 187 Ų | 187 | 110.5 Ų | 110.5 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.2 | -22.7 | 173.2 | -70 | 173.5 | -175.4 | -167.6 | 3.4 | 112.7 | M844 A845 T851 S852 | M844-R848 VanDerWaalsContact O-CB 3.28Å; M844-R848 WeakPolarHBondContact O-CB 3.44Å; M844-R848 WeakPolarHBondContact O-CG 3.18Å; M844-R848 PolarHBondContact O-N 3.21Å; A845-R848 PolarHBondContact O-N 3.14Å; R848-T851 PolarHBondContact O-OG1 2.87Å; R848-S852 PolarHBondContact O-OG 2.98Å |
| 849 | Q | 43.7 | Very low | 42.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 60% | 0.603 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -81.4 | -33.2 | 168.7 | -73.6 | -172.8 | -5 | 0 | 0 | 113.5 | A845 R846 G847 T851 S852 T853 | A845-Q849 WeakPolarHBondContact O-CB 3.38Å; A845-Q849 WeakPolarHBondContact O-CG 3.49Å; A845-Q849 PolarHBondContact O-N 2.53Å; R846-Q849 CarbonylContact O-C 3.58Å; R846-Q849 PolarHBondContact O-N 3.11Å; G847-Q849 VanDerWaalsContact C-N 3.34Å; Q849-T851 VanDerWaalsContact C-N 3.35Å; Q849-T851 PolarHBondContact O-N 3.01Å; Q849-S852 WeakPolarHBondContact CA-OG 3.29Å; Q849-S852 PolarHBondContact O-N 3.15Å; Q849-S852 PolarHBondContact O-OG 3.44Å; Q849-S852 VanDerWaalsContact O-OG 3.11Å; Q849-T853 WeakPolarHBondContact O-CB 3.43Å; Q849-T853 VanDerWaalsContact O-CG2 3.31Å; Q849-T853 WeakPolarHBondContact O-CG2 3.44Å; Q849-T853 PolarHBondContact O-N 2.97Å; Q849-T853 PolarHBondContact O-OG1 3.49Å |
| 850 | L | 39.4 | Very low | 42.3 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 57% | 0.565 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.5 | -43.1 | 178.4 | -126.2 | 76.4 | 0 | 0 | 0 | 112 | R846 G847 T853 M854 | R846-L850 PolarHBondContact O-N 3.42Å; G847-L850 PolarHBondContact O-N 3.45Å; L850-T853 PolarHBondContact O-OG1 2.99Å; L850-M854 WeakPolarHBondContact O-CB 3.28Å; L850-M854 PolarHBondContact O-N 3.22Å |
| 851 | T | 38.2 | Very low | 41.6 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.1 | -23.9 | -177.4 | 46.2 | 0 | 0 | 0 | 0 | 113.9 | G847 R848 Q849 | G847-T851 PolarHBondContact O-N 3.33Å; G847-T851 PolarHBondContact O-OG1 2.95Å; R848-T851 PolarHBondContact O-OG1 2.87Å; Q849-T851 VanDerWaalsContact C-N 3.35Å; Q849-T851 PolarHBondContact O-N 3.01Å |
| 852 | S | 39.7 | Very low | 41 | Very low | 69 Ų | 69 | 130.9 Ų | 130.9 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -87.4 | -40.8 | 173.7 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | R848 Q849 | R848-S852 PolarHBondContact O-OG 2.98Å; Q849-S852 WeakPolarHBondContact CA-OG 3.29Å; Q849-S852 PolarHBondContact O-N 3.15Å; Q849-S852 PolarHBondContact O-OG 3.44Å; Q849-S852 VanDerWaalsContact O-OG 3.11Å |
| 853 | T | 38.5 | Very low | 40.4 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 46% | 0.46 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72 | -35.1 | 179 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | Q849 L850 R855 Q856 S857 | Q849-T853 WeakPolarHBondContact O-CB 3.43Å; Q849-T853 VanDerWaalsContact O-CG2 3.31Å; Q849-T853 WeakPolarHBondContact O-CG2 3.44Å; Q849-T853 PolarHBondContact O-N 2.97Å; Q849-T853 PolarHBondContact O-OG1 3.49Å; L850-T853 PolarHBondContact O-OG1 2.99Å; T853-R855 PolarHBondContact O-N 3.44Å; T853-Q856 PolarHBondContact O-N 3.1Å; T853-S857 PolarHBondContact O-N 2.86Å |
| 854 | M | 37.6 | Very low | 39.4 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 59% | 0.591 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -65.4 | -24.3 | 179.5 | -171 | 176.2 | -73.2 | 0 | 0 | 113.4 | L850 Q856 S857 | L850-M854 WeakPolarHBondContact O-CB 3.28Å; L850-M854 PolarHBondContact O-N 3.22Å; M854-Q856 VanDerWaalsContact C-N 3.32Å; M854-S857 PolarHBondContact O-OG 3.26Å |
| 855 | R | 41.8 | Very low | 38.6 | Very low | 234 Ų | 234 | 147.4 Ų | 147.4 | 88% | 0.883 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.6 | -6.6 | 170.4 | -78.8 | -170.4 | 174.1 | -131.3 | -0.7 | 114.1 | T853 | T853-R855 PolarHBondContact O-N 3.44Å |
| 856 | Q | 39.2 | Very low | 37.8 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -110.8 | -25.4 | -176.4 | -146.6 | 172.4 | 19.1 | 0 | 0 | 113.4 | T853 M854 F858 R859 | T853-Q856 PolarHBondContact O-N 3.1Å; M854-Q856 VanDerWaalsContact C-N 3.32Å; Q856-F858 PolarHBondContact O-N 2.93Å; Q856-R859 PolarHBondContact O-N 2.68Å |
| 857 | S | 34 | Very low | 37.4 | Very low | 73 Ų | 73 | 148.8 Ų | 148.8 | 51% | 0.51 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -62.3 | -39.3 | 179.5 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | T853 M854 R859 R860 | T853-S857 PolarHBondContact O-N 2.86Å; M854-S857 PolarHBondContact O-OG 3.26Å; S857-R859 PolarHBondContact O-N 2.88Å; S857-R860 PolarHBondContact O-N 2.57Å |
| 858 | F | 39.7 | Very low | 36.8 | Very low | 176 Ų | 176 | 153.7 Ų | 153.7 | 77% | 0.772 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -0.7 | -178.9 | -79.1 | -76.9 | 0 | 0 | 0 | 115.7 | Q856 | Q856-F858 PolarHBondContact O-N 2.93Š|
| 859 | R | 44.7 | Very low | 36.3 | Very low | 235 Ų | 235 | 149.5 Ų | 149.5 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 4.4 | 176.2 | -77 | -171 | 173 | -174.2 | -0.8 | 115.5 | Q856 S857 | Q856-R859 PolarHBondContact O-N 2.68Å; S857-R859 PolarHBondContact O-N 2.88Å |
| 860 | R | 37.1 | Very low | 35.5 | Very low | 227 Ų | 227 | 148.7 Ų | 148.7 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -124 | 33.7 | 179.6 | -73.3 | -171.6 | 172.9 | 167.6 | -1.4 | 115.2 | S857 K862 | S857-R860 PolarHBondContact O-N 2.57Å; R860-K862 PolarHBondContact O-N 3.42Å | ||
| 861 | L | 30.6 | Very low | 35 | Very low | 165 Ų | 165 | 148.7 Ų | 148.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -80.9 | 63.9 | 169.4 | -134.2 | 159.8 | 0 | 0 | 0 | 110.9 | ||||
| 862 | K | 32.1 | Very low | 34.5 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | trans | -158.9 | 131.1 | 170 | -119.4 | 176.3 | -175.2 | 178.3 | 0 | 114.2 | R860 | R860-K862 PolarHBondContact O-N 3.42Š| ||
| 863 | H | 36.8 | Very low | 34 | Very low | 175 Ų | 175 | 154.7 Ų | 154.7 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | 69.9 | 118.6 | 170.3 | -64.8 | -72.9 | 0 | 0 | 0 | 119.4 | ||||
| 864 | F | 30.8 | Very low | 33.5 | Very low | 196 Ų | 196 | 157.4 Ų | 157.4 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -91.1 | 168.9 | 175.4 | -122.3 | -88.3 | 0 | 0 | 0 | 111.1 | ||||
| 865 | R | 32.6 | Very low | 33 | Very low | 233 Ų | 233 | 156.7 Ų | 156.7 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 72.8 | 121.3 | 161.8 | -67 | 174 | 179.5 | 171 | -0.9 | 118.5 | ||||
| 866 | T | 30 | Very low | 32.5 | Very low | 145 Ų | 145 | 151.3 Ų | 151.3 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -110.9 | 156.3 | 138.1 | 47.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 867 | S | 34.6 | Very low | 32 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -143.2 | 103.1 | 170.6 | 57.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 868 | T | 29.1 | Very low | 32.1 | Very low | 140 Ų | 140 | 153.6 Ų | 153.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | trans | 10.9 | 121 | 151.1 | 53.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 869 | A | 31.5 | Very low | 31.7 | Very low | 99 Ų | 99 | 150.6 Ų | 150.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -161.4 | 139.4 | 132.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 870 | S | 27.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -45 | 159.1 | 159.9 | 34.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 871 | S | 28.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | cis | -174 | -168.1 | -0.6 | 47.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 872 | E | 28.6 | Very low | 31.4 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -155.5 | -109.4 | 12.4 | -155.2 | -157.5 | -158 | 0 | 0 | 114.3 | ||||
| 873 | K | 27.8 | Very low | 31.4 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | trans | -84.8 | 169 | -173.9 | -57.8 | 173.4 | -171.5 | 96.8 | 0 | 112.2 | ||||
| 874 | T | 28.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | cis | -155.1 | 172.9 | 21.5 | -27.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 875 | S | 27.4 | Very low | 31 | Very low | 104 Ų | 104 | 129.8 Ų | 129.8 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 154 | -176.5 | 50.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 876 | S | 30.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 126.2 Ų | 126.2 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | -170.2 | 140.4 | 119.5 | 17.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 877 | E | 29.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 124.6 Ų | 124.6 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -94.5 | 173.2 | 167.8 | -147.3 | -164.1 | 127.7 | 0 | 0 | 109.1 | T879 | E877-T879 PolarHBondContact OE1-N 3.23Š| ||
| 878 | P | 36.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | -154 | 135.7 | 83.4 | 36.2 | -15.2 | 0 | 0 | 0 | 118 | |||||
| 879 | T | 30.5 | Very low | 30.8 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | 63.2 | 135.1 | 122 | -35.8 | 0 | 0 | 0 | 0 | 121.3 | E877 | E877-T879 PolarHBondContact OE1-N 3.23Š| |||
| 880 | A | 33.3 | Very low | 30.6 | Very low | 84 Ų | 84 | 128.4 Ų | 128.4 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | trans | -84.6 | -172.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 881 | P | 39.5 | Very low | 30.9 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | -152.2 | 163.9 | 80.7 | 41.4 | -22.8 | 0 | 0 | 0 | 117.9 | |||||
| 882 | A | 32.8 | Very low | 31 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | 57.5 | 131.7 | 137.5 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 883 | D | 33.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 75% | 0.748 | S | S | * | * | 103.2 | 129.9 | 129.8 | -73.7 | -14.7 | 0 | 0 | 0 | 125.1 | |||||
| 884 | E | 30.5 | Very low | 31.4 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | 75.4 | 104.7 | 152.6 | -58.3 | -135.8 | 111.3 | 0 | 0 | 124.4 | ||||
| 885 | Q | 28.5 | Very low | 31.7 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | 82.7 | 127.6 | 125.2 | -63 | -169.2 | 33.8 | 0 | 0 | 124 | |||||
| 886 | Q | 27.3 | Very low | 32 | Very low | 159 Ų | 159 | 133.7 Ų | 133.7 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 56 | 98.3 | 138.7 | -64.8 | -171.3 | 9.5 | 0 | 0 | 120.3 | ||||
| 887 | T | 25.2 | Very low | 32.1 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | 81.5 | 106.5 | 75.6 | 57.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 888 | T | 32.5 | Very low | 32.2 | Very low | 131 Ų | 131 | 135.3 Ų | 135.3 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 57.2 | 148.9 | 140.9 | 69 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 889 | P | 35.7 | Very low | 31.9 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | -159.3 | 144.2 | 96.5 | 37.5 | -17.1 | 0 | 0 | 0 | 119.5 | |||||
| 890 | K | 29 | Very low | 32 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | 63.3 | 172.4 | 135.7 | -59.6 | 178 | -178.7 | 179 | 0 | 118 | ||||
| 891 | Q | 33.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 137.8 Ų | 137.8 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | cis | -145.1 | 177.8 | 19.7 | -71.5 | 175.5 | -14.7 | 0 | 0 | 112.1 | ||||
| 892 | T | 30.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | cis | -178.5 | 119.9 | -46.6 | -83.3 | 0 | 0 | 0 | 0 | 109.9 | Q894 | T892-Q894 HydrophobicContact CG2-CG 4.36Š| ||
| 893 | E | 32.4 | Very low | 31.5 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 88% | 0.883 | 77% | 0.773 | S | S | * | * | trans | -139.3 | 124.7 | 159.6 | -85.2 | 172.3 | -172.8 | 0 | 0 | 105.5 | ||||
| 894 | Q | 33.2 | Very low | 31.1 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | cis | 76.1 | 131.4 | 41.8 | -67.5 | -166.4 | -37.4 | 0 | 0 | 114 | T892 | T892-Q894 HydrophobicContact CG2-CG 4.36Š| ||
| 895 | S | 33.1 | Very low | 31.1 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -169.2 | -170.8 | -2.8 | 46.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 896 | V | 35.3 | Very low | 31 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | 89.9 | 104.1 | 174.5 | -172.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 897 | D | 31.4 | Very low | 31.1 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 75.8 | 139.7 | 69.2 | -71.5 | -48.3 | 0 | 0 | 0 | 113 | |||||
| 898 | E | 31.9 | Very low | 31.3 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -151.3 | 160 | 27 | -133.1 | 173.4 | 176.7 | 0 | 0 | 113.2 | ||||
| 899 | T | 31.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 40.2 | 127.2 | 159.2 | 55 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 900 | S | 32 | Very low | 31 | Very low | 114 Ų | 114 | 151.2 Ų | 151.2 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | 96 | 158.2 | 21.7 | -47.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 901 | P | 41.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -139.5 | -154.1 | -106.8 | 38.7 | -13.7 | 0 | 0 | 0 | 115.5 | |||||
| 902 | K | 23.4 | Very low | 31.1 | Very low | 204 Ų | 204 | 145.7 Ų | 145.7 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | -69 | 150.3 | 168.5 | -69.8 | -178.2 | 174.8 | -177.8 | 0 | 112.5 | ||||
| 903 | D | 28.8 | Very low | 31.1 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -98.1 | 145.9 | 163.8 | -102.1 | -36.9 | 0 | 0 | 0 | 112.2 | ||||
| 904 | E | 26.5 | Very low | 31.2 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | trans | -119.4 | 140 | 157 | -86.8 | -164.7 | -174.2 | 0 | 0 | 108.5 | K906 | E904-K906 WeakPolarHBondContact OE2-CE 3.49Å; E904-K906 IonicContact OE2-NZ 3.2Å | ||
| 905 | T | 29.7 | Very low | 31 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -125.5 | 132 | 163.3 | 29.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 906 | K | 26.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -122.3 | 115.2 | 179.5 | -75.1 | -179.8 | -179.8 | 165.2 | 0 | 111.7 | E904 | E904-K906 WeakPolarHBondContact OE2-CE 3.49Å; E904-K906 IonicContact OE2-NZ 3.2Å | ||
| 907 | E | 29.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 144.4 Ų | 144.4 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -154.2 | 146.8 | 156.4 | -82.9 | -150.3 | 137.5 | 0 | 0 | 106.8 | ||||
| 908 | K | 29.5 | Very low | 30.5 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | cis | -157 | 163.1 | -3.2 | -134.4 | 168.3 | -175.6 | 147.8 | 0 | 110 | ||||
| 909 | D | 30.1 | Very low | 30.3 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -79.7 | 141.3 | -178.8 | -101.4 | -77.6 | 0 | 0 | 0 | 115.5 | ||||
| 910 | Q | 30.8 | Very low | 30.3 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | 63.4 | 151.1 | 147.2 | -67.1 | 168.2 | 51.9 | 0 | 0 | 120.5 | ||||
| 911 | P | 34.2 | Very low | 29.9 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | -134.2 | 167.5 | 101.7 | 39.4 | -31.1 | 0 | 0 | 0 | 114.9 | |||||
| 912 | V | 30.5 | Very low | 29.3 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | trans | -98.4 | 142.1 | -176.4 | 173.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 913 | G | 30.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | -163.4 | 115.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 914 | P | 34.9 | Very low | 29.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | trans | -107.5 | 155.9 | -170.5 | 38.4 | -34.1 | 0 | 0 | 0 | 116.1 | ||||
| 915 | N | 28.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | trans | 82 | 111.7 | 147.7 | -136.5 | -5 | 0 | 0 | 0 | 119.9 | ||||
| 916 | E | 31.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | -161.4 | 118.7 | 124.3 | -86.8 | -139.3 | 119.8 | 0 | 0 | 113.1 | |||||
| 917 | K | 28.9 | Very low | 29.4 | Very low | 162 Ų | 162 | 144 Ų | 144 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | trans | 37.9 | 139.1 | 132.3 | -53.3 | 162.7 | -167.8 | 160.2 | 0 | 119.3 | ||||
| 918 | K | 30.5 | Very low | 29.4 | Very low | 193 Ų | 193 | 139.4 Ų | 139.4 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | cis | -145.9 | 155 | 36.6 | -62.3 | 171.5 | -178.4 | 172.6 | 0 | 109.2 | ||||
| 919 | A | 28.4 | Very low | 29.5 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | 58.6 | 137.7 | 56.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 920 | I | 30.4 | Very low | 29.3 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | cis | -135.2 | 148.5 | 31.6 | -67.4 | 162.8 | 0 | 0 | 0 | 111.9 | E922 | I920-E922 HydrophobicContact CG2-CB 4.09Š| ||
| 921 | Q | 23.6 | Very low | 29.4 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -124 | 133.7 | 151.3 | -173.5 | 179.6 | 36 | 0 | 0 | 106.5 | ||||
| 922 | E | 28.8 | Very low | 29.1 | Very low | 177 Ų | 177 | 141.3 Ų | 141.3 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -125.9 | 151.5 | -175.9 | -156.4 | 164.6 | -120.8 | 0 | 0 | 110 | I920 | I920-E922 HydrophobicContact CG2-CB 4.09Š| ||
| 923 | N | 24.9 | Very low | 29.5 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | trans | -158 | 150.3 | -162.1 | -158.1 | -0.9 | 0 | 0 | 0 | 112.5 | ||||
| 924 | V | 26.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | trans | 72.4 | 101.4 | 168 | -166.8 | 0 | 0 | 0 | 0 | 119.2 | V926 | V924-V926 HydrophobicContact CG1-CG2 3.73Š| ||
| 925 | E | 27.5 | Very low | 29.3 | Very low | 192 Ų | 192 | 142.8 Ų | 142.8 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | -154.4 | 135.2 | 118.9 | -91.1 | -166.1 | 140.8 | 0 | 0 | 106.1 | |||||
| 926 | V | 27.4 | Very low | 29.5 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 67% | 0.673 | 77% | 0.768 | S | S | * | * | cis | 119.5 | 141.8 | 16.4 | 165.5 | 0 | 0 | 0 | 0 | 110 | V924 | V924-V926 HydrophobicContact CG1-CG2 3.73Š| ||
| 927 | V | 32.5 | Very low | 29.5 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 73.5 | 135.6 | -167.8 | -165 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 928 | G | 28.1 | Very low | 29.6 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 155.7 | 156.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 929 | V | 31.8 | Very low | 29.4 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | trans | 93 | 99 | 174.4 | -167.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 930 | T | 26.5 | Very low | 29.5 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 65.6 | 121.4 | 77.5 | -46.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 931 | E | 33.2 | Very low | 29.3 | Very low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | -146.3 | 161.9 | 75.6 | -77.8 | -179.9 | 163.4 | 0 | 0 | 116.2 | |||||
| 932 | Q | 28.1 | Very low | 29.4 | Very low | 179 Ų | 179 | 138.8 Ų | 138.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | -147.7 | -179.6 | 171.8 | -119.2 | -163.7 | 18.8 | 0 | 0 | 106.4 | ||||
| 933 | P | 38.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -116.4 | -133.3 | 17.9 | 27.9 | -3.1 | 0 | 0 | 0 | 111.4 | ||||
| 934 | T | 29.6 | Very low | 29.5 | Very low | 117 Ų | 117 | 142 Ų | 142 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | cis | -165.9 | 152.2 | 10.2 | -10.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 935 | T | 31.3 | Very low | 29.8 | Very low | 128 Ų | 128 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -150.8 | -178.2 | 6.1 | -23.3 | 0 | 0 | 0 | 0 | 105 | ||||
| 936 | S | 33.1 | Very low | 30 | Very low | 94 Ų | 94 | 141.9 Ų | 141.9 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | cis | -150.1 | 167.5 | 0.5 | 67.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 937 | V | 30.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 74% | 0.739 | 79% | 0.792 | S | S | * | * | cis | 69.8 | 117.3 | 34.1 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 938 | E | 30.5 | Very low | 30.1 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | cis | -128.4 | -178.5 | 28.7 | -65.8 | 178.5 | 141.8 | 0 | 0 | 115.5 | ||||
| 939 | S | 26.7 | Very low | 30.1 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -144.1 | 139.6 | 172.9 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 940 | E | 31.1 | Very low | 30.1 | Very low | 209 Ų | 209 | 148.3 Ų | 148.3 | 98% | 0.977 | 80% | 0.797 | S | S | * | * | trans | -133 | 166.6 | 168.9 | -90.2 | -149.5 | 143.4 | 0 | 0 | 112.5 | ||||
| 941 | E | 26.4 | Very low | 30.4 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -131.3 | 150.6 | -156.8 | -168.5 | -175.7 | -156.5 | 0 | 0 | 113.5 | ||||
| 942 | S | 26 | Very low | 30.3 | Very low | 93 Ų | 93 | 146.8 Ų | 146.8 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | 73.4 | 123.9 | 161.5 | 79.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 943 | K | 30.2 | Very low | 30.8 | Very low | 203 Ų | 203 | 144.1 Ų | 144.1 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | -170.6 | 150.6 | 101.3 | -101.8 | 160.7 | -172.7 | 160.7 | 0 | 113.6 | |||||
| 944 | Q | 25.4 | Very low | 30.7 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -95.4 | 142.7 | 169.4 | -61.6 | 167.2 | -22.4 | 0 | 0 | 109.9 | ||||
| 945 | Q | 31.1 | Very low | 31.3 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 156.8 | 130.6 | -107.5 | 176.8 | -11.1 | 0 | 0 | 110.7 | ||||
| 946 | P | 33.6 | Very low | 32.2 | Very low | 104 Ų | 104 | 144.1 Ų | 144.1 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | trans | -113.8 | -173.4 | -159 | 42.5 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 947 | I | 28.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | 79.5 | 130.4 | 173.4 | -52.7 | 156.1 | 0 | 0 | 0 | 111 | ||||
| 948 | T | 33.3 | Very low | 34.3 | Very low | 130 Ų | 130 | 146.3 Ų | 146.3 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | cis | -119.1 | 149.5 | 33 | 50.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 949 | D | 26.9 | Very low | 35.8 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | -66.8 | 137.5 | 170.6 | -51 | -87.8 | 0 | 0 | 0 | 113.6 | ||||
| 950 | N | 31.5 | Very low | 37.7 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | trans | -151.5 | 75.8 | 148.3 | -100.4 | -23.4 | 0 | 0 | 0 | 106.4 | E952 | N950-E952 VanDerWaalsContact C-N 3.27Å; N950-E952 PolarHBondContact O-N 3.2Å | ||
| 951 | A | 33.3 | Very low | 39.5 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | trans | -76.6 | 79 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | V953 | A951-V953 PolarHBondContact O-N 3.01Š| ||
| 952 | E | 31.8 | Very low | 41.6 | Very low | 187 Ų | 187 | 124.6 Ų | 124.6 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -60.3 | 129.7 | 155.8 | -170.3 | 156.2 | -138.5 | 0 | 0 | 107.6 | N950 D954 | N950-E952 VanDerWaalsContact C-N 3.27Å; N950-E952 PolarHBondContact O-N 3.2Å; E952-D954 PolarHBondContact O-N 3.08Å | ||
| 953 | V | 38.5 | Very low | 43.9 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | trans | -77.9 | 98.3 | -174.9 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | A951 V955 | A951-V953 PolarHBondContact O-N 3.01Å; V953-V955 HydrophobicContact CG1-CG2 3.99Å; V953-V955 PolarHBondContact O-N 2.67Å | ||
| 954 | D | 36.1 | Very low | 46 | Very low | 147 Ų | 147 | 119.8 Ų | 119.8 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | trans | -67.3 | 80.4 | 174.1 | -168.1 | 22.5 | 0 | 0 | 0 | 109.9 | E952 P956 | E952-D954 PolarHBondContact O-N 3.08Å; D954-P956 WeakPolarHBondContact O-CD 3.33Å | ||
| 955 | V | 41.3 | Very low | 48.2 | Very low | 102 Ų | 102 | 118.9 Ų | 118.9 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 116.4 | 168.3 | -179.8 | 0 | 0 | 0 | 0 | 106.2 | V953 | V953-V955 HydrophobicContact CG1-CG2 3.99Å; V953-V955 PolarHBondContact O-N 2.67Å |
| 956 | P | 50 | Low | 50.4 | Low | 98 Ų | 98 | 111.4 Ų | 111.4 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 132.6 | -179.6 | 24.3 | -33.7 | 0 | 0 | 0 | 109 | D954 E958 | D954-P956 WeakPolarHBondContact O-CD 3.33Å; P956-E958 PolarHBondContact O-N 3.09Å |
| 957 | P | 52.4 | Low | 52.6 | Low | 88 Ų | 88 | 108 Ų | 108 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -61 | 127.2 | -170.9 | 23.3 | -33.7 | 0 | 0 | 0 | 110.6 | K747 | K747-P957 HydrophobicContact CD-CB 4.04Å; K747-P957 HydrophobicContact CD-CG 4.42Å; K747-P957 HydrophobicContact CG-CB 4.2Å; K747-P957 HydrophobicContact CG-CG 4.22Å |
| 958 | E | 55.5 | Low | 55.1 | Low | 173 Ų | 173 | 105 Ų | 105 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -59 | 140.6 | 177.1 | -68.8 | -171.1 | 143.2 | 0 | 0 | 110.5 | P956 I960 | P956-E958 PolarHBondContact O-N 3.09Å; E958-I960 PolarHBondContact O-N 2.73Å |
| 959 | P | 61.6 | Low | 57.4 | Low | 70 Ų | 70 | 100.7 Ų | 100.7 | 46% | 0.455 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 134.3 | -177.4 | 26.8 | -34.3 | 0 | 0 | 0 | 111.2 | K747 V749 H961 | K747-P959 CarbonylContact O-C 3.53Å; K747-P959 WeakPolarHBondContact O-CA 3.27Å; K747-P959 VanDerWaalsContact O-CB 3.26Å; K747-P959 WeakPolarHBondContact O-CB 3.37Å; V749-P959 HydrophobicContact CG2-CB 4.09Å; P959-H961 PolarHBondContact O-N 3.17Å; P959-H961 VanDerWaalsContact O-N 3.1Å |
| 960 | I | 67.2 | Low | 60.1 | Low | 40 Ų | 40 | 94.3 Ų | 94.3 | 21% | 0.205 | 52% | 0.524 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 110.6 | 175.3 | -62.9 | 170.1 | 0 | 0 | 0 | 107.7 | D744 K747 Y748 E958 L962 | D744-I960 HydrophobicContact CB-CD1 4.16Å; K747-I960 HydrophobicContact CB-CD1 4Å; K747-I960 HydrophobicContact CB-CG1 3.93Å; K747-I960 HydrophobicContact CD-CD1 4.28Å; K747-I960 PolarHBondContact O-N 2.83Å; Y748-I960 HydrophobicContact CD2-CG2 4.48Å; E958-I960 PolarHBondContact O-N 2.73Å; I960-L962 HydrophobicContact CG2-CD2 4.01Å |
| 961 | H | 68 | Low | 63 | Low | 100 Ų | 100 | 86.8 Ų | 86.8 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | trans | -112.3 | 103.7 | 171.8 | -72 | -12 | 0 | 0 | 0 | 108.5 | K751 P959 | K751-H961 VanDerWaalsContact CE-CE1 3.49Å; K751-H961 WeakPolarHBondContact CE-CE1 3.3Å; K751-H961 PolarHBondContact NZ-CD2 2.85Å; K751-H961 PolarHBondContact NZ-CE1 3.43Å; K751-H961 VanDerWaalsContact NZ-CE1 3.28Å; K751-H961 PolarHBondContact NZ-ND1 3.05Å; K751-H961 PolarHBondContact NZ-NE2 3.1Å; P959-H961 PolarHBondContact O-N 3.17Å; P959-H961 VanDerWaalsContact O-N 3.1Å | ||
| 962 | L | 70.8 | Confident | 66 | Low | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.147 | 45% | 0.447 | C | S | . | . | trans | -69.2 | 137.6 | 170.3 | -55.9 | -175.1 | 0 | 0 | 0 | 109.4 | Y748 F822 Y824 I960 D966 I967 | Y748-L962 HydrophobicContact CE2-CD1 3.97Å; Y748-L962 HydrophobicContact CE2-CG 4.19Å; F822-L962 HydrophobicContact CE2-CD1 4.47Å; F822-L962 HydrophobicContact CZ-CD1 4.23Å; Y824-L962 HydrophobicContact CD1-CD2 3.72Å; Y824-L962 HydrophobicContact CD2-CD2 3.59Å; Y824-L962 HydrophobicContact CE1-CD2 3.72Å; Y824-L962 HydrophobicContact CE2-CD2 3.62Å; Y824-L962 HydrophobicContact CG-CD2 3.64Å; I960-L962 HydrophobicContact CG2-CD2 4.01Å; L962-D966 HydrophobicContact CB-CB 4.14Å; L962-D966 HydrophobicContact CD2-CB 4.33Å; L962-I967 HydrophobicContact CB-CD1 4.21Å; L962-I967 HydrophobicContact CB-CG1 3.78Å; L962-I967 HydrophobicContact CD1-CG1 4.06Å | ||
| 963 | S | 75.7 | Confident | 69.1 | Low | 52 Ų | 52 | 77.7 Ų | 77.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -81.8 | 166.4 | 165.4 | 73.1 | 0 | 0 | 0 | 0 | 110.9 | E965 D966 I967 | S963-E965 PolarHBondContact O-N 3.38Å; S963-E965 PolarHBondContact OG-N 3.21Å; S963-D966 VanDerWaalsContact CB-OD2 3.26Å; S963-D966 WeakPolarHBondContact CB-OD2 3.39Å; S963-D966 PolarHBondContact N-OD2 3.14Å; S963-D966 WeakPolarHBondContact O-CB 3.44Å; S963-D966 PolarHBondContact O-N 3.02Å; S963-D966 VanDerWaalsContact O-N 3.08Å; S963-D966 PolarHBondContact OG-N 3Å; S963-D966 PolarHBondContact OG-OD2 3.4Å; S963-I967 WeakPolarHBondContact O-CG1 3.04Å; S963-I967 PolarHBondContact O-N 2.97Å | ||
| 964 | Q | 72.8 | Confident | 71.8 | Confident | 143 Ų | 143 | 72.4 Ų | 72.4 | 67% | 0.668 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.1 | -30.4 | 174.4 | -163.4 | 67.3 | 4 | 0 | 0 | 112.3 | V968 | Q964-V968 VanDerWaalsContact O-CG2 3.29Å; Q964-V968 WeakPolarHBondContact O-CG2 3.16Å; Q964-V968 PolarHBondContact O-N 3.49Å; Q964-V968 VanDerWaalsContact O-N 3.1Å |
| 965 | E | 72.6 | Confident | 74.8 | Confident | 167 Ų | 167 | 66.3 Ų | 66.3 | 78% | 0.78 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.2 | -39.2 | 174.6 | -62.7 | -173.1 | -179.7 | 0 | 0 | 111.8 | S963 S969 | S963-E965 PolarHBondContact O-N 3.38Å; S963-E965 PolarHBondContact OG-N 3.21Å; E965-S969 VanDerWaalsContact O-CB 3.28Å; E965-S969 WeakPolarHBondContact O-CB 3.21Å; E965-S969 PolarHBondContact O-N 2.65Å |
| 966 | D | 76.9 | Confident | 77.3 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 20% | 0.198 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.1 | -48 | 174.4 | -63.6 | -66.2 | 0 | 0 | 0 | 110.9 | Y824 L962 S963 V968 S969 S970 | Y824-D966 HydrophobicContact CD2-CB 4.19Å; Y824-D966 HydrophobicContact CE2-CB 3.71Å; Y824-D966 WeakPolarHBondContact CE2-OD1 3.36Å; L962-D966 HydrophobicContact CB-CB 4.14Å; L962-D966 HydrophobicContact CD2-CB 4.33Å; S963-D966 VanDerWaalsContact CB-OD2 3.26Å; S963-D966 WeakPolarHBondContact CB-OD2 3.39Å; S963-D966 PolarHBondContact N-OD2 3.14Å; S963-D966 WeakPolarHBondContact O-CB 3.44Å; S963-D966 PolarHBondContact O-N 3.02Å; S963-D966 VanDerWaalsContact O-N 3.08Å; S963-D966 PolarHBondContact OG-N 3Å; S963-D966 PolarHBondContact OG-OD2 3.4Å; D966-V968 VanDerWaalsContact C-N 3.35Å; D966-V968 PolarHBondContact O-N 3.36Å; D966-S969 CarbonylContact O-C 3.54Å; D966-S969 WeakPolarHBondContact O-CA 3.41Å; D966-S969 WeakPolarHBondContact O-CB 3.48Å; D966-S969 PolarHBondContact O-N 2.99Å; D966-S970 PolarHBondContact O-N 3.14Å; D966-S970 PolarHBondContact O-OG 3.38Å; D966-S970 VanDerWaalsContact O-OG 3.09Å |
| 967 | I | 79.5 | Confident | 79.5 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 16% | 0.164 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 180 | -66.3 | 170.2 | 0 | 0 | 0 | 111.2 | L962 S963 S969 S970 A971 | L962-I967 HydrophobicContact CB-CD1 4.21Å; L962-I967 HydrophobicContact CB-CG1 3.78Å; L962-I967 HydrophobicContact CD1-CG1 4.06Å; S963-I967 WeakPolarHBondContact O-CG1 3.04Å; S963-I967 PolarHBondContact O-N 2.97Å; I967-S969 VanDerWaalsContact C-N 3.31Å; I967-S969 PolarHBondContact O-N 3.05Å; I967-S970 PolarHBondContact O-OG 3.05Å; I967-A971 WeakPolarHBondContact O-CB 3.45Å; I967-A971 PolarHBondContact O-N 3.12Å; I967-A971 VanDerWaalsContact O-N 3.14Å |
| 968 | V | 80.7 | Confident | 81.4 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 54% | 0.539 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.7 | -32.3 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | Q964 D966 | Q964-V968 VanDerWaalsContact O-CG2 3.29Å; Q964-V968 WeakPolarHBondContact O-CG2 3.16Å; Q964-V968 PolarHBondContact O-N 3.49Å; Q964-V968 VanDerWaalsContact O-N 3.1Å; D966-V968 VanDerWaalsContact C-N 3.35Å; D966-V968 PolarHBondContact O-N 3.36Å |
| 969 | S | 82.4 | Confident | 83.2 | Confident | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -75.6 | -39.6 | 179.1 | -167.7 | 0 | 0 | 0 | 0 | 112.9 | E965 D966 I967 G996 S997 | E965-S969 VanDerWaalsContact O-CB 3.28Å; E965-S969 WeakPolarHBondContact O-CB 3.21Å; E965-S969 PolarHBondContact O-N 2.65Å; D966-S969 CarbonylContact O-C 3.54Å; D966-S969 WeakPolarHBondContact O-CA 3.41Å; D966-S969 WeakPolarHBondContact O-CB 3.48Å; D966-S969 PolarHBondContact O-N 2.99Å; I967-S969 VanDerWaalsContact C-N 3.31Å; I967-S969 PolarHBondContact O-N 3.05Å; S969-G996 CarbonylContact O-C 3.58Å; S969-S997 WeakPolarHBondContact O-CB 3.28Å; S969-S997 PolarHBondContact O-N 3.44Å; S969-S997 WeakPolarHBondContact OG-CB 3.31Å |
| 970 | S | 83.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -72.6 | -27.9 | 175.7 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | S804 T823 D966 I967 V972 | S804-S970 CarbonylContact O-C 3.59Å; S804-S970 PolarHBondContact O-OG 2.83Å; T823-S970 WeakPolarHBondContact CB-O 3.44Å; T823-S970 PolarHBondContact OG1-O 3.06Å; D966-S970 PolarHBondContact O-N 3.14Å; D966-S970 PolarHBondContact O-OG 3.38Å; D966-S970 VanDerWaalsContact O-OG 3.09Å; I967-S970 PolarHBondContact O-OG 3.05Å; S970-V972 PolarHBondContact O-N 2.82Å |
| 971 | A | 92.8 | Very high | 85.7 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | trans | -49.4 | 131 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S804 I967 R973 T995 G996 | S804-A971 WeakPolarHBondContact O-CA 3.49Å; S804-A971 PolarHBondContact O-N 2.97Å; I967-A971 WeakPolarHBondContact O-CB 3.45Å; I967-A971 PolarHBondContact O-N 3.12Å; I967-A971 VanDerWaalsContact O-N 3.14Å; A971-R973 PolarHBondContact O-N 3.06Å; A971-T995 CarbonylContact O-C 3.52Å; A971-T995 VanDerWaalsContact O-CA 3.3Å; A971-T995 WeakPolarHBondContact O-CA 3.32Å; A971-G996 PolarHBondContact O-N 2.87Å | ||
| 972 | V | 96.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 104.3 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | T788 S789 S803 F807 T823 S970 L975 V993 G994 | T788-V972 CarbonylContact C-O 3.47Å; T788-V972 WeakPolarHBondContact CB-O 3.36Å; T788-V972 PolarHBondContact OG1-O 2.91Å; S789-V972 PolarHBondContact OG-O 3.37Å; S803-V972 PolarHBondContact O-N 3.12Å; F807-V972 HydrophobicContact CB-CB 4.49Å; F807-V972 HydrophobicContact CB-CG1 4.18Å; F807-V972 HydrophobicContact CB-CG2 4.13Å; T823-V972 HydrophobicContact CG2-CG2 3.85Å; S970-V972 PolarHBondContact O-N 2.82Å; V972-L975 HydrophobicContact CG1-CD2 3.97Å; V972-L975 HydrophobicContact CG1-CG 4.21Å; V972-V993 HydrophobicContact CG1-CG1 3.53Å; V972-V993 HydrophobicContact CG2-CG1 4.27Å; V972-G994 CarbonylContact C-O 3.57Å |
| 973 | R | 95.7 | Very high | 87.2 | Confident | 90 Ų | 90 | 43 Ų | 43 | 34% | 0.34 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -25.3 | -166.6 | -63.5 | -65.1 | -67.5 | 111 | -0.3 | 114.1 | A971 G994 P1029 I1030 | A971-R973 PolarHBondContact O-N 3.06Å; R973-G994 PolarHBondContact N-O 3.07Å; R973-P1029 HydrophobicContact CG-CB 4.49Å; R973-I1030 WeakPolarHBondContact CB-O 3.45Å |
| 974 | C | 96.3 | Very high | 87.4 | Confident | 13 Ų | 13 | 44.2 Ų | 44.2 | 9% | 0.088 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 149.7 | 175.5 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | G994 I1030 | C974-G994 PolarHBondContact N-O 2.98Å; C974-G994 PolarHBondContact O-N 2.89Å; C974-I1030 WeakPolarHBondContact SG-CG2 3.48Å |
| 975 | L | 97.2 | Very high | 87.9 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.8 | 177.4 | -68.7 | 168 | 0 | 0 | 0 | 109.3 | A791 A800 F807 V972 I991 W992 V993 | A791-L975 HydrophobicContact CB-CB 3.64Å; A800-L975 HydrophobicContact CB-CD1 3.88Å; F807-L975 HydrophobicContact CB-CD2 4.48Å; V972-L975 HydrophobicContact CG1-CD2 3.97Å; V972-L975 HydrophobicContact CG1-CG 4.21Å; L975-I991 HydrophobicContact CD2-CD1 4.26Å; L975-W992 WeakPolarHBondContact CA-O 3.37Å; L975-V993 HydrophobicContact CD2-CB 4.17Å; L975-V993 HydrophobicContact CD2-CG1 3.93Å; L975-V993 HydrophobicContact CD2-CG2 3.82Å |
| 976 | L | 95.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 38.3 Ų | 38.3 | 9% | 0.094 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 119.6 | 178.2 | 175.8 | 72.9 | 0 | 0 | 0 | 110.9 | I991 W992 L1033 I1035 | L976-I991 CarbonylContact O-C 3.55Å; L976-I991 WeakPolarHBondContact O-CA 3.35Å; L976-W992 HydrophobicContact CB-CB 4.36Å; L976-W992 PolarHBondContact N-O 3.33Å; L976-W992 PolarHBondContact O-N 2.88Å; L976-L1033 HydrophobicContact CB-CB 4.41Å; L976-L1033 HydrophobicContact CD2-CB 4.16Å; L976-I1035 HydrophobicContact CD2-CD1 4.39Å; L976-I1035 HydrophobicContact CD2-CG1 3.93Å |
| 977 | F | 94.9 | Very high | 89 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 141.1 | 160.4 | -69.1 | -65.9 | 0 | 0 | 0 | 110.4 | A791 E793 W796 L798 A800 L809 S990 I991 L1005 | A791-F977 HydrophobicContact CB-CD2 3.92Å; A791-F977 HydrophobicContact CB-CE2 4.06Å; E793-F977 HydrophobicContact CB-CB 3.91Å; E793-F977 HydrophobicContact CB-CD2 3.57Å; E793-F977 HydrophobicContact CB-CE2 4.16Å; E793-F977 HydrophobicContact CB-CG 3.77Å; E793-F977 HydrophobicContact CG-CB 4.42Å; W796-F977 HydrophobicContact CE3-CD1 4.03Å; W796-F977 HydrophobicContact CE3-CG 4.45Å; W796-F977 HydrophobicContact CH2-CB 4.46Å; W796-F977 HydrophobicContact CZ3-CB 3.93Å; W796-F977 AromaticContact CZ3-CD1 3.72Å; W796-F977 HydrophobicContact CZ3-CD1 3.72Å; W796-F977 HydrophobicContact CZ3-CG 4.15Å; L798-F977 HydrophobicContact CB-CE1 4.04Å; L798-F977 HydrophobicContact CB-CE2 4.38Å; L798-F977 HydrophobicContact CB-CZ 3.7Å; L798-F977 HydrophobicContact CD1-CE1 4.46Å; L798-F977 VanDerWaalsContact O-CE2 3.23Å; L798-F977 WeakPolarHBondContact O-CE2 3.08Å; A800-F977 HydrophobicContact CB-CE2 4.13Å; A800-F977 HydrophobicContact CB-CZ 3.85Å; L809-F977 HydrophobicContact CD1-CE1 3.64Å; L809-F977 HydrophobicContact CD1-CZ 3.56Å; F977-S990 WeakPolarHBondContact CA-O 3.23Å; F977-I991 HydrophobicContact CD1-CB 3.84Å; F977-I991 HydrophobicContact CD1-CD1 4.23Å; F977-I991 HydrophobicContact CD1-CG1 4.14Å; F977-I991 HydrophobicContact CE1-CB 3.92Å; F977-I991 HydrophobicContact CE1-CD1 3.77Å; F977-I991 HydrophobicContact CE1-CG1 4.14Å; F977-I991 HydrophobicContact CZ-CD1 4.04Å; F977-L1005 HydrophobicContact CD1-CD1 4.11Å; F977-L1005 HydrophobicContact CE1-CD1 3.97Å |
| 978 | S | 93.3 | Very high | 89.5 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163 | 149 | 174.7 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | S990 I1035 | S978-S990 PolarHBondContact N-O 2.82Å; S978-S990 WeakPolarHBondContact O-CA 3.41Å; S978-S990 WeakPolarHBondContact O-CB 3.19Å; S978-S990 PolarHBondContact O-N 3.15Å; S978-S990 PolarHBondContact O-OG 2.82Å; S978-I1035 WeakPolarHBondContact OG-CB 3.37Å; S978-I1035 WeakPolarHBondContact OG-CG1 3.34Å |
| 979 | E | 91.7 | Very high | 90.1 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 108.3 | 173.5 | -159.2 | -170.7 | 127.1 | 0 | 0 | 110 | W796 R987 A988 S1047 Q1048 A1049 | W796-E979 HydrophobicContact CZ2-CB 4.29Å; E979-R987 HydrophobicContact CG-CB 4.14Å; E979-A988 WeakPolarHBondContact CA-O 3.49Å; E979-S1047 WeakPolarHBondContact OE2-CA 3.3Å; E979-S1047 WeakPolarHBondContact OE2-CB 3.32Å; E979-S1047 PolarHBondContact OE2-OG 3Å; E979-Q1048 PolarHBondContact OE2-N 2.84Å; E979-A1049 PolarHBondContact OE2-N 2.85Å |
| 980 | T | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 165.9 | -165 | -164.3 | 0 | 0 | 0 | 0 | 113.8 | I982 A988 W992 H1098 | T980-I982 HydrophobicContact CG2-CG1 4.24Å; T980-I982 PolarHBondContact O-N 2.99Å; T980-A988 PolarHBondContact N-O 3.44Å; T980-A988 PolarHBondContact O-N 3.5Å; T980-W992 HydrophobicContact CG2-CZ2 3.92Å; T980-H1098 PolarHBondContact OG1-ND1 2.87Å |
| 981 | Y | 90.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 35 Ų | 35 | 14% | 0.137 | 19% | 0.193 | C | C | . | . | trans | -78.1 | 76.1 | -178.6 | -52.3 | -78.5 | 0 | 0 | 0 | 111.4 | Q983 G985 R987 I1097 H1098 I1113 P1114 | Y981-Q983 PolarHBondContact O-N 2.94Å; Y981-G985 VanDerWaalsContact CD1-O 3.31Å; Y981-G985 WeakPolarHBondContact CD1-O 3.42Å; Y981-R987 HydrophobicContact CD1-CG 4Å; Y981-R987 HydrophobicContact CD2-CG 4.37Å; Y981-R987 HydrophobicContact CE1-CB 4.43Å; Y981-R987 HydrophobicContact CE1-CG 3.49Å; Y981-R987 VanDerWaalsContact CE1-CG 3.49Å; Y981-R987 HydrophobicContact CE2-CG 3.88Å; Y981-R987 HydrophobicContact CG-CG 4.42Å; Y981-R987 VanDerWaalsContact CZ-CG 3.4Å; Y981-R987 PolarHBondContact OH-NE 2.74Å; Y981-R987 VanDerWaalsContact OH-NE 3.15Å; Y981-I1097 HydrophobicContact CE2-CB 4.11Å; Y981-H1098 HydrophobicContact CD2-CB 4.24Å; Y981-H1098 AromaticContact CD2-CE1 3.76Å; Y981-H1098 AromaticContact CD2-CG 3.68Å; Y981-H1098 AromaticContact CD2-ND1 3.48Å; Y981-H1098 WeakPolarHBondContact CD2-ND1 3.41Å; Y981-H1098 AromaticContact CE2-CD2 3.71Å; Y981-H1098 AromaticContact CE2-CE1 3.48Å; Y981-H1098 VanDerWaalsContact CE2-CE1 3.48Å; Y981-H1098 WeakPolarHBondContact CE2-CE1 3.48Å; Y981-H1098 AromaticContact CE2-CG 3.8Å; Y981-H1098 AromaticContact CE2-ND1 3.66Å; Y981-H1098 AromaticContact CE2-NE2 3.47Å; Y981-H1098 WeakPolarHBondContact CE2-NE2 3.48Å; Y981-I1113 WeakPolarHBondContact O-CG2 3.46Å; Y981-P1114 VanDerWaalsContact O-CA 3.27Å; Y981-P1114 WeakPolarHBondContact O-CA 3.45Å; Y981-P1114 WeakPolarHBondContact O-CB 3.45Å | ||
| 982 | I | 85.5 | Confident | 91.5 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -64.6 | -34.3 | 178 | -44.9 | 173 | 0 | 0 | 0 | 111 | T980 S990 N1004 K1020 | T980-I982 HydrophobicContact CG2-CG1 4.24Å; T980-I982 PolarHBondContact O-N 2.99Å; I982-S990 VanDerWaalsContact CD1-CB 3.4Å; I982-N1004 VanDerWaalsContact CD1-CA 3.4Å; I982-N1004 HydrophobicContact CD1-CB 3.56Å; I982-N1004 WeakPolarHBondContact CD1-OD1 3.34Å; I982-K1020 HydrophobicContact CG2-CG 4.18Å; I982-K1020 WeakPolarHBondContact O-CE 3.46Å; I982-K1020 PolarHBondContact O-NZ 3.33Å |
| 983 | Q | 84.4 | Confident | 91.5 | Very high | 111 Ų | 111 | 34.8 Ų | 34.8 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -127.2 | 171.6 | 178.6 | -54.4 | -172.1 | 17.1 | 0 | 0 | 109.2 | Y981 G985 | Y981-Q983 PolarHBondContact O-N 2.94Å; Q983-G985 PolarHBondContact O-N 2.81Å |
| 984 | A | 79 | Confident | 91.6 | Very high | 76 Ų | 76 | 30.5 Ų | 30.5 | 63% | 0.628 | 18% | 0.175 | S | C | * | . | S | Bend | trans | -74.4 | 116.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 985 | G | 83.3 | Confident | 91.5 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 40% | 0.402 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 156.1 | -148.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y981 Q983 | Y981-G985 VanDerWaalsContact CD1-O 3.31Å; Y981-G985 WeakPolarHBondContact CD1-O 3.42Å; Q983-G985 PolarHBondContact O-N 2.81Å |
| 986 | D | 84.6 | Confident | 91.3 | Very high | 147 Ų | 147 | 29.5 Ų | 29.5 | 79% | 0.786 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -78.4 | 174.2 | 175.2 | -57.8 | -56.5 | 0 | 0 | 0 | 112.4 | ||
| 987 | R | 88.8 | Confident | 91.1 | Very high | 90 Ų | 90 | 29.7 Ų | 29.7 | 34% | 0.34 | 17% | 0.173 | S | C | . | . | trans | -69.6 | 143 | 172.5 | -60.6 | 178.4 | 178.2 | -176.5 | -6.3 | 109.3 | E979 Y981 H1098 | E979-R987 HydrophobicContact CG-CB 4.14Å; Y981-R987 HydrophobicContact CD1-CG 4Å; Y981-R987 HydrophobicContact CD2-CG 4.37Å; Y981-R987 HydrophobicContact CE1-CB 4.43Å; Y981-R987 HydrophobicContact CE1-CG 3.49Å; Y981-R987 VanDerWaalsContact CE1-CG 3.49Å; Y981-R987 HydrophobicContact CE2-CG 3.88Å; Y981-R987 HydrophobicContact CG-CG 4.42Å; Y981-R987 VanDerWaalsContact CZ-CG 3.4Å; Y981-R987 PolarHBondContact OH-NE 2.74Å; Y981-R987 VanDerWaalsContact OH-NE 3.15Å; R987-H1098 PolarHBondContact NE-CE1 3.03Å; R987-H1098 PolarHBondContact NE-NE2 2.85Å; R987-H1098 PolarHBondContact NH2-NE2 2.84Å | ||
| 988 | A | 90 | Very high | 91 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 144 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E979 T980 S990 N1004 | E979-A988 WeakPolarHBondContact CA-O 3.49Å; T980-A988 PolarHBondContact N-O 3.44Å; T980-A988 PolarHBondContact O-N 3.5Å; A988-S990 PolarHBondContact O-N 3.32Å; A988-N1004 WeakPolarHBondContact CB-OD1 3.45Å |
| 989 | P | 93.4 | Very high | 91 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 13% | 0.13 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.2 | 132.6 | 167.6 | -28.8 | 38.3 | 0 | 0 | 0 | 111.4 | W796 N1004 L1005 W1007 A1049 | W796-P989 HydrophobicContact CD2-CB 4.37Å; W796-P989 HydrophobicContact CE3-CB 4.28Å; W796-P989 HydrophobicContact CH2-CB 3.64Å; W796-P989 HydrophobicContact CZ2-CB 3.71Å; W796-P989 HydrophobicContact CZ2-CG 4.15Å; W796-P989 HydrophobicContact CZ3-CB 3.92Å; P989-N1004 PolarHBondContact O-OD1 2.73Å; P989-L1005 HydrophobicContact CB-CB 4.1Å; P989-L1005 WeakPolarHBondContact O-CB 3.29Å; P989-L1005 PolarHBondContact O-N 3.11Å; P989-W1007 HydrophobicContact CB-CH2 3.67Å; P989-W1007 HydrophobicContact CB-CZ3 3.68Å; P989-W1007 HydrophobicContact CG-CH2 3.53Å; P989-W1007 HydrophobicContact CG-CZ2 4.25Å; P989-W1007 HydrophobicContact CG-CZ3 3.89Å; P989-A1049 HydrophobicContact CG-CB 3.91Å |
| 990 | S | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.1 | -172.9 | 77.1 | 0 | 0 | 0 | 0 | 112.1 | F977 S978 I982 A988 W992 F1003 | F977-S990 WeakPolarHBondContact CA-O 3.23Å; S978-S990 PolarHBondContact N-O 2.82Å; S978-S990 WeakPolarHBondContact O-CA 3.41Å; S978-S990 WeakPolarHBondContact O-CB 3.19Å; S978-S990 PolarHBondContact O-N 3.15Å; S978-S990 PolarHBondContact O-OG 2.82Å; I982-S990 VanDerWaalsContact CD1-CB 3.4Å; A988-S990 PolarHBondContact O-N 3.32Å; S990-W992 PolarHBondContact OG-NE1 2.88Å; S990-F1003 WeakPolarHBondContact CA-O 3.46Å |
| 991 | I | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.3 | 164 | -174.7 | 172.6 | 0 | 0 | 0 | 111 | A800 L809 L975 L976 F977 V993 A1002 F1003 L1005 | A800-I991 HydrophobicContact CB-CD1 3.25Å; L809-I991 HydrophobicContact CD1-CD1 4.22Å; L809-I991 HydrophobicContact CD2-CG2 4.48Å; L975-I991 HydrophobicContact CD2-CD1 4.26Å; L976-I991 CarbonylContact O-C 3.55Å; L976-I991 WeakPolarHBondContact O-CA 3.35Å; F977-I991 HydrophobicContact CD1-CB 3.84Å; F977-I991 HydrophobicContact CD1-CD1 4.23Å; F977-I991 HydrophobicContact CD1-CG1 4.14Å; F977-I991 HydrophobicContact CE1-CB 3.92Å; F977-I991 HydrophobicContact CE1-CD1 3.77Å; F977-I991 HydrophobicContact CE1-CG1 4.14Å; F977-I991 HydrophobicContact CZ-CD1 4.04Å; I991-V993 HydrophobicContact CG1-CG2 4.5Å; I991-A1002 WeakPolarHBondContact O-CA 3.47Å; I991-F1003 HydrophobicContact CG2-CB 3.81Å; I991-F1003 HydrophobicContact CG2-CG 4.47Å; I991-F1003 PolarHBondContact N-O 2.81Å; I991-F1003 VanDerWaalsContact N-O 3.07Å; I991-F1003 PolarHBondContact O-N 2.98Å; I991-L1005 HydrophobicContact CB-CD1 4.28Å; I991-L1005 HydrophobicContact CG2-CD1 4.24Å; I991-L1005 HydrophobicContact CG2-CD2 4.04Å; I991-L1005 HydrophobicContact CG2-CG 4.35Å |
| 992 | W | 96.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 135.9 | 178 | -57.8 | 70.1 | 0 | 0 | 0 | 109.9 | L975 L976 T980 S990 V1000 L1001 A1002 L1033 I1035 L1100 L1116 | L975-W992 WeakPolarHBondContact CA-O 3.37Å; L976-W992 HydrophobicContact CB-CB 4.36Å; L976-W992 PolarHBondContact N-O 3.33Å; L976-W992 PolarHBondContact O-N 2.88Å; T980-W992 HydrophobicContact CG2-CZ2 3.92Å; S990-W992 PolarHBondContact OG-NE1 2.88Å; W992-V1000 HydrophobicContact CE3-CG1 4.03Å; W992-L1001 CarbonylContact C-O 3.56Å; W992-L1001 WeakPolarHBondContact CA-O 3.27Å; W992-A1002 HydrophobicContact CD2-CB 3.75Å; W992-A1002 HydrophobicContact CE3-CB 3.57Å; W992-A1002 HydrophobicContact CG-CB 4.45Å; W992-A1002 HydrophobicContact CH2-CB 3.93Å; W992-A1002 HydrophobicContact CZ2-CB 4.08Å; W992-A1002 HydrophobicContact CZ3-CB 3.66Å; W992-L1033 HydrophobicContact CB-CD1 4.02Å; W992-I1035 HydrophobicContact CD2-CD1 4.26Å; W992-I1035 HydrophobicContact CZ2-CD1 4.04Å; W992-L1100 HydrophobicContact CD2-CD1 4.44Å; W992-L1100 HydrophobicContact CE3-CD1 3.98Å; W992-L1100 HydrophobicContact CE3-CD2 4.17Å; W992-L1100 HydrophobicContact CZ3-CD1 4.16Å; W992-L1100 HydrophobicContact CZ3-CD2 3.78Å; W992-L1100 HydrophobicContact CZ3-CG 4.48Å; W992-L1116 HydrophobicContact CH2-CD2 4.15Å; W992-L1116 HydrophobicContact CZ3-CD2 4.21Å |
| 993 | V | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 116.6 | -170.6 | -174.4 | 0 | 0 | 0 | 0 | 109 | F807 V972 L975 I991 V1000 L1001 F1003 | F807-V993 HydrophobicContact CD1-CG1 3.76Å; F807-V993 HydrophobicContact CD1-CG2 4.19Å; F807-V993 HydrophobicContact CD2-CG2 4.16Å; F807-V993 HydrophobicContact CE1-CG1 4.14Å; F807-V993 HydrophobicContact CE1-CG2 3.95Å; F807-V993 HydrophobicContact CE2-CG2 3.94Å; F807-V993 HydrophobicContact CG-CG1 4.11Å; F807-V993 HydrophobicContact CG-CG2 4.3Å; F807-V993 HydrophobicContact CZ-CG2 3.84Å; V972-V993 HydrophobicContact CG1-CG1 3.53Å; V972-V993 HydrophobicContact CG2-CG1 4.27Å; L975-V993 HydrophobicContact CD2-CB 4.17Å; L975-V993 HydrophobicContact CD2-CG1 3.93Å; L975-V993 HydrophobicContact CD2-CG2 3.82Å; I991-V993 HydrophobicContact CG1-CG2 4.5Å; V993-V1000 CarbonylContact O-C 3.58Å; V993-V1000 VanDerWaalsContact O-CA 3.25Å; V993-V1000 WeakPolarHBondContact O-CA 3.2Å; V993-L1001 HydrophobicContact CB-CB 4.25Å; V993-L1001 PolarHBondContact N-O 2.85Å; V993-L1001 PolarHBondContact O-N 2.9Å; V993-F1003 HydrophobicContact CG2-CD2 4.4Å; V993-F1003 HydrophobicContact CG2-CE2 4.34Å |
| 994 | G | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 140.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | V972 R973 C974 | V972-G994 CarbonylContact C-O 3.57Å; R973-G994 PolarHBondContact N-O 3.07Å; C974-G994 PolarHBondContact N-O 2.98Å; C974-G994 PolarHBondContact O-N 2.89Å |
| 995 | T | 95.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 164.4 | -169.8 | 60.8 | 0 | 0 | 0 | 0 | 114.3 | A971 S997 G998 K999 I1030 | A971-T995 CarbonylContact O-C 3.52Å; A971-T995 VanDerWaalsContact O-CA 3.3Å; A971-T995 WeakPolarHBondContact O-CA 3.32Å; T995-S997 VanDerWaalsContact C-N 3.34Å; T995-S997 PolarHBondContact O-N 2.89Å; T995-S997 PolarHBondContact OG1-OG 2.98Å; T995-G998 PolarHBondContact O-N 3.43Å; T995-K999 PolarHBondContact N-O 2.91Å; T995-K999 WeakPolarHBondContact OG1-CA 3.47Å; T995-K999 WeakPolarHBondContact OG1-CB 3.36Å; T995-K999 PolarHBondContact OG1-N 2.89Å; T995-K999 PolarHBondContact OG1-O 2.61Å; T995-I1030 PolarHBondContact O-N 3.08Å; T995-I1030 VanDerWaalsContact O-N 3.07Å |
| 996 | G | 93.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 22 Ų | 22 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -37.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S969 A971 G998 P1029 | S969-G996 CarbonylContact O-C 3.58Å; A971-G996 PolarHBondContact O-N 2.87Å; G996-G998 PolarHBondContact O-N 2.92Å; G996-G998 VanDerWaalsContact O-N 3.16Å; G996-P1029 VanDerWaalsContact O-CA 3.25Å; G996-P1029 WeakPolarHBondContact O-CA 3.46Å; G996-P1029 WeakPolarHBondContact O-CG 3.39Å |
| 997 | S | 90.9 | Very high | 93.9 | Very high | 22 Ų | 22 | 17.2 Ų | 17.2 | 15% | 0.154 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -0.3 | 175.4 | 65.1 | 0 | 0 | 0 | 0 | 115.1 | S969 T995 K999 Q1023 H1027 | S969-S997 WeakPolarHBondContact O-CB 3.28Å; S969-S997 PolarHBondContact O-N 3.44Å; S969-S997 WeakPolarHBondContact OG-CB 3.31Å; T995-S997 VanDerWaalsContact C-N 3.34Å; T995-S997 PolarHBondContact O-N 2.89Å; T995-S997 PolarHBondContact OG1-OG 2.98Å; S997-K999 VanDerWaalsContact C-N 3.32Å; S997-K999 PolarHBondContact O-N 3.45Å; S997-Q1023 PolarHBondContact O-NE2 3.14Å; S997-H1027 WeakPolarHBondContact O-CA 3.38Å; S997-H1027 PolarHBondContact O-ND1 2.91Å |
| 998 | G | 92.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 73.6 | 19.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T995 G996 Q1023 L1024 S1028 | T995-G998 PolarHBondContact O-N 3.43Å; G996-G998 PolarHBondContact O-N 2.92Å; G996-G998 VanDerWaalsContact O-N 3.16Å; G998-Q1023 PolarHBondContact O-NE2 3.28Å; G998-L1024 WeakPolarHBondContact O-CB 3.4Å; G998-L1024 WeakPolarHBondContact O-CG 3.5Å; G998-L1024 PolarHBondContact O-N 2.85Å; G998-S1028 VanDerWaalsContact CA-O 3.23Å; G998-S1028 WeakPolarHBondContact CA-O 3.3Å |
| 999 | K | 94.3 | Very high | 93.2 | Very high | 36 Ų | 36 | 25.5 Ų | 25.5 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 146 | 164.5 | -64.7 | -176.2 | 175.5 | -157.3 | 0 | 110.9 | D825 T995 S997 E1021 L1022 | D825-K999 IonicContact OD2-NZ 2.87Å; D825-K999 PolarHBondContact OD2-NZ 2.89Å; T995-K999 PolarHBondContact N-O 2.91Å; T995-K999 WeakPolarHBondContact OG1-CA 3.47Å; T995-K999 WeakPolarHBondContact OG1-CB 3.36Å; T995-K999 PolarHBondContact OG1-N 2.89Å; T995-K999 PolarHBondContact OG1-O 2.61Å; S997-K999 VanDerWaalsContact C-N 3.32Å; S997-K999 PolarHBondContact O-N 3.45Å; K999-E1021 VanDerWaalsContact CD-OE1 3.29Å; K999-E1021 WeakPolarHBondContact CD-OE1 3.25Å; K999-E1021 VanDerWaalsContact CE-OE1 3.24Å; K999-E1021 WeakPolarHBondContact CE-OE1 3.13Å; K999-E1021 IonicContact NZ-OE1 2.81Å; K999-E1021 PolarHBondContact NZ-OE1 3.03Å; K999-L1022 CarbonylContact C-O 3.56Å; K999-L1022 WeakPolarHBondContact CA-O 3.43Å |
| 1000 | V | 95.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.012 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.3 | 162.3 | 179.1 | 0 | 0 | 0 | 0 | 109.5 | W992 V993 E1021 L1022 I1030 L1033 L1102 | W992-V1000 HydrophobicContact CE3-CG1 4.03Å; V993-V1000 CarbonylContact O-C 3.58Å; V993-V1000 VanDerWaalsContact O-CA 3.25Å; V993-V1000 WeakPolarHBondContact O-CA 3.2Å; V1000-E1021 CarbonylContact O-C 3.42Å; V1000-E1021 WeakPolarHBondContact O-CA 3.44Å; V1000-L1022 HydrophobicContact CB-CB 4.38Å; V1000-L1022 PolarHBondContact N-O 2.9Å; V1000-L1022 PolarHBondContact O-N 3.01Å; V1000-I1030 HydrophobicContact CG2-CD1 4.08Å; V1000-I1030 HydrophobicContact CG2-CG1 4.01Å; V1000-L1033 HydrophobicContact CG1-CD1 3.98Å; V1000-L1033 HydrophobicContact CG1-CD2 4.49Å; V1000-L1033 HydrophobicContact CG2-CD1 4.4Å; V1000-L1033 HydrophobicContact CG2-CD2 4.01Å; V1000-L1102 HydrophobicContact CG2-CD1 3.65Å |
| 1001 | L | 95 | Very high | 91.1 | Very high | 10 Ų | 10 | 28.8 Ų | 28.8 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 142.5 | 172.5 | -51 | 177.3 | 0 | 0 | 0 | 109.2 | W992 V993 F1003 L1018 E1021 | W992-L1001 CarbonylContact C-O 3.56Å; W992-L1001 WeakPolarHBondContact CA-O 3.27Å; V993-L1001 HydrophobicContact CB-CB 4.25Å; V993-L1001 PolarHBondContact N-O 2.85Å; V993-L1001 PolarHBondContact O-N 2.9Å; L1001-F1003 HydrophobicContact CB-CD2 4.36Å; L1001-F1003 HydrophobicContact CB-CE2 3.72Å; L1001-F1003 HydrophobicContact CD1-CE2 4.16Å; L1001-F1003 HydrophobicContact CD1-CZ 4.45Å; L1001-L1018 HydrophobicContact CB-CD1 3.97Å; L1001-L1018 HydrophobicContact CD2-CD1 4.35Å; L1001-E1021 HydrophobicContact CD2-CB 4Å; L1001-E1021 HydrophobicContact CD2-CG 3.78Å |
| 1002 | A | 95.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I991 W992 S1019 K1020 | I991-A1002 WeakPolarHBondContact O-CA 3.47Å; W992-A1002 HydrophobicContact CD2-CB 3.75Å; W992-A1002 HydrophobicContact CE3-CB 3.57Å; W992-A1002 HydrophobicContact CG-CB 4.45Å; W992-A1002 HydrophobicContact CH2-CB 3.93Å; W992-A1002 HydrophobicContact CZ2-CB 4.08Å; W992-A1002 HydrophobicContact CZ3-CB 3.66Å; A1002-S1019 PolarHBondContact O-N 3.12Å; A1002-K1020 HydrophobicContact CB-CB 4.02Å; A1002-K1020 HydrophobicContact CB-CG 4.43Å; A1002-K1020 PolarHBondContact N-O 2.94Å; A1002-K1020 PolarHBondContact O-N 3.1Å |
| 1003 | F | 95.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133 | 179.2 | -65.8 | -106.7 | 0 | 0 | 0 | 109.9 | F807 H819 H821 S990 I991 V993 L1001 A1016 T1017 L1018 | F807-F1003 AromaticContact CE1-CE2 3.92Å; F807-F1003 HydrophobicContact CE1-CE2 3.92Å; F807-F1003 HydrophobicContact CE1-CZ 4.07Å; F807-F1003 HydrophobicContact CZ-CD2 4.08Å; F807-F1003 HydrophobicContact CZ-CE1 4.39Å; F807-F1003 AromaticContact CZ-CE2 3.46Å; F807-F1003 HydrophobicContact CZ-CE2 3.46Å; F807-F1003 VanDerWaalsContact CZ-CE2 3.46Å; F807-F1003 AromaticContact CZ-CZ 3.64Å; F807-F1003 HydrophobicContact CZ-CZ 3.64Å; H819-F1003 AromaticContact CD2-CE1 3.71Å; H819-F1003 AromaticContact NE2-CE1 3.33Å; H819-F1003 VanDerWaalsContact NE2-CE1 3.33Å; H819-F1003 WeakPolarHBondContact NE2-CE1 3.17Å; H819-F1003 AromaticContact NE2-CZ 3.76Å; H821-F1003 AromaticContact CD2-CZ 3.99Å; S990-F1003 WeakPolarHBondContact CA-O 3.46Å; I991-F1003 HydrophobicContact CG2-CB 3.81Å; I991-F1003 HydrophobicContact CG2-CG 4.47Å; I991-F1003 PolarHBondContact N-O 2.81Å; I991-F1003 VanDerWaalsContact N-O 3.07Å; I991-F1003 PolarHBondContact O-N 2.98Å; V993-F1003 HydrophobicContact CG2-CD2 4.4Å; V993-F1003 HydrophobicContact CG2-CE2 4.34Å; L1001-F1003 HydrophobicContact CB-CD2 4.36Å; L1001-F1003 HydrophobicContact CB-CE2 3.72Å; L1001-F1003 HydrophobicContact CD1-CE2 4.16Å; L1001-F1003 HydrophobicContact CD1-CZ 4.45Å; F1003-A1016 HydrophobicContact CD1-CB 4.49Å; F1003-T1017 CarbonylContact C-O 3.56Å; F1003-T1017 WeakPolarHBondContact CA-O 3.39Å; F1003-L1018 HydrophobicContact CD1-CB 4Å; F1003-L1018 HydrophobicContact CD2-CD1 4.2Å; F1003-L1018 HydrophobicContact CE1-CB 3.72Å; F1003-L1018 HydrophobicContact CE1-CD1 4.23Å; F1003-L1018 HydrophobicContact CE2-CD1 3.85Å; F1003-L1018 HydrophobicContact CZ-CB 4.17Å; F1003-L1018 HydrophobicContact CZ-CD1 3.86Å; F1003-L1018 HydrophobicContact CZ-CG 4.49Å |
| 1004 | N | 94.8 | Very high | 89.6 | Confident | 35 Ų | 35 | 34.3 Ų | 34.3 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.2 | 169.3 | -169.4 | 24.1 | 0 | 0 | 0 | 109.4 | I982 A988 P989 A1016 T1017 S1019 | I982-N1004 VanDerWaalsContact CD1-CA 3.4Å; I982-N1004 HydrophobicContact CD1-CB 3.56Å; I982-N1004 WeakPolarHBondContact CD1-OD1 3.34Å; A988-N1004 WeakPolarHBondContact CB-OD1 3.45Å; P989-N1004 PolarHBondContact O-OD1 2.73Å; N1004-A1016 WeakPolarHBondContact O-CA 3.36Å; N1004-T1017 PolarHBondContact N-O 2.91Å; N1004-T1017 PolarHBondContact O-N 2.9Å; N1004-T1017 PolarHBondContact O-OG1 2.9Å; N1004-S1019 WeakPolarHBondContact CB-OG 3.35Å |
| 1005 | L | 94.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 130 | -178.6 | -55 | -179.9 | 0 | 0 | 0 | 109.6 | W796 L798 L809 F977 P989 I991 W1007 V1014 T1015 A1016 | W796-L1005 HydrophobicContact CE3-CD1 4.28Å; W796-L1005 HydrophobicContact CZ3-CD1 4.06Å; L798-L1005 HydrophobicContact CD1-CD1 3.98Å; L809-L1005 HydrophobicContact CD2-CD2 3.55Å; F977-L1005 HydrophobicContact CD1-CD1 4.11Å; F977-L1005 HydrophobicContact CE1-CD1 3.97Å; P989-L1005 HydrophobicContact CB-CB 4.1Å; P989-L1005 WeakPolarHBondContact O-CB 3.29Å; P989-L1005 PolarHBondContact O-N 3.11Å; I991-L1005 HydrophobicContact CB-CD1 4.28Å; I991-L1005 HydrophobicContact CG2-CD1 4.24Å; I991-L1005 HydrophobicContact CG2-CD2 4.04Å; I991-L1005 HydrophobicContact CG2-CG 4.35Å; L1005-W1007 HydrophobicContact CB-CZ3 4.33Å; L1005-V1014 HydrophobicContact CB-CG1 4.46Å; L1005-T1015 WeakPolarHBondContact CA-O 3.25Å; L1005-A1016 HydrophobicContact CD2-CB 3.63Å |
| 1006 | S | 91.6 | Very high | 89.5 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 143.8 | 178.4 | 74.1 | 0 | 0 | 0 | 0 | 113 | T1015 | S1006-T1015 PolarHBondContact N-O 2.77Å; S1006-T1015 PolarHBondContact O-N 3.26Å; S1006-T1015 PolarHBondContact O-OG1 3.07Å; S1006-T1015 PolarHBondContact OG-OG1 3.08Å |
| 1007 | W | 90.3 | Very high | 89.5 | Confident | 46 Ų | 46 | 41.5 Ų | 41.5 | 17% | 0.174 | 25% | 0.247 | C | C | . | . | trans | -141.2 | 177.9 | 177.2 | 55.4 | 91.1 | 0 | 0 | 0 | 110.1 | W796 P989 L1005 V1014 A1049 R1051 | W796-W1007 HydrophobicContact CB-CH2 4.17Å; W796-W1007 AromaticContact CD1-CH2 3.75Å; W796-W1007 AromaticContact CD2-CH2 3.86Å; W796-W1007 HydrophobicContact CD2-CH2 3.86Å; W796-W1007 HydrophobicContact CD2-CZ3 4.49Å; W796-W1007 AromaticContact CG-CH2 3.66Å; W796-W1007 HydrophobicContact CG-CH2 3.66Å; W796-W1007 HydrophobicContact CG-CZ2 4.33Å; W796-W1007 HydrophobicContact CG-CZ3 4.46Å; P989-W1007 HydrophobicContact CB-CH2 3.67Å; P989-W1007 HydrophobicContact CB-CZ3 3.68Å; P989-W1007 HydrophobicContact CG-CH2 3.53Å; P989-W1007 HydrophobicContact CG-CZ2 4.25Å; P989-W1007 HydrophobicContact CG-CZ3 3.89Å; L1005-W1007 HydrophobicContact CB-CZ3 4.33Å; W1007-V1014 HydrophobicContact CB-CG2 4.09Å; W1007-V1014 HydrophobicContact CD2-CG2 4.32Å; W1007-V1014 HydrophobicContact CE3-CG1 4.2Å; W1007-V1014 HydrophobicContact CE3-CG2 3.92Å; W1007-V1014 HydrophobicContact CG-CG2 4.43Å; W1007-A1049 HydrophobicContact CH2-CB 4.31Å; W1007-A1049 HydrophobicContact CZ2-CB 3.92Å; W1007-R1051 HydrophobicContact CD2-CG 4.25Å; W1007-R1051 HydrophobicContact CG-CG 4.45Å; W1007-R1051 HydrophobicContact CZ2-CG 3.87Å | ||
| 1008 | R | 83.3 | Confident | 89.7 | Confident | 221 Ų | 221 | 44.7 Ų | 44.7 | 83% | 0.834 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -118.6 | 130.8 | 179.8 | -67.8 | -174.4 | 177.4 | -171.8 | 0.1 | 111.2 | G1012 | R1008-G1012 WeakPolarHBondContact O-CA 3.36Å; R1008-G1012 PolarHBondContact O-N 3.47Å |
| 1009 | G | 79.3 | Confident | 89.7 | Confident | 66 Ų | 66 | 46.2 Ų | 46.2 | 68% | 0.68 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -148 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 1010 | T | 71.9 | Confident | 89.6 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -25.9 | 179.3 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | R1051 N1052 | T1010-R1051 CarbonylContact O-C 3.59Å; T1010-R1051 WeakPolarHBondContact O-CA 3.05Å; T1010-R1051 VanDerWaalsContact O-CB 3.25Å; T1010-R1051 WeakPolarHBondContact O-CB 3.05Å; T1010-R1051 WeakPolarHBondContact O-CG 3.42Å; T1010-N1052 CarbonylContact C-O 3.45Å; T1010-N1052 WeakPolarHBondContact CB-OD1 3.47Å; T1010-N1052 WeakPolarHBondContact CG2-OD1 3.43Å; T1010-N1052 PolarHBondContact O-N 3.32Å; T1010-N1052 VanDerWaalsContact O-N 3.12Å; T1010-N1052 PolarHBondContact OG1-O 3.25Å; T1010-N1052 PolarHBondContact OG1-OD1 3.31Å |
| 1011 | A | 73 | Confident | 89.5 | Confident | 47 Ų | 47 | 52.1 Ų | 52.1 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 4.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1052 | A1011-N1052 WeakPolarHBondContact CB-O 3.36Š|
| 1012 | G | 80.1 | Confident | 89.4 | Confident | 11 Ų | 11 | 53 Ų | 53 | 11% | 0.113 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 156.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R1008 R1051 | R1008-G1012 WeakPolarHBondContact O-CA 3.36Å; R1008-G1012 PolarHBondContact O-N 3.47Å; G1012-R1051 PolarHBondContact O-NH2 2.93Å |
| 1013 | P | 86.5 | Confident | 89.3 | Confident | 96 Ų | 96 | 56 Ų | 56 | 62% | 0.623 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 142 | 177.6 | 27.9 | -35.4 | 0 | 0 | 0 | 110.7 | ||
| 1014 | V | 92.6 | Very high | 89.1 | Confident | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 141.5 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L798 I818 L1005 W1007 | L798-V1014 HydrophobicContact CD1-CG1 4.1Å; L798-V1014 HydrophobicContact CD1-CG2 4.37Å; L798-V1014 HydrophobicContact CD2-CG2 4.1Å; I818-V1014 HydrophobicContact CD1-CB 3.69Å; I818-V1014 HydrophobicContact CD1-CG1 3.91Å; I818-V1014 HydrophobicContact CD1-CG2 4.38Å; I818-V1014 HydrophobicContact CG1-CB 4.14Å; I818-V1014 HydrophobicContact CG2-CB 4.47Å; I818-V1014 HydrophobicContact CG2-CG1 4.24Å; L1005-V1014 HydrophobicContact CB-CG1 4.46Å; W1007-V1014 HydrophobicContact CB-CG2 4.09Å; W1007-V1014 HydrophobicContact CD2-CG2 4.32Å; W1007-V1014 HydrophobicContact CE3-CG1 4.2Å; W1007-V1014 HydrophobicContact CE3-CG2 3.92Å; W1007-V1014 HydrophobicContact CG-CG2 4.43Å |
| 1015 | T | 93.6 | Very high | 88.8 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 44% | 0.436 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137.7 | 172.3 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | L1005 S1006 | L1005-T1015 WeakPolarHBondContact CA-O 3.25Å; S1006-T1015 PolarHBondContact N-O 2.77Å; S1006-T1015 PolarHBondContact O-N 3.26Å; S1006-T1015 PolarHBondContact O-OG1 3.07Å; S1006-T1015 PolarHBondContact OG-OG1 3.08Å |
| 1016 | A | 95 | Very high | 88.5 | Confident | 21 Ų | 21 | 63.7 Ų | 63.7 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | L809 I818 H819 F1003 N1004 L1005 | L809-A1016 HydrophobicContact CD2-CB 3.89Å; I818-A1016 HydrophobicContact CG2-CB 3.94Å; H819-A1016 HydrophobicContact CB-CB 4.29Å; F1003-A1016 HydrophobicContact CD1-CB 4.49Å; N1004-A1016 WeakPolarHBondContact O-CA 3.36Å; L1005-A1016 HydrophobicContact CD2-CB 3.63Å |
| 1017 | T | 94.6 | Very high | 88.4 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 118.5 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | F1003 N1004 S1019 | F1003-T1017 CarbonylContact C-O 3.56Å; F1003-T1017 WeakPolarHBondContact CA-O 3.39Å; N1004-T1017 PolarHBondContact N-O 2.91Å; N1004-T1017 PolarHBondContact O-N 2.9Å; N1004-T1017 PolarHBondContact O-OG1 2.9Å; T1017-S1019 PolarHBondContact O-N 2.9Å; T1017-S1019 VanDerWaalsContact O-N 3.13Å; T1017-S1019 PolarHBondContact O-OG 3.13Å |
| 1018 | L | 94.1 | Very high | 88.4 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 46% | 0.461 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 118.3 | 176.9 | -178.5 | 62.4 | 0 | 0 | 0 | 109.6 | L1001 F1003 K1020 | L1001-L1018 HydrophobicContact CB-CD1 3.97Å; L1001-L1018 HydrophobicContact CD2-CD1 4.35Å; F1003-L1018 HydrophobicContact CD1-CB 4Å; F1003-L1018 HydrophobicContact CD2-CD1 4.2Å; F1003-L1018 HydrophobicContact CE1-CB 3.72Å; F1003-L1018 HydrophobicContact CE1-CD1 4.23Å; F1003-L1018 HydrophobicContact CE2-CD1 3.85Å; F1003-L1018 HydrophobicContact CZ-CB 4.17Å; F1003-L1018 HydrophobicContact CZ-CD1 3.86Å; F1003-L1018 HydrophobicContact CZ-CG 4.49Å; L1018-K1020 WeakPolarHBondContact CD1-O 3.42Å |
| 1019 | S | 92.6 | Very high | 88.9 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -20.8 | -173.1 | -72.9 | 0 | 0 | 0 | 0 | 113.4 | A1002 N1004 T1017 | A1002-S1019 PolarHBondContact O-N 3.12Å; N1004-S1019 WeakPolarHBondContact CB-OG 3.35Å; T1017-S1019 PolarHBondContact O-N 2.9Å; T1017-S1019 VanDerWaalsContact O-N 3.13Å; T1017-S1019 PolarHBondContact O-OG 3.13Å |
| 1020 | K | 92.4 | Very high | 89.8 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 145.8 | 172.2 | -52.4 | -76.7 | 172.7 | 149.3 | 0 | 110.8 | I982 A1002 L1018 P1114 L1116 | I982-K1020 HydrophobicContact CG2-CG 4.18Å; I982-K1020 WeakPolarHBondContact O-CE 3.46Å; I982-K1020 PolarHBondContact O-NZ 3.33Å; A1002-K1020 HydrophobicContact CB-CB 4.02Å; A1002-K1020 HydrophobicContact CB-CG 4.43Å; A1002-K1020 PolarHBondContact N-O 2.94Å; A1002-K1020 PolarHBondContact O-N 3.1Å; L1018-K1020 WeakPolarHBondContact CD1-O 3.42Å; K1020-P1114 PolarHBondContact NZ-O 2.88Å; K1020-L1116 HydrophobicContact CB-CD1 3.76Å; K1020-L1116 HydrophobicContact CD-CD1 3.84Å; K1020-L1116 HydrophobicContact CD-CG 4.45Å; K1020-L1116 HydrophobicContact CG-CD1 3.82Å |
| 1021 | E | 92.8 | Very high | 90.9 | Very high | 104 Ų | 104 | 51 Ų | 51 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.9 | 160.7 | 174.8 | 174.1 | -173.7 | 0 | 0 | 108.1 | K999 V1000 L1001 | K999-E1021 VanDerWaalsContact CD-OE1 3.29Å; K999-E1021 WeakPolarHBondContact CD-OE1 3.25Å; K999-E1021 VanDerWaalsContact CE-OE1 3.24Å; K999-E1021 WeakPolarHBondContact CE-OE1 3.13Å; K999-E1021 IonicContact NZ-OE1 2.81Å; K999-E1021 PolarHBondContact NZ-OE1 3.03Å; V1000-E1021 CarbonylContact O-C 3.42Å; V1000-E1021 WeakPolarHBondContact O-CA 3.44Å; L1001-E1021 HydrophobicContact CD2-CB 4Å; L1001-E1021 HydrophobicContact CD2-CG 3.78Å |
| 1022 | L | 93.7 | Very high | 91.9 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 106.1 | 179.8 | 171.9 | 63.8 | 0 | 0 | 0 | 109.3 | K999 V1000 L1100 F1111 | K999-L1022 CarbonylContact C-O 3.56Å; K999-L1022 WeakPolarHBondContact CA-O 3.43Å; V1000-L1022 HydrophobicContact CB-CB 4.38Å; V1000-L1022 PolarHBondContact N-O 2.9Å; V1000-L1022 PolarHBondContact O-N 3.01Å; L1022-L1100 HydrophobicContact CD2-CD2 4.18Å; L1022-F1111 HydrophobicContact CD1-CE1 4.14Å; L1022-F1111 HydrophobicContact CD1-CZ 4.35Å; L1022-F1111 HydrophobicContact CD2-CD1 4.48Å; L1022-F1111 HydrophobicContact CD2-CD2 4.41Å; L1022-F1111 HydrophobicContact CD2-CE1 4.09Å; L1022-F1111 HydrophobicContact CD2-CE2 4Å; L1022-F1111 HydrophobicContact CD2-CZ 3.81Å |
| 1023 | Q | 93.8 | Very high | 92.7 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 126.5 | 172.5 | 176.7 | 65.4 | 80.9 | 0 | 0 | 110.6 | S997 G998 H1027 | S997-Q1023 PolarHBondContact O-NE2 3.14Å; G998-Q1023 PolarHBondContact O-NE2 3.28Å; Q1023-H1027 PolarHBondContact NE2-CE1 3.04Å; Q1023-H1027 PolarHBondContact NE2-ND1 2.97Å; Q1023-H1027 VanDerWaalsContact NE2-ND1 3.12Å |
| 1024 | L | 90.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | trans | -79.4 | 125.8 | 169.2 | -62.7 | -179.6 | 0 | 0 | 0 | 111.3 | G998 H1026 H1027 I1030 L1102 K1109 F1111 | G998-L1024 WeakPolarHBondContact O-CB 3.4Å; G998-L1024 WeakPolarHBondContact O-CG 3.5Å; G998-L1024 PolarHBondContact O-N 2.85Å; L1024-H1026 PolarHBondContact O-N 3.38Å; L1024-H1027 PolarHBondContact O-N 2.81Å; L1024-I1030 HydrophobicContact CD1-CD1 3.39Å; L1024-I1030 HydrophobicContact CG-CD1 4.3Å; L1024-L1102 HydrophobicContact CD1-CD1 4.05Å; L1024-L1102 HydrophobicContact CD1-CD2 3.59Å; L1024-L1102 HydrophobicContact CD1-CG 4.49Å; L1024-L1102 HydrophobicContact CD2-CD1 4.25Å; L1024-L1102 HydrophobicContact CD2-CD2 4.49Å; L1024-L1102 HydrophobicContact CG-CD1 4.44Å; L1024-K1109 HydrophobicContact CD2-CD 4.13Å; L1024-F1111 HydrophobicContact CD2-CZ 4.08Å | ||
| 1025 | H | 89.3 | Confident | 93.2 | Very high | 175 Ų | 175 | 45.5 Ų | 45.5 | 81% | 0.81 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54 | -9.8 | -178.5 | -76.7 | 82.9 | 0 | 0 | 0 | 117.1 | ||
| 1026 | H | 86.9 | Confident | 93.2 | Very high | 22 Ų | 22 | 42.1 Ų | 42.1 | 10% | 0.102 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -5.7 | -177.9 | 61.4 | 112.5 | 0 | 0 | 0 | 112.6 | L1024 S1028 S1104 E1106 Q1107 R1127 | L1024-H1026 PolarHBondContact O-N 3.38Å; H1026-S1028 VanDerWaalsContact CE1-CB 3.48Å; H1026-S1028 WeakPolarHBondContact CE1-CB 3.44Å; H1026-S1028 VanDerWaalsContact ND1-CB 3.28Å; H1026-S1028 WeakPolarHBondContact ND1-CB 3.42Å; H1026-S1028 PolarHBondContact O-N 3.36Å; H1026-S1104 PolarHBondContact CE1-OG 3.27Å; H1026-E1106 IonicContact CE1-OE2 3.08Å; H1026-E1106 IonicContact CG-OE2 3.12Å; H1026-E1106 IonicContact ND1-OE2 2.71Å; H1026-E1106 PolarHBondContact ND1-OE2 2.84Å; H1026-Q1107 PolarHBondContact CD2-NE2 3.49Å; H1026-Q1107 PolarHBondContact NE2-NE2 3.3Å; H1026-R1127 VanDerWaalsContact O-CZ 3.28Å; H1026-R1127 PolarHBondContact O-NH1 2.96Å; H1026-R1127 PolarHBondContact O-NH2 3.03Å |
| 1027 | H | 90 | Very high | 92.9 | Very high | 107 Ų | 107 | 42.3 Ų | 42.3 | 50% | 0.495 | 22% | 0.215 | S | C | . | . | trans | 52.1 | 36.8 | 174.2 | -56 | -94.1 | 0 | 0 | 0 | 114.3 | S997 Q1023 L1024 | S997-H1027 WeakPolarHBondContact O-CA 3.38Å; S997-H1027 PolarHBondContact O-ND1 2.91Å; Q1023-H1027 PolarHBondContact NE2-CE1 3.04Å; Q1023-H1027 PolarHBondContact NE2-ND1 2.97Å; Q1023-H1027 VanDerWaalsContact NE2-ND1 3.12Å; L1024-H1027 PolarHBondContact O-N 2.81Å | ||
| 1028 | S | 91 | Very high | 92.6 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -90.5 | 143.5 | 174.8 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | G998 H1026 I1030 E1105 E1106 | G998-S1028 VanDerWaalsContact CA-O 3.23Å; G998-S1028 WeakPolarHBondContact CA-O 3.3Å; H1026-S1028 VanDerWaalsContact CE1-CB 3.48Å; H1026-S1028 WeakPolarHBondContact CE1-CB 3.44Å; H1026-S1028 VanDerWaalsContact ND1-CB 3.28Å; H1026-S1028 WeakPolarHBondContact ND1-CB 3.42Å; H1026-S1028 PolarHBondContact O-N 3.36Å; S1028-I1030 PolarHBondContact O-N 2.79Å; S1028-E1105 WeakPolarHBondContact OG-CB 3.32Å; S1028-E1106 WeakPolarHBondContact CB-OE2 3.23Å; S1028-E1106 PolarHBondContact OG-N 3.02Å |
| 1029 | P | 94.2 | Very high | 92.3 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 16% | 0.162 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -52.4 | 134.7 | 179.2 | -28.4 | 34.6 | 0 | 0 | 0 | 112.9 | R973 G996 S1104 E1105 | R973-P1029 HydrophobicContact CG-CB 4.49Å; G996-P1029 VanDerWaalsContact O-CA 3.25Å; G996-P1029 WeakPolarHBondContact O-CA 3.46Å; G996-P1029 WeakPolarHBondContact O-CG 3.39Å; P1029-S1104 CarbonylContact O-C 3.53Å; P1029-S1104 WeakPolarHBondContact O-CA 3.18Å; P1029-S1104 WeakPolarHBondContact O-CB 3.46Å; P1029-E1105 HydrophobicContact CB-CG 4.13Å; P1029-E1105 HydrophobicContact CG-CG 4.43Å; P1029-E1105 PolarHBondContact O-N 2.81Å |
| 1030 | I | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 135 | 167.3 | -47.6 | -53.2 | 0 | 0 | 0 | 108 | R973 C974 T995 V1000 L1024 S1028 L1033 L1102 C1103 | R973-I1030 WeakPolarHBondContact CB-O 3.45Å; C974-I1030 WeakPolarHBondContact SG-CG2 3.48Å; T995-I1030 PolarHBondContact O-N 3.08Å; T995-I1030 VanDerWaalsContact O-N 3.07Å; V1000-I1030 HydrophobicContact CG2-CD1 4.08Å; V1000-I1030 HydrophobicContact CG2-CG1 4.01Å; L1024-I1030 HydrophobicContact CD1-CD1 3.39Å; L1024-I1030 HydrophobicContact CG-CD1 4.3Å; S1028-I1030 PolarHBondContact O-N 2.79Å; I1030-L1033 HydrophobicContact CG2-CD2 3.89Å; I1030-L1033 HydrophobicContact CG2-CG 4.04Å; I1030-L1102 HydrophobicContact CD1-CD1 4.1Å; I1030-L1102 HydrophobicContact CD1-CD2 4.22Å; I1030-L1102 HydrophobicContact CD1-CG 4.39Å; I1030-C1103 WeakPolarHBondContact CG2-O 3.48Å |
| 1031 | V | 95 | Very high | 91.7 | Very high | 27 Ų | 27 | 44.4 Ų | 44.4 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -39.8 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | C1103 E1105 V1176 F1179 | V1031-C1103 HydrophobicContact CB-CB 4.5Å; V1031-C1103 PolarHBondContact N-O 3.03Å; V1031-E1105 HydrophobicContact CG2-CB 4.48Å; V1031-E1105 HydrophobicContact CG2-CG 3.73Å; V1031-V1176 HydrophobicContact CG1-CG1 4.43Å; V1031-F1179 HydrophobicContact CG1-CB 4.28Å |
| 1032 | S | 95.9 | Very high | 91.5 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 155.7 | -176.8 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | Y1034 C1103 | S1032-Y1034 VanDerWaalsContact OG-CE2 3.23Å; S1032-Y1034 WeakPolarHBondContact OG-CE2 3.28Å; S1032-C1103 PolarHBondContact N-O 2.91Å; S1032-C1103 PolarHBondContact O-N 3.35Å |
| 1033 | L | 96 | Very high | 91.2 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.9 | 178 | -62.5 | 172.1 | 0 | 0 | 0 | 108.9 | L976 W992 V1000 I1030 L1100 L1102 | L976-L1033 HydrophobicContact CB-CB 4.41Å; L976-L1033 HydrophobicContact CD2-CB 4.16Å; W992-L1033 HydrophobicContact CB-CD1 4.02Å; V1000-L1033 HydrophobicContact CG1-CD1 3.98Å; V1000-L1033 HydrophobicContact CG1-CD2 4.49Å; V1000-L1033 HydrophobicContact CG2-CD1 4.4Å; V1000-L1033 HydrophobicContact CG2-CD2 4.01Å; I1030-L1033 HydrophobicContact CG2-CD2 3.89Å; I1030-L1033 HydrophobicContact CG2-CG 4.04Å; L1033-L1100 HydrophobicContact CD2-CD1 4.39Å; L1033-L1102 HydrophobicContact CD2-CB 4.06Å; L1033-L1102 HydrophobicContact CD2-CD1 3.92Å; L1033-L1102 HydrophobicContact CD2-CG 3.83Å |
| 1034 | Y | 95.2 | Very high | 90.8 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 8% | 0.082 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 143.6 | 170 | -69.6 | -92.1 | 0 | 0 | 0 | 109.9 | S1032 P1043 L1101 F1179 L1181 T1238 | S1032-Y1034 VanDerWaalsContact OG-CE2 3.23Å; S1032-Y1034 WeakPolarHBondContact OG-CE2 3.28Å; Y1034-P1043 HydrophobicContact CD1-CB 4.18Å; Y1034-L1101 PolarHBondContact N-O 3.18Å; Y1034-L1101 PolarHBondContact O-N 2.98Å; Y1034-F1179 HydrophobicContact CD2-CD1 4.32Å; Y1034-F1179 HydrophobicContact CD2-CE1 4.06Å; Y1034-F1179 AromaticContact CE2-CD1 3.96Å; Y1034-F1179 HydrophobicContact CE2-CD1 3.96Å; Y1034-F1179 HydrophobicContact CE2-CE1 4.1Å; Y1034-L1181 HydrophobicContact CD1-CD1 3.62Å; Y1034-L1181 HydrophobicContact CD1-CG 4.17Å; Y1034-L1181 HydrophobicContact CD2-CD1 4.09Å; Y1034-L1181 HydrophobicContact CD2-CG 4.12Å; Y1034-L1181 HydrophobicContact CE1-CB 4.45Å; Y1034-L1181 HydrophobicContact CE1-CD1 4.2Å; Y1034-L1181 HydrophobicContact CE1-CG 4.31Å; Y1034-L1181 HydrophobicContact CE2-CG 4.28Å; Y1034-L1181 HydrophobicContact CG-CD1 3.55Å; Y1034-L1181 HydrophobicContact CG-CG 4.07Å; Y1034-T1238 PolarHBondContact OH-OG1 3.27Å |
| 1035 | I | 94.5 | Very high | 89.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 123.6 | 162.4 | -49.9 | -58 | 0 | 0 | 0 | 107.1 | L976 S978 W992 P1043 I1044 H1098 Q1099 L1100 I1113 | L976-I1035 HydrophobicContact CD2-CD1 4.39Å; L976-I1035 HydrophobicContact CD2-CG1 3.93Å; S978-I1035 WeakPolarHBondContact OG-CB 3.37Å; S978-I1035 WeakPolarHBondContact OG-CG1 3.34Å; W992-I1035 HydrophobicContact CD2-CD1 4.26Å; W992-I1035 HydrophobicContact CZ2-CD1 4.04Å; I1035-P1043 WeakPolarHBondContact O-CA 3.44Å; I1035-I1044 HydrophobicContact CB-CD1 4.38Å; I1035-I1044 HydrophobicContact CG2-CD1 3.64Å; I1035-I1044 HydrophobicContact CG2-CG1 4.36Å; I1035-I1044 PolarHBondContact O-N 3.23Å; I1035-H1098 HydrophobicContact CG2-CB 4.13Å; I1035-Q1099 WeakPolarHBondContact CA-O 3.49Å; I1035-L1100 HydrophobicContact CD1-CB 4.47Å; I1035-L1100 HydrophobicContact CD1-CD1 3.64Å; I1035-I1113 HydrophobicContact CD1-CD1 3.73Å; I1035-I1113 HydrophobicContact CG2-CD1 3.95Å |
| 1036 | I | 93.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 153.9 | 175.7 | 70.8 | 174.8 | 0 | 0 | 0 | 110.7 | G1042 Q1099 L1110 L1181 L1212 | I1036-G1042 CarbonylContact C-O 3.57Å; I1036-G1042 WeakPolarHBondContact CA-O 3.37Å; I1036-G1042 WeakPolarHBondContact CB-O 3.34Å; I1036-Q1099 HydrophobicContact CG1-CB 3.94Å; I1036-Q1099 PolarHBondContact N-O 2.93Å; I1036-Q1099 PolarHBondContact O-N 2.86Å; I1036-L1110 HydrophobicContact CD1-CD1 3.87Å; I1036-L1110 HydrophobicContact CD1-CD2 4.47Å; I1036-L1110 HydrophobicContact CG1-CD1 4.3Å; I1036-L1181 HydrophobicContact CG2-CD1 3.74Å; I1036-L1212 HydrophobicContact CD1-CD1 4.08Å; I1036-L1212 HydrophobicContact CD1-CD2 4.35Å |
| 1037 | D | 89.6 | Confident | 87.4 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 146.5 | 170 | -176.4 | -82.4 | 0 | 0 | 0 | 111.2 | V1039 D1040 H1041 G1042 H1098 | D1037-V1039 VanDerWaalsContact C-N 3.3Å; D1037-V1039 PolarHBondContact O-N 3.16Å; D1037-V1039 WeakPolarHBondContact OD1-CA 3.25Å; D1037-V1039 VanDerWaalsContact OD1-CB 3.28Å; D1037-V1039 WeakPolarHBondContact OD1-CB 3.42Å; D1037-V1039 PolarHBondContact OD1-N 3.3Å; D1037-D1040 PolarHBondContact OD1-N 2.83Å; D1037-H1041 VanDerWaalsContact O-CA 3.24Å; D1037-H1041 WeakPolarHBondContact O-CA 3.44Å; D1037-H1041 PolarHBondContact O-N 3.5Å; D1037-G1042 PolarHBondContact N-O 3.5Å; D1037-H1098 IonicContact OD2-CD2 2.98Å |
| 1038 | A | 88 | Confident | 86.1 | Confident | 27 Ų | 27 | 42.8 Ų | 42.8 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -3.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H1041 I1097 Q1099 | A1038-H1041 PolarHBondContact O-CE1 3Å; A1038-I1097 WeakPolarHBondContact CB-O 3.43Å; A1038-I1097 PolarHBondContact N-O 3.24Å; A1038-Q1099 HydrophobicContact CB-CG 4.16Å |
| 1039 | V | 86.8 | Confident | 85 | Confident | 121 Ų | 121 | 43.6 Ų | 43.6 | 73% | 0.733 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -48.5 | -176.8 | -171.6 | 0 | 0 | 0 | 0 | 111.9 | D1037 | D1037-V1039 VanDerWaalsContact C-N 3.3Å; D1037-V1039 PolarHBondContact O-N 3.16Å; D1037-V1039 WeakPolarHBondContact OD1-CA 3.25Å; D1037-V1039 VanDerWaalsContact OD1-CB 3.28Å; D1037-V1039 WeakPolarHBondContact OD1-CB 3.42Å; D1037-V1039 PolarHBondContact OD1-N 3.3Å |
| 1040 | D | 85.5 | Confident | 84 | Confident | 99 Ų | 99 | 46.5 Ų | 46.5 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -14.5 | 178.1 | 72.8 | 11 | 0 | 0 | 0 | 113.9 | D1037 G1042 | D1037-D1040 PolarHBondContact OD1-N 2.83Å; D1040-G1042 PolarHBondContact O-N 3.07Å; D1040-G1042 WeakPolarHBondContact OD1-CA 3.34Å; D1040-G1042 PolarHBondContact OD1-N 3.42Å |
| 1041 | H | 87.5 | Confident | 83.2 | Confident | 44 Ų | 44 | 46.7 Ų | 46.7 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | trans | 62 | 11.5 | -176.1 | -50.3 | -36.3 | 0 | 0 | 0 | 115.1 | D1037 A1038 W1196 L1212 P1213 | D1037-H1041 VanDerWaalsContact O-CA 3.24Å; D1037-H1041 WeakPolarHBondContact O-CA 3.44Å; D1037-H1041 PolarHBondContact O-N 3.5Å; A1038-H1041 PolarHBondContact O-CE1 3Å; H1041-W1196 WeakPolarHBondContact O-CB 3.33Å; H1041-L1212 HydrophobicContact CB-CB 3.81Å; H1041-L1212 HydrophobicContact CB-CD1 4.29Å; H1041-L1212 VanDerWaalsContact O-CD1 3.31Å; H1041-L1212 WeakPolarHBondContact O-CD1 3.39Å; H1041-P1213 WeakPolarHBondContact NE2-CD 3.3Å | ||
| 1042 | G | 87.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | trans | -80.1 | 148.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1036 D1037 D1040 | I1036-G1042 CarbonylContact C-O 3.57Å; I1036-G1042 WeakPolarHBondContact CA-O 3.37Å; I1036-G1042 WeakPolarHBondContact CB-O 3.34Å; D1037-G1042 PolarHBondContact N-O 3.5Å; D1040-G1042 PolarHBondContact O-N 3.07Å; D1040-G1042 WeakPolarHBondContact OD1-CA 3.34Å; D1040-G1042 PolarHBondContact OD1-N 3.42Å | ||
| 1043 | P | 87.9 | Confident | 79.8 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 8% | 0.078 | 26% | 0.258 | C | S | . | . | B | Isolated β-bridge | trans | -65.9 | 139.1 | 169.3 | 23.5 | -27.7 | 0 | 0 | 0 | 111.8 | Y1034 I1035 M1045 L1181 W1196 | Y1034-P1043 HydrophobicContact CD1-CB 4.18Å; I1035-P1043 WeakPolarHBondContact O-CA 3.44Å; P1043-M1045 HydrophobicContact CB-CE 3.65Å; P1043-M1045 HydrophobicContact CG-CE 3.53Å; P1043-M1045 PolarHBondContact O-N 3.01Å; P1043-M1045 VanDerWaalsContact O-N 3.13Å; P1043-L1181 HydrophobicContact CB-CD1 3.74Å; P1043-L1181 HydrophobicContact CG-CB 4.21Å; P1043-L1181 HydrophobicContact CG-CD1 3.75Å; P1043-W1196 HydrophobicContact CG-CE3 4.2Å; P1043-W1196 HydrophobicContact CG-CH2 4.15Å; P1043-W1196 HydrophobicContact CG-CZ2 4.49Å; P1043-W1196 HydrophobicContact CG-CZ3 4Å |
| 1044 | I | 84.9 | Confident | 77.3 | Confident | 30 Ų | 30 | 51.2 Ų | 51.2 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | trans | -69.2 | 111.1 | -179.5 | -57.5 | -178.7 | 0 | 0 | 0 | 109.7 | I1035 H1098 | I1035-I1044 HydrophobicContact CB-CD1 4.38Å; I1035-I1044 HydrophobicContact CG2-CD1 3.64Å; I1035-I1044 HydrophobicContact CG2-CG1 4.36Å; I1035-I1044 PolarHBondContact O-N 3.23Å; I1044-H1098 WeakPolarHBondContact CD1-CE1 3.27Å; I1044-H1098 WeakPolarHBondContact CD1-ND1 3.39Å | ||
| 1045 | M | 67.8 | Low | 74.7 | Confident | 61 Ų | 61 | 56.7 Ų | 56.7 | 30% | 0.3 | 31% | 0.311 | S | S | . | . | trans | -89.1 | -27.5 | -173.8 | -77.1 | -58.6 | 119.8 | 0 | 0 | 115.6 | P1043 R1239 | P1043-M1045 HydrophobicContact CB-CE 3.65Å; P1043-M1045 HydrophobicContact CG-CE 3.53Å; P1043-M1045 PolarHBondContact O-N 3.01Å; P1043-M1045 VanDerWaalsContact O-N 3.13Å; M1045-R1239 HydrophobicContact CE-CB 4.09Å; M1045-R1239 HydrophobicContact CE-CG 3.55Å; M1045-R1239 HydrophobicContact SD-CB 3.93Å; M1045-R1239 HydrophobicContact SD-CG 3.86Å | ||
| 1046 | H | 59.9 | Low | 71.9 | Confident | 162 Ų | 162 | 64.6 Ų | 64.6 | 75% | 0.75 | 35% | 0.348 | S | S | * | . | trans | -128 | 128.4 | -167.8 | -56.4 | -55.4 | 0 | 0 | 0 | 111.3 | ||||
| 1047 | S | 68.1 | Low | 68.9 | Low | 32 Ų | 32 | 70.6 Ų | 70.6 | 22% | 0.224 | 39% | 0.39 | C | S | . | . | trans | -81.6 | 145.5 | 161.8 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | W796 E979 A1049 | W796-S1047 WeakPolarHBondContact CZ2-OG 3.37Å; W796-S1047 PolarHBondContact NE1-OG 3.46Å; E979-S1047 WeakPolarHBondContact OE2-CA 3.3Å; E979-S1047 WeakPolarHBondContact OE2-CB 3.32Å; E979-S1047 PolarHBondContact OE2-OG 3Å; S1047-A1049 PolarHBondContact OG-N 2.92Å; S1047-A1049 VanDerWaalsContact OG-N 3.11Å; S1047-A1049 PolarHBondContact OG-O 2.93Å | ||
| 1048 | Q | 63.8 | Low | 66.2 | Low | 172 Ų | 172 | 72.2 Ų | 72.2 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -90.5 | -19.3 | 166.3 | -63.7 | -174.8 | -8.1 | 0 | 0 | 111.4 | E979 | E979-Q1048 PolarHBondContact OE2-N 2.84Š|
| 1049 | A | 66.3 | Low | 63.3 | Low | 24 Ų | 24 | 79.9 Ų | 79.9 | 20% | 0.198 | 44% | 0.444 | C | S | . | . | trans | -78.1 | 136 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | W796 E979 P989 W1007 S1047 | W796-A1049 VanDerWaalsContact CD1-O 3.29Å; W796-A1049 PolarHBondContact NE1-O 2.9Å; W796-A1049 VanDerWaalsContact NE1-O 3.14Å; E979-A1049 PolarHBondContact OE2-N 2.85Å; P989-A1049 HydrophobicContact CG-CB 3.91Å; W1007-A1049 HydrophobicContact CH2-CB 4.31Å; W1007-A1049 HydrophobicContact CZ2-CB 3.92Å; S1047-A1049 PolarHBondContact OG-N 2.92Å; S1047-A1049 VanDerWaalsContact OG-N 3.11Å; S1047-A1049 PolarHBondContact OG-O 2.93Å | ||
| 1050 | Y | 73.8 | Confident | 60.6 | Low | 86 Ų | 86 | 79.2 Ų | 79.2 | 34% | 0.337 | 44% | 0.444 | S | S | . | . | trans | -141.6 | 145.4 | -177.1 | -175.5 | -112.9 | 0 | 0 | 0 | 110.7 | R686 S795 N1052 | R686-Y1050 PolarHBondContact NH1-OH 3.47Å; R686-Y1050 VanDerWaalsContact NH1-OH 3.16Å; R686-Y1050 VanDerWaalsContact NH2-CZ 3.27Å; R686-Y1050 PolarHBondContact NH2-OH 3.36Å; S795-Y1050 WeakPolarHBondContact O-CA 3.35Å; S795-Y1050 WeakPolarHBondContact O-CD2 3.4Å; Y1050-N1052 HydrophobicContact CD1-CB 4.32Å; Y1050-N1052 HydrophobicContact CE1-CB 3.91Å | ||
| 1051 | R | 80.5 | Confident | 57.9 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 2% | 0.015 | 46% | 0.458 | C | S | . | . | trans | -115.5 | 129.9 | 175.4 | -71.2 | -179 | 69.9 | -133.8 | 13.7 | 111.6 | R686 S795 W796 D811 D814 W1007 T1010 G1012 | R686-R1051 PolarHBondContact NH2-O 2.88Å; S795-R1051 PolarHBondContact O-N 2.83Å; W796-R1051 WeakPolarHBondContact O-CD 3.5Å; W796-R1051 PolarHBondContact O-NH1 2.68Å; D811-R1051 IonicContact OD1-CZ 3.97Å; D811-R1051 IonicContact OD1-NH1 2.62Å; D811-R1051 PolarHBondContact OD1-NH1 2.85Å; D811-R1051 IonicContact OD1-NH2 3.3Å; D811-R1051 IonicContact OD2-CZ 3.74Å; D811-R1051 IonicContact OD2-NH1 3.54Å; D811-R1051 PolarHBondContact OD2-NH1 3.48Å; D811-R1051 IonicContact OD2-NH2 2.7Å; D811-R1051 PolarHBondContact OD2-NH2 2.76Å; D814-R1051 IonicContact OD2-NH2 3.6Å; W1007-R1051 HydrophobicContact CD2-CG 4.25Å; W1007-R1051 HydrophobicContact CG-CG 4.45Å; W1007-R1051 HydrophobicContact CZ2-CG 3.87Å; T1010-R1051 CarbonylContact O-C 3.59Å; T1010-R1051 WeakPolarHBondContact O-CA 3.05Å; T1010-R1051 VanDerWaalsContact O-CB 3.25Å; T1010-R1051 WeakPolarHBondContact O-CB 3.05Å; T1010-R1051 WeakPolarHBondContact O-CG 3.42Å; G1012-R1051 PolarHBondContact O-NH2 2.93Å | ||
| 1052 | N | 66.1 | Low | 55.3 | Low | 31 Ų | 31 | 87 Ų | 87 | 17% | 0.166 | 48% | 0.483 | C | S | . | . | trans | -138.7 | 158.1 | 179 | 79.6 | 9.9 | 0 | 0 | 0 | 111.7 | R686 T1010 A1011 Y1050 C1054 | R686-N1052 VanDerWaalsContact NH2-CB 3.26Å; T1010-N1052 CarbonylContact C-O 3.45Å; T1010-N1052 WeakPolarHBondContact CB-OD1 3.47Å; T1010-N1052 WeakPolarHBondContact CG2-OD1 3.43Å; T1010-N1052 PolarHBondContact O-N 3.32Å; T1010-N1052 VanDerWaalsContact O-N 3.12Å; T1010-N1052 PolarHBondContact OG1-O 3.25Å; T1010-N1052 PolarHBondContact OG1-OD1 3.31Å; A1011-N1052 WeakPolarHBondContact CB-O 3.36Å; Y1050-N1052 HydrophobicContact CD1-CB 4.32Å; Y1050-N1052 HydrophobicContact CE1-CB 3.91Å; N1052-C1054 PolarHBondContact OD1-O 2.97Å | ||
| 1053 | S | 51.8 | Low | 52.6 | Low | 55 Ų | 55 | 96.2 Ų | 96.2 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | trans | -88.9 | -13 | -177.7 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | V1055 | S1053-V1055 PolarHBondContact O-N 3.2Š| ||
| 1054 | C | 45.3 | Very low | 50.1 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | trans | -77.8 | 115.3 | -173.5 | -66.3 | 0 | 0 | 0 | 0 | 110.2 | N1052 E1056 | N1052-C1054 PolarHBondContact OD1-O 2.97Å; C1054-E1056 PolarHBondContact O-N 2.85Å | ||
| 1055 | V | 38.7 | Very low | 47.4 | Very low | 136 Ų | 136 | 111 Ų | 111 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | trans | -61.5 | 121.9 | 168.3 | 178.2 | 0 | 0 | 0 | 0 | 108.6 | S1053 S1057 | S1053-V1055 PolarHBondContact O-N 3.2Å; V1055-S1057 PolarHBondContact O-N 2.84Å; V1055-S1057 VanDerWaalsContact O-N 3.15Å | ||
| 1056 | E | 36 | Very low | 45.6 | Very low | 171 Ų | 171 | 113.2 Ų | 113.2 | 80% | 0.799 | 61% | 0.611 | S | S | * | * | trans | -56.5 | 119.2 | 173.7 | -68.4 | -176.1 | 138.8 | 0 | 0 | 110.2 | C1054 G1058 | C1054-E1056 PolarHBondContact O-N 2.85Å; E1056-G1058 PolarHBondContact O-N 2.9Å | ||
| 1057 | S | 31.5 | Very low | 44.3 | Very low | 125 Ų | 125 | 112.5 Ų | 112.5 | 87% | 0.874 | 62% | 0.618 | S | S | * | * | trans | -79.8 | 61.7 | -173.8 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | V1055 | V1055-S1057 PolarHBondContact O-N 2.84Å; V1055-S1057 VanDerWaalsContact O-N 3.15Å | ||
| 1058 | G | 31.6 | Very low | 42.7 | Very low | 60 Ų | 60 | 119.4 Ų | 119.4 | 62% | 0.619 | 65% | 0.647 | S | S | * | * | trans | 64.9 | 120 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | E1056 S1060 | E1056-G1058 PolarHBondContact O-N 2.9Å; G1058-S1060 PolarHBondContact O-N 2.92Å | ||
| 1059 | E | 28.6 | Very low | 41.2 | Very low | 189 Ų | 189 | 116.5 Ų | 116.5 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | trans | -54.2 | 99.5 | 173.4 | -64.1 | -177.8 | 121.2 | 0 | 0 | 113.1 | N1061 | E1059-N1061 PolarHBondContact O-N 2.84Å; E1059-N1061 VanDerWaalsContact O-N 3.11Å | ||
| 1060 | S | 30.2 | Very low | 39.5 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | trans | -73.1 | 101.8 | 169.2 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | G1058 E1062 | G1058-S1060 PolarHBondContact O-N 2.92Å; S1060-E1062 PolarHBondContact O-N 2.91Å | ||
| 1061 | N | 28.7 | Very low | 37.7 | Very low | 153 Ų | 153 | 124 Ų | 124 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 89.1 | 174.8 | -98.7 | -97.3 | 0 | 0 | 0 | 111.5 | E1059 | E1059-N1061 PolarHBondContact O-N 2.84Å; E1059-N1061 VanDerWaalsContact O-N 3.11Å | ||
| 1062 | E | 33.2 | Very low | 35.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | trans | -108.7 | 118.5 | 166.8 | -71.1 | -129.6 | 143.6 | 0 | 0 | 111.3 | S1060 Q1064 | S1060-E1062 PolarHBondContact O-N 2.91Å; E1062-Q1064 PolarHBondContact OE2-NE2 2.8Å; E1062-Q1064 VanDerWaalsContact OE2-NE2 3.15Å | ||
| 1063 | K | 30 | Very low | 34.3 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | trans | -92.1 | 115.6 | 164.1 | -70.7 | 177 | 178.1 | 175.7 | 0 | 108.7 | ||||
| 1064 | Q | 34.4 | Very low | 33.4 | Very low | 158 Ų | 158 | 136 Ų | 136 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -130.6 | 112 | 157 | -58.1 | -175.2 | 18.4 | 0 | 0 | 104.6 | E1062 | E1062-Q1064 PolarHBondContact OE2-NE2 2.8Å; E1062-Q1064 VanDerWaalsContact OE2-NE2 3.15Å | ||
| 1065 | E | 29.7 | Very low | 32.8 | Very low | 195 Ų | 195 | 141.6 Ų | 141.6 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | 65.5 | 131.9 | 50 | -158.9 | 159.6 | -116.3 | 0 | 0 | 112.3 | |||||
| 1066 | S | 28.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -109.4 | 132.6 | -147.8 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1067 | T | 32.5 | Very low | 32.6 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | -150.6 | 137.1 | 157.4 | -4.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1068 | Q | 34.4 | Very low | 32.5 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -101.6 | 157.5 | 165 | -82.6 | -171.2 | -27 | 0 | 0 | 110.7 | ||||
| 1069 | P | 34.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | -124.8 | 146.2 | 116 | 36.7 | -30.7 | 0 | 0 | 0 | 110.5 | |||||
| 1070 | S | 29.9 | Very low | 32.9 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | cis | 65.6 | 130.5 | 49.7 | 81.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1071 | E | 34.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | -149.8 | 125.8 | 24.1 | -64 | 175.2 | 137.2 | 0 | 0 | 114.2 | ||||
| 1072 | T | 33.2 | Very low | 33.3 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | 36.6 | -174.5 | 127.6 | 64.1 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1073 | P | 42.1 | Very low | 33.3 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | -142.5 | -169.1 | -98 | 44.9 | -23.6 | 0 | 0 | 0 | 117.4 | |||||
| 1074 | A | 34.6 | Very low | 33.3 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -154.3 | 107.3 | 152.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1075 | E | 32.6 | Very low | 33.3 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | 64.3 | 99.4 | 94.2 | -66.1 | -155.8 | 150.3 | 0 | 0 | 114.8 | |||||
| 1076 | V | 33.7 | Very low | 33.4 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | 91.4 | 144.9 | 78 | 156.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 1077 | P | 36.9 | Very low | 33.5 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -113.5 | 165.4 | 12.7 | 18.8 | 5.8 | 0 | 0 | 0 | 114.9 | ||||
| 1078 | M | 29.4 | Very low | 33.5 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | cis | 81.5 | 88.9 | 41.7 | -81.7 | -88.4 | -156.6 | 0 | 0 | 116.5 | ||||
| 1079 | D | 36.3 | Very low | 33.1 | Very low | 173 Ų | 173 | 135.1 Ų | 135.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -160.9 | 151.2 | 140.7 | -151.7 | 32.4 | 0 | 0 | 0 | 107.7 | ||||
| 1080 | G | 32.4 | Very low | 33 | Very low | 69 Ų | 69 | 136.2 Ų | 136.2 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | cis | 175.5 | 36.4 | 3.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1081 | G | 35.5 | Very low | 32.9 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -143.4 | 131.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1082 | K | 29.8 | Very low | 32.7 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | -97.4 | 145.1 | 168.9 | -63.2 | 173.6 | -178.7 | 173.4 | 0 | 109.2 | ||||
| 1083 | D | 34.2 | Very low | 32.6 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | -149.6 | 171 | 123.7 | -108.4 | -36.9 | 0 | 0 | 0 | 110.5 | |||||
| 1084 | T | 30.8 | Very low | 32.7 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | -134 | 100.9 | -166.4 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1085 | E | 33.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -119.7 | 141.6 | 170.4 | -67.5 | -152.6 | 132.4 | 0 | 0 | 112.6 | ||||
| 1086 | T | 32.1 | Very low | 34.6 | Very low | 113 Ų | 113 | 131.3 Ų | 131.3 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -77.9 | 156.8 | 179 | 46.9 | 0 | 0 | 0 | 0 | 111.5 | I1088 | T1086-I1088 PolarHBondContact O-N 2.92Š| ||
| 1087 | P | 31.1 | Very low | 36.9 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | trans | -63.4 | 101.5 | 172.4 | 27.4 | -34.3 | 0 | 0 | 0 | 110.3 | ||||
| 1088 | I | 32.2 | Very low | 39.5 | Very low | 129 Ų | 129 | 123 Ų | 123 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | trans | -70.8 | 131.9 | 174.1 | -65.2 | 174.8 | 0 | 0 | 0 | 108.2 | T1086 | T1086-I1088 PolarHBondContact O-N 2.92Š| ||
| 1089 | Q | 27.1 | Very low | 42.5 | Very low | 166 Ų | 166 | 115.7 Ų | 115.7 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | trans | -62.3 | 137.2 | 175.8 | -61.8 | 174.3 | -58 | 0 | 0 | 109.8 | T1091 | Q1089-T1091 PolarHBondContact O-N 3.32Š| ||
| 1090 | P | 30.9 | Very low | 45.4 | Very low | 133 Ų | 133 | 107.4 Ų | 107.4 | 86% | 0.864 | 63% | 0.629 | S | S | * | * | trans | -63.8 | 107.8 | 176.5 | 26.1 | -33.4 | 0 | 0 | 0 | 109.9 | ||||
| 1091 | T | 28 | Very low | 48.4 | Very low | 116 Ų | 116 | 104.1 Ų | 104.1 | 71% | 0.712 | 60% | 0.595 | S | S | * | * | trans | -71.3 | 133.7 | 175.4 | 42.2 | 0 | 0 | 0 | 0 | 110 | Q1089 T1093 | Q1089-T1091 PolarHBondContact O-N 3.32Å; T1091-T1093 PolarHBondContact O-N 3.08Å | ||
| 1092 | S | 30.3 | Very low | 51.3 | Low | 122 Ų | 122 | 100.4 Ų | 100.4 | 85% | 0.853 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -79 | 73 | -162.7 | 58 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1093 | T | 31 | Very low | 54.5 | Low | 120 Ų | 120 | 91.2 Ų | 91.2 | 74% | 0.736 | 52% | 0.517 | S | S | * | . | trans | -148 | 58.5 | 177.8 | 50.8 | 0 | 0 | 0 | 0 | 115.6 | T1091 | T1091-T1093 PolarHBondContact O-N 3.08Š| ||
| 1094 | T | 44.9 | Very low | 57.5 | Low | 130 Ų | 130 | 83.2 Ų | 83.2 | 80% | 0.798 | 47% | 0.474 | S | S | * | . | trans | -161.9 | 95.5 | 158 | 23.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1095 | Q | 51.3 | Low | 60.5 | Low | 121 Ų | 121 | 79 Ų | 79 | 57% | 0.565 | 45% | 0.445 | S | S | * | . | trans | -113 | -10.8 | 173 | -79.2 | -171.1 | -51 | 0 | 0 | 114.4 | I1097 | Q1095-I1097 PolarHBondContact O-N 2.95Š| ||
| 1096 | D | 55.9 | Low | 63.4 | Low | 76 Ų | 76 | 71.7 Ų | 71.7 | 41% | 0.406 | 41% | 0.411 | S | S | . | . | trans | -92.6 | 71.9 | -179.9 | -73.2 | 32.9 | 0 | 0 | 0 | 110.6 | S1112 I1113 S1115 | D1096-S1112 WeakPolarHBondContact OD2-CB 3.43Å; D1096-S1112 PolarHBondContact OD2-OG 3.09Å; D1096-I1113 WeakPolarHBondContact CA-O 3.34Å; D1096-S1115 WeakPolarHBondContact OD2-CB 3.26Å; D1096-S1115 PolarHBondContact OD2-OG 3.23Å | ||
| 1097 | I | 80.8 | Confident | 66.3 | Low | 62 Ų | 62 | 67 Ų | 67 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | trans | -89.4 | -23 | -178.9 | -57.8 | 176.9 | 0 | 0 | 0 | 112.4 | Y981 A1038 Q1095 | Y981-I1097 HydrophobicContact CE2-CB 4.11Å; A1038-I1097 WeakPolarHBondContact CB-O 3.43Å; A1038-I1097 PolarHBondContact N-O 3.24Å; Q1095-I1097 PolarHBondContact O-N 2.95Å | ||
| 1098 | H | 91.4 | Very high | 69.4 | Low | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 159.2 | 178.7 | -63.7 | 174.5 | 0 | 0 | 0 | 112.4 | T980 Y981 R987 I1035 D1037 I1044 I1113 | T980-H1098 PolarHBondContact OG1-ND1 2.87Å; Y981-H1098 HydrophobicContact CD2-CB 4.24Å; Y981-H1098 AromaticContact CD2-CE1 3.76Å; Y981-H1098 AromaticContact CD2-CG 3.68Å; Y981-H1098 AromaticContact CD2-ND1 3.48Å; Y981-H1098 WeakPolarHBondContact CD2-ND1 3.41Å; Y981-H1098 AromaticContact CE2-CD2 3.71Å; Y981-H1098 AromaticContact CE2-CE1 3.48Å; Y981-H1098 VanDerWaalsContact CE2-CE1 3.48Å; Y981-H1098 WeakPolarHBondContact CE2-CE1 3.48Å; Y981-H1098 AromaticContact CE2-CG 3.8Å; Y981-H1098 AromaticContact CE2-ND1 3.66Å; Y981-H1098 AromaticContact CE2-NE2 3.47Å; Y981-H1098 WeakPolarHBondContact CE2-NE2 3.48Å; R987-H1098 PolarHBondContact NE-CE1 3.03Å; R987-H1098 PolarHBondContact NE-NE2 2.85Å; R987-H1098 PolarHBondContact NH2-NE2 2.84Å; I1035-H1098 HydrophobicContact CG2-CB 4.13Å; D1037-H1098 IonicContact OD2-CD2 2.98Å; I1044-H1098 WeakPolarHBondContact CD1-CE1 3.27Å; I1044-H1098 WeakPolarHBondContact CD1-ND1 3.39Å; H1098-I1113 HydrophobicContact CB-CB 4.1Å; H1098-I1113 HydrophobicContact CB-CD1 4.12Å; H1098-I1113 HydrophobicContact CB-CG2 4.39Å; H1098-I1113 WeakPolarHBondContact O-CB 3.24Å; H1098-I1113 PolarHBondContact O-N 2.89Å |
| 1099 | Q | 94.2 | Very high | 72.5 | Confident | 26 Ų | 26 | 55.9 Ų | 55.9 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 139.5 | 177.3 | -59.7 | 176.3 | 7.2 | 0 | 0 | 111.2 | I1035 I1036 A1038 L1110 F1111 | I1035-Q1099 WeakPolarHBondContact CA-O 3.49Å; I1036-Q1099 HydrophobicContact CG1-CB 3.94Å; I1036-Q1099 PolarHBondContact N-O 2.93Å; I1036-Q1099 PolarHBondContact O-N 2.86Å; A1038-Q1099 HydrophobicContact CB-CG 4.16Å; Q1099-L1110 HydrophobicContact CB-CD1 3.73Å; Q1099-L1110 HydrophobicContact CB-CG 4.23Å; Q1099-L1110 VanDerWaalsContact OE1-CD2 3.22Å; Q1099-F1111 CarbonylContact C-O 3.51Å; Q1099-F1111 WeakPolarHBondContact CA-O 3.47Å; Q1099-F1111 WeakPolarHBondContact CB-O 3.28Å |
| 1100 | L | 95.3 | Very high | 75.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.1 | 173.2 | 174.6 | 69.7 | 0 | 0 | 0 | 108.2 | W992 L1022 L1033 I1035 L1110 F1111 I1113 L1116 | W992-L1100 HydrophobicContact CD2-CD1 4.44Å; W992-L1100 HydrophobicContact CE3-CD1 3.98Å; W992-L1100 HydrophobicContact CE3-CD2 4.17Å; W992-L1100 HydrophobicContact CZ3-CD1 4.16Å; W992-L1100 HydrophobicContact CZ3-CD2 3.78Å; W992-L1100 HydrophobicContact CZ3-CG 4.48Å; L1022-L1100 HydrophobicContact CD2-CD2 4.18Å; L1033-L1100 HydrophobicContact CD2-CD1 4.39Å; I1035-L1100 HydrophobicContact CD1-CB 4.47Å; I1035-L1100 HydrophobicContact CD1-CD1 3.64Å; L1100-L1110 WeakPolarHBondContact O-CA 3.32Å; L1100-F1111 HydrophobicContact CB-CB 4.34Å; L1100-F1111 HydrophobicContact CD2-CD2 4.31Å; L1100-F1111 PolarHBondContact N-O 3.49Å; L1100-F1111 PolarHBondContact O-N 2.95Å; L1100-I1113 HydrophobicContact CB-CD1 3.92Å; L1100-I1113 HydrophobicContact CB-CG1 4.11Å; L1100-L1116 HydrophobicContact CD2-CD2 4.25Å |
| 1101 | L | 96.4 | Very high | 78.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 124.4 | 168 | 179.6 | 65.9 | 0 | 0 | 0 | 109.1 | Y1034 V1108 L1110 F1179 L1181 A1198 L1212 L1215 | Y1034-L1101 PolarHBondContact N-O 3.18Å; Y1034-L1101 PolarHBondContact O-N 2.98Å; L1101-V1108 HydrophobicContact CD1-CG1 3.69Å; L1101-L1110 HydrophobicContact CB-CD1 3.85Å; L1101-L1110 HydrophobicContact CD1-CD1 4.11Å; L1101-F1179 HydrophobicContact CD2-CE1 4.07Å; L1101-F1179 HydrophobicContact CD2-CZ 4Å; L1101-F1179 HydrophobicContact CG-CE1 4.33Å; L1101-F1179 HydrophobicContact CG-CZ 4.24Å; L1101-L1181 HydrophobicContact CD2-CD1 4.15Å; L1101-L1181 HydrophobicContact CD2-CD2 3.57Å; L1101-L1181 HydrophobicContact CD2-CG 4.18Å; L1101-A1198 HydrophobicContact CD2-CB 4.27Å; L1101-L1212 HydrophobicContact CD1-CD2 4.3Å; L1101-L1212 HydrophobicContact CD2-CD2 4.17Å; L1101-L1215 HydrophobicContact CD1-CD2 3.86Å |
| 1102 | L | 96.3 | Very high | 81.8 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.4 | -177.5 | 179.5 | 153.3 | 0 | 0 | 0 | 109.9 | V1000 L1024 I1030 L1033 V1108 K1109 F1111 | V1000-L1102 HydrophobicContact CG2-CD1 3.65Å; L1024-L1102 HydrophobicContact CD1-CD1 4.05Å; L1024-L1102 HydrophobicContact CD1-CD2 3.59Å; L1024-L1102 HydrophobicContact CD1-CG 4.49Å; L1024-L1102 HydrophobicContact CD2-CD1 4.25Å; L1024-L1102 HydrophobicContact CD2-CD2 4.49Å; L1024-L1102 HydrophobicContact CG-CD1 4.44Å; I1030-L1102 HydrophobicContact CD1-CD1 4.1Å; I1030-L1102 HydrophobicContact CD1-CD2 4.22Å; I1030-L1102 HydrophobicContact CD1-CG 4.39Å; L1033-L1102 HydrophobicContact CD2-CB 4.06Å; L1033-L1102 HydrophobicContact CD2-CD1 3.92Å; L1033-L1102 HydrophobicContact CD2-CG 3.83Å; L1102-V1108 CarbonylContact O-C 3.57Å; L1102-V1108 VanDerWaalsContact O-CA 3.32Å; L1102-V1108 WeakPolarHBondContact O-CA 3.4Å; L1102-V1108 VanDerWaalsContact O-CG1 3.3Å; L1102-V1108 WeakPolarHBondContact O-CG1 3.4Å; L1102-K1109 PolarHBondContact N-O 2.89Å; L1102-K1109 PolarHBondContact O-N 3.21Å; L1102-F1111 HydrophobicContact CB-CE2 4.32Å; L1102-F1111 HydrophobicContact CD1-CE2 4.33Å |
| 1103 | C | 97.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.4 | 166.7 | -168.9 | 0 | 0 | 0 | 0 | 111 | I1030 V1031 S1032 F1179 | I1030-C1103 WeakPolarHBondContact CG2-O 3.48Å; V1031-C1103 HydrophobicContact CB-CB 4.5Å; V1031-C1103 PolarHBondContact N-O 3.03Å; S1032-C1103 PolarHBondContact N-O 2.91Å; S1032-C1103 PolarHBondContact O-N 3.35Å; C1103-F1179 HydrophobicContact CB-CB 4.01Å; C1103-F1179 HydrophobicContact CB-CD1 3.53Å; C1103-F1179 HydrophobicContact CB-CD2 3.68Å; C1103-F1179 HydrophobicContact CB-CE1 3.77Å; C1103-F1179 HydrophobicContact CB-CE2 3.91Å; C1103-F1179 HydrophobicContact CB-CG 3.46Å; C1103-F1179 VanDerWaalsContact CB-CG 3.46Å; C1103-F1179 HydrophobicContact CB-CZ 3.93Å; C1103-F1179 WeakPolarHBondContact SG-CD2 3.42Å; C1103-F1179 VanDerWaalsContact SG-CG 3.57Å |
| 1104 | S | 96.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 163.8 | 170.5 | 63 | 0 | 0 | 0 | 0 | 109.8 | H1026 P1029 E1106 Q1107 | H1026-S1104 PolarHBondContact CE1-OG 3.27Å; P1029-S1104 CarbonylContact O-C 3.53Å; P1029-S1104 WeakPolarHBondContact O-CA 3.18Å; P1029-S1104 WeakPolarHBondContact O-CB 3.46Å; S1104-E1106 PolarHBondContact O-N 3.15Å; S1104-Q1107 PolarHBondContact N-O 3.2Å; S1104-Q1107 PolarHBondContact O-N 2.76Å; S1104-Q1107 PolarHBondContact OG-N 3.46Å; S1104-Q1107 PolarHBondContact OG-O 3.44Å |
| 1105 | E | 94.2 | Very high | 89.5 | Confident | 37 Ų | 37 | 23 Ų | 23 | 17% | 0.173 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -54.9 | -22.9 | -178.9 | -76.2 | -171.5 | 176.5 | 0 | 0 | 114.3 | S1028 P1029 V1031 R1175 V1176 | S1028-E1105 WeakPolarHBondContact OG-CB 3.32Å; P1029-E1105 HydrophobicContact CB-CG 4.13Å; P1029-E1105 HydrophobicContact CG-CG 4.43Å; P1029-E1105 PolarHBondContact O-N 2.81Å; V1031-E1105 HydrophobicContact CG2-CB 4.48Å; V1031-E1105 HydrophobicContact CG2-CG 3.73Å; E1105-R1175 HydrophobicContact CB-CG 3.96Å; E1105-R1175 VanDerWaalsContact CD-CD 3.44Å; E1105-R1175 HydrophobicContact CG-CG 4.03Å; E1105-R1175 WeakPolarHBondContact O-CA 3.43Å; E1105-R1175 IonicContact OE1-NH1 2.65Å; E1105-R1175 WeakPolarHBondContact OE2-CD 3.27Å; E1105-R1175 IonicContact OE2-NH1 3.21Å; E1105-V1176 PolarHBondContact O-N 2.95Å |
| 1106 | E | 93.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 18.6 Ų | 18.6 | 11% | 0.112 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -106.1 | -29.5 | 179.2 | -69.7 | -177.6 | 135.3 | 0 | 0 | 116.1 | H1026 S1028 S1104 F1124 I1125 R1127 | H1026-E1106 IonicContact CE1-OE2 3.08Å; H1026-E1106 IonicContact CG-OE2 3.12Å; H1026-E1106 IonicContact ND1-OE2 2.71Å; H1026-E1106 PolarHBondContact ND1-OE2 2.84Å; S1028-E1106 WeakPolarHBondContact CB-OE2 3.23Å; S1028-E1106 PolarHBondContact OG-N 3.02Å; S1104-E1106 PolarHBondContact O-N 3.15Å; E1106-F1124 PolarHBondContact O-N 2.76Å; E1106-I1125 HydrophobicContact CB-CB 4.19Å; E1106-I1125 HydrophobicContact CG-CB 4.08Å; E1106-I1125 HydrophobicContact CG-CD1 3.98Å; E1106-I1125 HydrophobicContact CG-CG2 4.28Å; E1106-I1125 PolarHBondContact O-N 3.19Å; E1106-R1127 IonicContact OE1-CZ 2.75Å; E1106-R1127 VanDerWaalsContact OE1-CZ 3.27Å; E1106-R1127 IonicContact OE1-NE 2.76Å; E1106-R1127 PolarHBondContact OE1-NE 2.77Å; E1106-R1127 IonicContact OE1-NH2 2.6Å; E1106-R1127 PolarHBondContact OE1-NH2 3.19Å; E1106-R1127 IonicContact OE2-CZ 3.49Å; E1106-R1127 IonicContact OE2-NE 2.69Å; E1106-R1127 PolarHBondContact OE2-NE 2.78Å; E1106-R1127 IonicContact OE2-NH2 3.75Å; E1106-R1127 PolarHBondContact OE2-NH2 3.42Å |
| 1107 | Q | 94 | Very high | 93 | Very high | 15 Ų | 15 | 21.3 Ų | 21.3 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 157.8 | -169.8 | 62.7 | 172.6 | 14.4 | 0 | 0 | 114.1 | H1026 S1104 H1122 K1123 | H1026-Q1107 PolarHBondContact CD2-NE2 3.49Å; H1026-Q1107 PolarHBondContact NE2-NE2 3.3Å; S1104-Q1107 PolarHBondContact N-O 3.2Å; S1104-Q1107 PolarHBondContact O-N 2.76Å; S1104-Q1107 PolarHBondContact OG-N 3.46Å; S1104-Q1107 PolarHBondContact OG-O 3.44Å; Q1107-H1122 CarbonylContact C-O 3.54Å; Q1107-H1122 VanDerWaalsContact CA-O 3.31Å; Q1107-H1122 WeakPolarHBondContact CA-O 3.2Å; Q1107-H1122 WeakPolarHBondContact CB-O 3.31Å; Q1107-K1123 HydrophobicContact CB-CG 4.09Å |
| 1108 | V | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.4 | 171.8 | -170.8 | 0 | 0 | 0 | 0 | 109 | L1101 L1102 K1121 H1122 F1124 F1179 L1210 L1215 | L1101-V1108 HydrophobicContact CD1-CG1 3.69Å; L1102-V1108 CarbonylContact O-C 3.57Å; L1102-V1108 VanDerWaalsContact O-CA 3.32Å; L1102-V1108 WeakPolarHBondContact O-CA 3.4Å; L1102-V1108 VanDerWaalsContact O-CG1 3.3Å; L1102-V1108 WeakPolarHBondContact O-CG1 3.4Å; V1108-K1121 VanDerWaalsContact O-CA 3.31Å; V1108-K1121 WeakPolarHBondContact O-CA 3.5Å; V1108-H1122 PolarHBondContact N-O 3.12Å; V1108-H1122 PolarHBondContact O-N 3.02Å; V1108-F1124 HydrophobicContact CG2-CE2 3.65Å; V1108-F1124 HydrophobicContact CG2-CZ 4.13Å; V1108-F1179 HydrophobicContact CG1-CE2 4.17Å; V1108-F1179 HydrophobicContact CG1-CZ 4.01Å; V1108-F1179 HydrophobicContact CG2-CE2 3.88Å; V1108-L1210 HydrophobicContact CB-CD1 3.92Å; V1108-L1210 HydrophobicContact CG1-CD1 4.3Å; V1108-L1210 HydrophobicContact CG2-CD1 3.6Å; V1108-L1215 HydrophobicContact CB-CD1 4.23Å; V1108-L1215 HydrophobicContact CG1-CD1 3.87Å; V1108-L1215 HydrophobicContact CG1-CD2 3.87Å |
| 1109 | K | 95.8 | Very high | 93.4 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 10% | 0.104 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148 | 177.5 | -91.5 | 174.2 | 164.4 | -79.5 | 0 | 110.8 | L1024 L1102 F1111 Y1120 K1121 E1402 | L1024-K1109 HydrophobicContact CD2-CD 4.13Å; L1102-K1109 PolarHBondContact N-O 2.89Å; L1102-K1109 PolarHBondContact O-N 3.21Å; K1109-F1111 HydrophobicContact CB-CD2 4.28Å; K1109-F1111 HydrophobicContact CB-CE2 3.58Å; K1109-F1111 HydrophobicContact CB-CZ 4.07Å; K1109-F1111 HydrophobicContact CD-CE2 4.19Å; K1109-F1111 HydrophobicContact CD-CZ 3.8Å; K1109-F1111 HydrophobicContact CG-CE2 4.44Å; K1109-F1111 HydrophobicContact CG-CZ 4.47Å; K1109-Y1120 WeakPolarHBondContact CA-O 3.16Å; K1109-K1121 HydrophobicContact CG-CB 3.75Å; K1109-E1402 VanDerWaalsContact NZ-CD 3.33Å; K1109-E1402 IonicContact NZ-OE1 2.57Å; K1109-E1402 PolarHBondContact NZ-OE1 3.31Å; K1109-E1402 IonicContact NZ-OE2 3.46Å; K1109-E1402 PolarHBondContact NZ-OE2 3.49Å |
| 1110 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.7 | 174.8 | -170.9 | 61.3 | 0 | 0 | 0 | 109.1 | I1036 Q1099 L1100 L1101 V1119 Y1120 P1213 L1215 | I1036-L1110 HydrophobicContact CD1-CD1 3.87Å; I1036-L1110 HydrophobicContact CD1-CD2 4.47Å; I1036-L1110 HydrophobicContact CG1-CD1 4.3Å; Q1099-L1110 HydrophobicContact CB-CD1 3.73Å; Q1099-L1110 HydrophobicContact CB-CG 4.23Å; Q1099-L1110 VanDerWaalsContact OE1-CD2 3.22Å; L1100-L1110 WeakPolarHBondContact O-CA 3.32Å; L1101-L1110 HydrophobicContact CB-CD1 3.85Å; L1101-L1110 HydrophobicContact CD1-CD1 4.11Å; L1110-V1119 PolarHBondContact O-N 2.75Å; L1110-Y1120 HydrophobicContact CD2-CD2 4.29Å; L1110-Y1120 PolarHBondContact N-O 2.87Å; L1110-Y1120 PolarHBondContact O-N 2.97Å; L1110-P1213 HydrophobicContact CD2-CB 3.63Å; L1110-P1213 WeakPolarHBondContact CD2-O 3.42Å; L1110-L1215 HydrophobicContact CB-CD1 4.01Å; L1110-L1215 HydrophobicContact CB-CG 4.44Å |
| 1111 | F | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 22 Ų | 22 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 147.5 | -178.3 | -56.2 | -103.1 | 0 | 0 | 0 | 110.9 | L1022 L1024 Q1099 L1100 L1102 K1109 L1116 R1117 P1118 | L1022-F1111 HydrophobicContact CD1-CE1 4.14Å; L1022-F1111 HydrophobicContact CD1-CZ 4.35Å; L1022-F1111 HydrophobicContact CD2-CD1 4.48Å; L1022-F1111 HydrophobicContact CD2-CD2 4.41Å; L1022-F1111 HydrophobicContact CD2-CE1 4.09Å; L1022-F1111 HydrophobicContact CD2-CE2 4Å; L1022-F1111 HydrophobicContact CD2-CZ 3.81Å; L1024-F1111 HydrophobicContact CD2-CZ 4.08Å; Q1099-F1111 CarbonylContact C-O 3.51Å; Q1099-F1111 WeakPolarHBondContact CA-O 3.47Å; Q1099-F1111 WeakPolarHBondContact CB-O 3.28Å; L1100-F1111 HydrophobicContact CB-CB 4.34Å; L1100-F1111 HydrophobicContact CD2-CD2 4.31Å; L1100-F1111 PolarHBondContact N-O 3.49Å; L1100-F1111 PolarHBondContact O-N 2.95Å; L1102-F1111 HydrophobicContact CB-CE2 4.32Å; L1102-F1111 HydrophobicContact CD1-CE2 4.33Å; K1109-F1111 HydrophobicContact CB-CD2 4.28Å; K1109-F1111 HydrophobicContact CB-CE2 3.58Å; K1109-F1111 HydrophobicContact CB-CZ 4.07Å; K1109-F1111 HydrophobicContact CD-CE2 4.19Å; K1109-F1111 HydrophobicContact CD-CZ 3.8Å; K1109-F1111 HydrophobicContact CG-CE2 4.44Å; K1109-F1111 HydrophobicContact CG-CZ 4.47Å; F1111-L1116 WeakPolarHBondContact CD1-O 3.29Å; F1111-R1117 CarbonylContact C-O 3.58Å; F1111-R1117 WeakPolarHBondContact CA-O 3.07Å; F1111-P1118 HydrophobicContact CD1-CB 3.91Å; F1111-P1118 HydrophobicContact CE1-CB 3.92Å |
| 1112 | S | 92.6 | Very high | 93.1 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 149.9 | 170.8 | 50.6 | 0 | 0 | 0 | 0 | 112 | D1096 S1115 L1116 R1117 | D1096-S1112 WeakPolarHBondContact OD2-CB 3.43Å; D1096-S1112 PolarHBondContact OD2-OG 3.09Å; S1112-S1115 WeakPolarHBondContact CB-OG 3.47Å; S1112-S1115 PolarHBondContact OG-OG 2.91Å; S1112-L1116 WeakPolarHBondContact O-CA 3.24Å; S1112-L1116 PolarHBondContact O-N 3.01Å; S1112-R1117 PolarHBondContact N-O 2.96Å; S1112-R1117 PolarHBondContact OG-O 2.75Å |
| 1113 | I | 90.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.6 | -179.6 | -62.8 | 176.4 | 0 | 0 | 0 | 107.7 | Y981 I1035 D1096 H1098 L1100 | Y981-I1113 WeakPolarHBondContact O-CG2 3.46Å; I1035-I1113 HydrophobicContact CD1-CD1 3.73Å; I1035-I1113 HydrophobicContact CG2-CD1 3.95Å; D1096-I1113 WeakPolarHBondContact CA-O 3.34Å; H1098-I1113 HydrophobicContact CB-CB 4.1Å; H1098-I1113 HydrophobicContact CB-CD1 4.12Å; H1098-I1113 HydrophobicContact CB-CG2 4.39Å; H1098-I1113 WeakPolarHBondContact O-CB 3.24Å; H1098-I1113 PolarHBondContact O-N 2.89Å; L1100-I1113 HydrophobicContact CB-CD1 3.92Å; L1100-I1113 HydrophobicContact CB-CG1 4.11Å |
| 1114 | P | 88.9 | Confident | 92.5 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.4 | -7.2 | 6.7 | 29.9 | -37.1 | 0 | 0 | 0 | 115.6 | Y981 K1020 L1116 | Y981-P1114 VanDerWaalsContact O-CA 3.27Å; Y981-P1114 WeakPolarHBondContact O-CA 3.45Å; Y981-P1114 WeakPolarHBondContact O-CB 3.45Å; K1020-P1114 PolarHBondContact NZ-O 2.88Å; P1114-L1116 VanDerWaalsContact C-N 3.31Å; P1114-L1116 PolarHBondContact O-N 2.86Å |
| 1115 | S | 89.1 | Confident | 92 | Very high | 59 Ų | 59 | 28.3 Ų | 28.3 | 41% | 0.413 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -19.1 | -164 | 55 | 0 | 0 | 0 | 0 | 115.3 | D1096 S1112 R1117 | D1096-S1115 WeakPolarHBondContact OD2-CB 3.26Å; D1096-S1115 PolarHBondContact OD2-OG 3.23Å; S1112-S1115 WeakPolarHBondContact CB-OG 3.47Å; S1112-S1115 PolarHBondContact OG-OG 2.91Å; S1115-R1117 PolarHBondContact O-N 2.96Å |
| 1116 | L | 90.2 | Very high | 90.7 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.147 | 16% | 0.157 | C | C | . | . | trans | 49.2 | 30.1 | -172.1 | -64 | -172.7 | 0 | 0 | 0 | 114.2 | W992 K1020 L1100 F1111 S1112 P1114 | W992-L1116 HydrophobicContact CH2-CD2 4.15Å; W992-L1116 HydrophobicContact CZ3-CD2 4.21Å; K1020-L1116 HydrophobicContact CB-CD1 3.76Å; K1020-L1116 HydrophobicContact CD-CD1 3.84Å; K1020-L1116 HydrophobicContact CD-CG 4.45Å; K1020-L1116 HydrophobicContact CG-CD1 3.82Å; L1100-L1116 HydrophobicContact CD2-CD2 4.25Å; F1111-L1116 WeakPolarHBondContact CD1-O 3.29Å; S1112-L1116 WeakPolarHBondContact O-CA 3.24Å; S1112-L1116 PolarHBondContact O-N 3.01Å; P1114-L1116 VanDerWaalsContact C-N 3.31Å; P1114-L1116 PolarHBondContact O-N 2.86Å | ||
| 1117 | R | 90 | Very high | 89.2 | Confident | 133 Ų | 133 | 36.6 Ų | 36.6 | 50% | 0.502 | 18% | 0.175 | S | C | . | . | trans | -81.3 | 129.9 | 177.2 | -172 | -176.7 | -172.3 | 168.1 | 6.9 | 110 | F1111 S1112 S1115 V1119 | F1111-R1117 CarbonylContact C-O 3.58Å; F1111-R1117 WeakPolarHBondContact CA-O 3.07Å; S1112-R1117 PolarHBondContact N-O 2.96Å; S1112-R1117 PolarHBondContact OG-O 2.75Å; S1115-R1117 PolarHBondContact O-N 2.96Å; R1117-V1119 PolarHBondContact O-N 2.93Å | ||
| 1118 | P | 89.9 | Confident | 87 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.5 | 175.5 | 26.8 | -33.6 | 0 | 0 | 0 | 111.2 | F1111 E1400 E1402 | F1111-P1118 HydrophobicContact CD1-CB 3.91Å; F1111-P1118 HydrophobicContact CE1-CB 3.92Å; P1118-E1400 WeakPolarHBondContact CG-OE1 3.44Å; P1118-E1402 HydrophobicContact CB-CG 4.29Å |
| 1119 | V | 90.7 | Very high | 84.4 | Confident | 43 Ų | 43 | 54 Ų | 54 | 26% | 0.261 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -52 | -177.4 | -163.5 | 0 | 0 | 0 | 0 | 110.6 | L1110 R1117 K1403 | L1110-V1119 PolarHBondContact O-N 2.75Å; R1117-V1119 PolarHBondContact O-N 2.93Å; V1119-K1403 PolarHBondContact O-N 2.56Å |
| 1120 | Y | 93.5 | Very high | 81.7 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 10% | 0.102 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.2 | -179.7 | -65 | -89.5 | 0 | 0 | 0 | 111.1 | K1109 L1110 P1213 N1214 K1403 | K1109-Y1120 WeakPolarHBondContact CA-O 3.16Å; L1110-Y1120 HydrophobicContact CD2-CD2 4.29Å; L1110-Y1120 PolarHBondContact N-O 2.87Å; L1110-Y1120 PolarHBondContact O-N 2.97Å; Y1120-P1213 WeakPolarHBondContact CD2-O 3.15Å; Y1120-P1213 HydrophobicContact CE2-CB 4.41Å; Y1120-P1213 HydrophobicContact CE2-CG 4.4Å; Y1120-N1214 HydrophobicContact CD1-CB 4.42Å; Y1120-N1214 WeakPolarHBondContact CD1-O 3.45Å; Y1120-N1214 HydrophobicContact CE1-CB 4.13Å; Y1120-N1214 PolarHBondContact OH-OD1 2.94Å; Y1120-K1403 CarbonylContact C-O 3.51Å; Y1120-K1403 WeakPolarHBondContact CA-O 3.35Å; Y1120-K1403 HydrophobicContact CD1-CB 3.61Å; Y1120-K1403 HydrophobicContact CD1-CD 3.83Å; Y1120-K1403 HydrophobicContact CD1-CG 4.4Å; Y1120-K1403 HydrophobicContact CE1-CB 3.9Å; Y1120-K1403 HydrophobicContact CE1-CD 3.19Å; Y1120-K1403 HydrophobicContact CE1-CG 4.2Å; Y1120-K1403 HydrophobicContact CG-CB 4.44Å; Y1120-K1403 PolarHBondContact OH-NZ 2.77Å |
| 1121 | K | 93.2 | Very high | 78.7 | Confident | 18 Ų | 18 | 68.3 Ų | 68.3 | 8% | 0.078 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.2 | 167 | 64.3 | 172.6 | -179.8 | -74.8 | 0 | 113.2 | V1108 K1109 E1402 K1403 V1404 D1405 | V1108-K1121 VanDerWaalsContact O-CA 3.31Å; V1108-K1121 WeakPolarHBondContact O-CA 3.5Å; K1109-K1121 HydrophobicContact CG-CB 3.75Å; K1121-E1402 WeakPolarHBondContact CB-OE1 3.27Å; K1121-E1402 HydrophobicContact CD-CG 4.48Å; K1121-E1402 WeakPolarHBondContact CD-OE2 3.35Å; K1121-E1402 WeakPolarHBondContact CE-OE2 3.35Å; K1121-E1402 HydrophobicContact CG-CG 4.17Å; K1121-E1402 WeakPolarHBondContact CG-OE1 3.31Å; K1121-E1402 VanDerWaalsContact NZ-CD 3.26Å; K1121-E1402 IonicContact NZ-OE2 2.62Å; K1121-E1402 PolarHBondContact NZ-OE2 3.28Å; K1121-K1403 PolarHBondContact N-O 2.78Å; K1121-V1404 HydrophobicContact CD-CG2 4.17Å; K1121-V1404 HydrophobicContact CG-CB 4.31Å; K1121-V1404 HydrophobicContact CG-CG1 4.19Å; K1121-V1404 HydrophobicContact CG-CG2 3.86Å; K1121-V1404 WeakPolarHBondContact O-CA 3.43Å; K1121-D1405 PolarHBondContact O-N 3.45Å |
| 1122 | H | 93.8 | Very high | 75.6 | Confident | 15 Ų | 15 | 71.3 Ų | 71.3 | 7% | 0.069 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 137.8 | 168 | -178.8 | 56.2 | 0 | 0 | 0 | 110.2 | Q1107 V1108 F1124 L1210 L1215 D1405 | Q1107-H1122 CarbonylContact C-O 3.54Å; Q1107-H1122 VanDerWaalsContact CA-O 3.31Å; Q1107-H1122 WeakPolarHBondContact CA-O 3.2Å; Q1107-H1122 WeakPolarHBondContact CB-O 3.31Å; V1108-H1122 PolarHBondContact N-O 3.12Å; V1108-H1122 PolarHBondContact O-N 3.02Å; H1122-F1124 AromaticContact CD2-CE1 3.64Å; H1122-F1124 AromaticContact CD2-CZ 3.89Å; H1122-F1124 AromaticContact NE2-CD1 3.78Å; H1122-F1124 AromaticContact NE2-CE1 3.62Å; H1122-L1210 HydrophobicContact CB-CD1 3.99Å; H1122-L1210 WeakPolarHBondContact CD2-CD2 3.2Å; H1122-L1215 HydrophobicContact CB-CB 4.06Å; H1122-L1215 WeakPolarHBondContact CB-O 3.47Å; H1122-D1405 IonicContact CE1-OD1 2.68Å; H1122-D1405 IonicContact CG-OD1 3.46Å; H1122-D1405 IonicContact ND1-OD1 3.49Å; H1122-D1405 PolarHBondContact ND1-OD1 3.46Å |
| 1123 | K | 92.2 | Very high | 72.5 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 34% | 0.339 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.1 | 179.5 | -70 | -169.4 | 170.6 | -163.7 | 0 | 112.7 | Q1107 D1126 | Q1107-K1123 HydrophobicContact CB-CG 4.09Å; K1123-D1126 IonicContact NZ-OD1 2.68Å |
| 1124 | F | 88.9 | Confident | 69.5 | Low | 19 Ų | 19 | 82.5 Ų | 82.5 | 8% | 0.083 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -90 | -31.4 | 167 | -58.3 | -66 | 0 | 0 | 0 | 112 | E1106 V1108 H1122 V1176 A1200 L1202 A1208 L1210 | E1106-F1124 PolarHBondContact O-N 2.76Å; V1108-F1124 HydrophobicContact CG2-CE2 3.65Å; V1108-F1124 HydrophobicContact CG2-CZ 4.13Å; H1122-F1124 AromaticContact CD2-CE1 3.64Å; H1122-F1124 AromaticContact CD2-CZ 3.89Å; H1122-F1124 AromaticContact NE2-CD1 3.78Å; H1122-F1124 AromaticContact NE2-CE1 3.62Å; F1124-V1176 HydrophobicContact CD2-CG2 3.22Å; F1124-V1176 HydrophobicContact CE2-CG2 3.36Å; F1124-V1176 HydrophobicContact CG-CG2 4.14Å; F1124-V1176 HydrophobicContact CZ-CG2 4.37Å; F1124-A1200 HydrophobicContact CE1-CB 4.47Å; F1124-A1200 HydrophobicContact CE2-CB 4.18Å; F1124-A1200 HydrophobicContact CZ-CB 3.65Å; F1124-L1202 HydrophobicContact CD1-CD1 4.42Å; F1124-L1202 HydrophobicContact CD1-CD2 4.15Å; F1124-L1202 HydrophobicContact CD2-CD2 4.47Å; F1124-L1202 HydrophobicContact CE1-CD2 4.4Å; F1124-L1202 HydrophobicContact CG-CD2 4.18Å; F1124-A1208 HydrophobicContact CE1-CB 4.08Å; F1124-L1210 HydrophobicContact CE1-CD2 4.48Å; F1124-L1210 HydrophobicContact CZ-CD1 4.1Å |
| 1125 | I | 84.7 | Confident | 66.6 | Low | 22 Ų | 22 | 87.8 Ų | 87.8 | 11% | 0.113 | 45% | 0.453 | C | S | . | . | trans | -120.3 | 131.6 | -176.8 | -67.6 | 171.5 | 0 | 0 | 0 | 111.1 | E1106 N1172 K1174 | E1106-I1125 HydrophobicContact CB-CB 4.19Å; E1106-I1125 HydrophobicContact CG-CB 4.08Å; E1106-I1125 HydrophobicContact CG-CD1 3.98Å; E1106-I1125 HydrophobicContact CG-CG2 4.28Å; E1106-I1125 PolarHBondContact O-N 3.19Å; I1125-N1172 HydrophobicContact CD1-CB 3.83Å; I1125-K1174 HydrophobicContact CG1-CB 4.01Å | ||
| 1126 | D | 66.5 | Low | 63.5 | Low | 107 Ų | 107 | 90.5 Ų | 90.5 | 57% | 0.572 | 47% | 0.468 | S | S | * | . | trans | -113.7 | 99.7 | 179.1 | -123.3 | -17.6 | 0 | 0 | 0 | 110.9 | K1123 L1128 | K1123-D1126 IonicContact NZ-OD1 2.68Å; D1126-L1128 PolarHBondContact O-N 2.73Å | ||
| 1127 | R | 62.1 | Low | 60.5 | Low | 129 Ų | 129 | 94.8 Ų | 94.8 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -62.2 | -14.1 | -177.6 | -68 | -169.8 | -180 | -179 | 3.6 | 114.5 | H1026 E1106 R1129 M1130 | H1026-R1127 VanDerWaalsContact O-CZ 3.28Å; H1026-R1127 PolarHBondContact O-NH1 2.96Å; H1026-R1127 PolarHBondContact O-NH2 3.03Å; E1106-R1127 IonicContact OE1-CZ 2.75Å; E1106-R1127 VanDerWaalsContact OE1-CZ 3.27Å; E1106-R1127 IonicContact OE1-NE 2.76Å; E1106-R1127 PolarHBondContact OE1-NE 2.77Å; E1106-R1127 IonicContact OE1-NH2 2.6Å; E1106-R1127 PolarHBondContact OE1-NH2 3.19Å; E1106-R1127 IonicContact OE2-CZ 3.49Å; E1106-R1127 IonicContact OE2-NE 2.69Å; E1106-R1127 PolarHBondContact OE2-NE 2.78Å; E1106-R1127 IonicContact OE2-NH2 3.75Å; E1106-R1127 PolarHBondContact OE2-NH2 3.42Å; R1127-R1129 PolarHBondContact O-N 2.87Å; R1127-M1130 PolarHBondContact O-N 2.98Å |
| 1128 | L | 49.4 | Very low | 57.4 | Low | 158 Ų | 158 | 91.5 Ų | 91.5 | 83% | 0.827 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -61.9 | -11.7 | -175 | -85.7 | 165.9 | 0 | 0 | 0 | 115.8 | D1126 | D1126-L1128 PolarHBondContact O-N 2.73Š|
| 1129 | R | 41.1 | Very low | 54.3 | Low | 222 Ų | 222 | 96.1 Ų | 96.1 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -95.1 | -12.6 | 176.4 | -74.5 | -172.7 | 173.6 | -174.1 | -2.3 | 115.4 | R1127 L1131 | R1127-R1129 PolarHBondContact O-N 2.87Å; R1129-L1131 PolarHBondContact O-N 3.31Å |
| 1130 | M | 39.3 | Very low | 51.2 | Low | 139 Ų | 139 | 97.2 Ų | 97.2 | 69% | 0.685 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -76.4 | -19.6 | -169.2 | -67.3 | -57.3 | -65.8 | 0 | 0 | 115.1 | R1127 G1132 | R1127-M1130 PolarHBondContact O-N 2.98Å; M1130-G1132 PolarHBondContact O-N 2.94Å |
| 1131 | L | 32.3 | Very low | 48.1 | Very low | 185 Ų | 185 | 101.8 Ų | 101.8 | 97% | 0.969 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -78.9 | 0.9 | 179.3 | -85 | 163.1 | 0 | 0 | 0 | 114.6 | R1129 | R1129-L1131 PolarHBondContact O-N 3.31Š|
| 1132 | G | 28 | Very low | 45 | Very low | 70 Ų | 70 | 106.9 Ų | 106.9 | 72% | 0.722 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -102.4 | -12.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1130 S1134 | M1130-G1132 PolarHBondContact O-N 2.94Å; G1132-S1134 PolarHBondContact O-N 2.97Å |
| 1133 | M | 28.9 | Very low | 41.8 | Very low | 146 Ų | 146 | 111.4 Ų | 111.4 | 72% | 0.719 | 67% | 0.669 | S | S | * | * | trans | -94.1 | 84.8 | -174.7 | -69.9 | -174.1 | 68.7 | 0 | 0 | 111.5 | V1135 | M1133-V1135 PolarHBondContact O-N 3.36Å; M1133-V1135 VanDerWaalsContact O-N 3.09Å | ||
| 1134 | S | 26.3 | Very low | 38.5 | Very low | 104 Ų | 104 | 115.5 Ų | 115.5 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -62.7 | 107.2 | 159.2 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | G1132 T1136 | G1132-S1134 PolarHBondContact O-N 2.97Å; S1134-T1136 PolarHBondContact O-N 3.14Å | ||
| 1135 | V | 27.7 | Very low | 35.6 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 84.3 | 172.3 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | M1133 S1137 | M1133-V1135 PolarHBondContact O-N 3.36Å; M1133-V1135 VanDerWaalsContact O-N 3.09Å; V1135-S1137 PolarHBondContact O-N 2.76Å; V1135-S1137 VanDerWaalsContact O-N 3.09Å | ||
| 1136 | T | 24.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | trans | -63.6 | 109.4 | 163 | 50 | 0 | 0 | 0 | 0 | 107.5 | S1134 G1138 | S1134-T1136 PolarHBondContact O-N 3.14Å; T1136-G1138 PolarHBondContact O-N 3.18Å | ||
| 1137 | S | 26.4 | Very low | 31 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -67.8 | 70.6 | 169.8 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | V1135 A1139 | V1135-S1137 PolarHBondContact O-N 2.76Å; V1135-S1137 VanDerWaalsContact O-N 3.09Å; S1137-A1139 PolarHBondContact O-N 3.13Å; S1137-A1139 VanDerWaalsContact O-N 3.08Å | ||
| 1138 | G | 25.4 | Very low | 29.2 | Very low | 65 Ų | 65 | 134.6 Ų | 134.6 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 97.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T1136 G1140 | T1136-G1138 PolarHBondContact O-N 3.18Å; G1138-G1140 PolarHBondContact O-N 2.86Å | ||
| 1139 | A | 25.2 | Very low | 28.3 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | -67.2 | 75 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | S1137 | S1137-A1139 PolarHBondContact O-N 3.13Å; S1137-A1139 VanDerWaalsContact O-N 3.08Å | ||
| 1140 | G | 26.4 | Very low | 27.7 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -104.7 | 100.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1138 | G1138-G1140 PolarHBondContact O-N 2.86Š| ||
| 1141 | S | 27.2 | Very low | 26.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -77.5 | 117.9 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1142 | T | 27.7 | Very low | 26.8 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -140.1 | 128 | 167.2 | 47.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1143 | S | 26.7 | Very low | 26.6 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | 51.9 | 106.1 | 156.3 | 54.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1144 | K | 23.9 | Very low | 26.6 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 145.6 | 148.3 | -66.8 | 169.7 | 155.7 | -172.5 | 0 | 111.1 | E1146 | K1144-E1146 HydrophobicContact CB-CG 4.17Å; K1144-E1146 HydrophobicContact CD-CG 3.79Å; K1144-E1146 WeakPolarHBondContact CD-OE1 3.31Å; K1144-E1146 IonicContact NZ-OE1 2.76Å; K1144-E1146 PolarHBondContact NZ-OE1 2.84Å |
| 1145 | P | 28.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 126.2 | 135.3 | 32.7 | -25.1 | 0 | 0 | 0 | 109.2 | ||
| 1146 | E | 22.9 | Very low | 26.4 | Very low | 148 Ų | 148 | 131.9 Ų | 131.9 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 118.1 | 172.3 | -68.2 | -179.4 | 148.5 | 0 | 0 | 109.7 | K1144 | K1144-E1146 HydrophobicContact CB-CG 4.17Å; K1144-E1146 HydrophobicContact CD-CG 3.79Å; K1144-E1146 WeakPolarHBondContact CD-OE1 3.31Å; K1144-E1146 IonicContact NZ-OE1 2.76Å; K1144-E1146 PolarHBondContact NZ-OE1 2.84Å |
| 1147 | K | 31.4 | Very low | 26.4 | Very low | 205 Ų | 205 | 132.8 Ų | 132.8 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -142.6 | 126.5 | 154 | -95 | -163.7 | 171.1 | -169.5 | 0 | 108.4 | ||||
| 1148 | E | 24.3 | Very low | 26.4 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -74 | 136.5 | 170.2 | -64.3 | 159.7 | 115.7 | 0 | 0 | 109.3 | ||||
| 1149 | V | 29.4 | Very low | 26.4 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -135.4 | 135.3 | 152.7 | -179.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 1150 | T | 29.5 | Very low | 26.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | trans | -71.1 | 153.1 | -171 | -27.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1151 | E | 23.2 | Very low | 26.4 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 126.9 | 165.8 | -60.3 | 175.2 | 131 | 0 | 0 | 110.6 | ||||
| 1152 | E | 29.1 | Very low | 26.2 | Very low | 199 Ų | 199 | 141.5 Ų | 141.5 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | trans | -133.1 | 147.4 | 144 | -77.5 | -157.8 | 138.2 | 0 | 0 | 108.4 | ||||
| 1153 | A | 24.6 | Very low | 26.1 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | trans | -116.5 | 142.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1154 | G | 27.7 | Very low | 26 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | -163.3 | 123.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1155 | D | 25.1 | Very low | 25.9 | Very low | 160 Ų | 160 | 143.4 Ų | 143.4 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -66.1 | 133.5 | -169.8 | -71.9 | -66.4 | 0 | 0 | 0 | 114.6 | ||||
| 1156 | A | 26.1 | Very low | 25.9 | Very low | 88 Ų | 88 | 142.3 Ų | 142.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -150.8 | 70.7 | 158 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1158 | A1156-V1158 VanDerWaalsContact C-N 3.27Å; A1156-V1158 PolarHBondContact O-N 2.86Å | ||
| 1157 | V | 24 | Very low | 26.2 | Very low | 136 Ų | 136 | 141 Ų | 141 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 80.2 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1158 | V | 26.9 | Very low | 26.3 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -75.4 | 127.3 | 159.4 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | A1156 E1160 | A1156-V1158 VanDerWaalsContact C-N 3.27Å; A1156-V1158 PolarHBondContact O-N 2.86Å; V1158-E1160 PolarHBondContact O-N 3.23Å | ||
| 1159 | G | 25.2 | Very low | 27 | Very low | 66 Ų | 66 | 131.4 Ų | 131.4 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | -71.3 | 94.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111 | S1161 | G1159-S1161 PolarHBondContact O-N 2.92Š| ||
| 1160 | E | 24.2 | Very low | 28 | Very low | 186 Ų | 186 | 133 Ų | 133 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -62 | 104.6 | 167.3 | -68.7 | -166.6 | 139.6 | 0 | 0 | 109.3 | V1158 E1162 | V1158-E1160 PolarHBondContact O-N 3.23Å; E1160-E1162 PolarHBondContact O-N 2.91Å | ||
| 1161 | S | 26.7 | Very low | 29.7 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -53.2 | 131.7 | 166.4 | -69.3 | 0 | 0 | 0 | 0 | 109.1 | G1159 V1163 | G1159-S1161 PolarHBondContact O-N 2.92Å; S1161-V1163 WeakPolarHBondContact O-CG2 2.95Å; S1161-V1163 PolarHBondContact O-N 2.7Å | ||
| 1162 | E | 23 | Very low | 32.3 | Very low | 183 Ų | 183 | 124.2 Ų | 124.2 | 86% | 0.855 | 73% | 0.725 | S | S | * | * | trans | -56.3 | 93 | -168.9 | -170.5 | 172.9 | -157.1 | 0 | 0 | 112.1 | E1160 V1164 | E1160-E1162 PolarHBondContact O-N 2.91Å; E1162-V1164 VanDerWaalsContact C-N 3.3Å; E1162-V1164 PolarHBondContact O-N 2.87Å | ||
| 1163 | V | 25.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 117 Ų | 117 | 69% | 0.685 | 70% | 0.696 | S | S | * | * | trans | -70.2 | 92.8 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | S1161 Y1165 | S1161-V1163 WeakPolarHBondContact O-CG2 2.95Å; S1161-V1163 PolarHBondContact O-N 2.7Å; V1163-Y1165 VanDerWaalsContact O-CD2 3.31Å; V1163-Y1165 WeakPolarHBondContact O-CD2 3.46Å; V1163-Y1165 PolarHBondContact O-N 3Å | ||
| 1164 | V | 24.3 | Very low | 37.5 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | trans | -55.3 | 106.5 | 176.2 | 178.4 | 0 | 0 | 0 | 0 | 108.4 | E1162 V1166 | E1162-V1164 VanDerWaalsContact C-N 3.3Å; E1162-V1164 PolarHBondContact O-N 2.87Å; V1164-V1166 PolarHBondContact O-N 3.38Å | ||
| 1165 | Y | 23.2 | Very low | 40.4 | Very low | 215 Ų | 215 | 116.9 Ų | 116.9 | 84% | 0.843 | 65% | 0.652 | S | S | * | * | trans | -67.1 | 79.7 | 175.9 | -85.5 | -94.1 | 0 | 0 | 0 | 109.8 | V1163 N1167 | V1163-Y1165 VanDerWaalsContact O-CD2 3.31Å; V1163-Y1165 WeakPolarHBondContact O-CD2 3.46Å; V1163-Y1165 PolarHBondContact O-N 3Å; Y1165-N1167 PolarHBondContact O-N 2.8Å | ||
| 1166 | V | 28 | Very low | 43.7 | Very low | 107 Ų | 107 | 109.4 Ų | 109.4 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | trans | -53.1 | 116.8 | 165.5 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | V1164 T1168 | V1164-V1166 PolarHBondContact O-N 3.38Å; V1166-T1168 WeakPolarHBondContact O-CG2 3.48Å; V1166-T1168 PolarHBondContact O-N 2.97Å | ||
| 1167 | N | 28 | Very low | 46.8 | Very low | 120 Ų | 120 | 107.4 Ų | 107.4 | 64% | 0.642 | 59% | 0.59 | S | S | * | * | trans | -63.8 | 94.8 | -165.3 | -171.5 | -17.2 | 0 | 0 | 0 | 111.1 | Y1165 S1169 | Y1165-N1167 PolarHBondContact O-N 2.8Å; N1167-S1169 PolarHBondContact O-N 2.93Å; N1167-S1169 WeakPolarHBondContact OD1-CB 3.31Å; N1167-S1169 PolarHBondContact OD1-OG 3.17Å | ||
| 1168 | T | 34.3 | Very low | 50 | Low | 109 Ų | 109 | 101.3 Ų | 101.3 | 67% | 0.669 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -65.9 | -7.5 | -168.6 | 40.3 | 0 | 0 | 0 | 0 | 114.1 | V1166 Q1170 I1171 | V1166-T1168 WeakPolarHBondContact O-CG2 3.48Å; V1166-T1168 PolarHBondContact O-N 2.97Å; T1168-Q1170 PolarHBondContact O-N 2.91Å; T1168-I1171 HydrophobicContact CG2-CD1 4.31Å; T1168-I1171 PolarHBondContact O-N 3.33Å |
| 1169 | S | 38.5 | Very low | 53.3 | Low | 91 Ų | 91 | 96.3 Ų | 96.3 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -61.5 | -6 | 178.7 | 64.2 | 0 | 0 | 0 | 0 | 116 | N1167 | N1167-S1169 PolarHBondContact O-N 2.93Å; N1167-S1169 WeakPolarHBondContact OD1-CB 3.31Å; N1167-S1169 PolarHBondContact OD1-OG 3.17Å |
| 1170 | Q | 52.1 | Low | 56.6 | Low | 175 Ų | 175 | 93.1 Ų | 93.1 | 82% | 0.818 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -120.6 | -5.4 | -179.9 | -61 | -165.9 | 10.7 | 0 | 0 | 116 | T1168 N1172 | T1168-Q1170 PolarHBondContact O-N 2.91Å; Q1170-N1172 PolarHBondContact O-N 3.19Å |
| 1171 | I | 64.7 | Low | 59.9 | Low | 74 Ų | 74 | 84.3 Ų | 84.3 | 38% | 0.379 | 45% | 0.449 | S | S | . | . | trans | -76.1 | 119.4 | -175.3 | -50.9 | -178.5 | 0 | 0 | 0 | 110.2 | T1168 P1173 L1203 | T1168-I1171 HydrophobicContact CG2-CD1 4.31Å; T1168-I1171 PolarHBondContact O-N 3.33Å; I1171-P1173 WeakPolarHBondContact O-CD 3.36Å; I1171-L1203 HydrophobicContact CG2-CD2 3.44Å; I1171-L1203 VanDerWaalsContact CG2-CD2 3.44Å | ||
| 1172 | N | 77.2 | Confident | 63 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 34% | 0.337 | 42% | 0.415 | S | S | . | . | trans | -75.2 | 123.2 | -176.6 | -166.5 | -42.4 | 0 | 0 | 0 | 111.3 | I1125 Q1170 K1174 R1175 | I1125-N1172 HydrophobicContact CD1-CB 3.83Å; Q1170-N1172 PolarHBondContact O-N 3.19Å; N1172-K1174 PolarHBondContact O-N 2.78Å; N1172-K1174 VanDerWaalsContact O-N 3.12Å; N1172-K1174 PolarHBondContact OD1-N 3.17Å; N1172-R1175 WeakPolarHBondContact O-CB 3.21Å; N1172-R1175 PolarHBondContact O-N 3.29Å | ||
| 1173 | P | 78.4 | Confident | 66.1 | Low | 49 Ų | 49 | 71.2 Ų | 71.2 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.4 | -179.2 | 23 | -33.5 | 0 | 0 | 0 | 114.1 | I1171 R1175 D1204 Y1227 | I1171-P1173 WeakPolarHBondContact O-CD 3.36Å; P1173-R1175 VanDerWaalsContact C-N 3.32Å; P1173-D1204 HydrophobicContact CB-CB 3.88Å; P1173-D1204 WeakPolarHBondContact O-CB 2.96Å; P1173-D1204 PolarHBondContact O-N 2.83Å; P1173-Y1227 HydrophobicContact CB-CE1 4.2Å |
| 1174 | K | 84.4 | Confident | 68.9 | Low | 105 Ų | 105 | 66 Ų | 66 | 46% | 0.457 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 10.1 | 177.6 | -62.4 | -178 | -178.9 | 177.7 | 0 | 113.9 | I1125 N1172 | I1125-K1174 HydrophobicContact CG1-CB 4.01Å; N1172-K1174 PolarHBondContact O-N 2.78Å; N1172-K1174 VanDerWaalsContact O-N 3.12Å; N1172-K1174 PolarHBondContact OD1-N 3.17Å |
| 1175 | R | 89.5 | Confident | 71.5 | Confident | 76 Ų | 76 | 64.6 Ų | 64.6 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | trans | -61.1 | 134.3 | 173.4 | 170.7 | 167.3 | 70.9 | 158.8 | 5 | 110.2 | E1105 N1172 P1173 L1202 L1203 | E1105-R1175 HydrophobicContact CB-CG 3.96Å; E1105-R1175 VanDerWaalsContact CD-CD 3.44Å; E1105-R1175 HydrophobicContact CG-CG 4.03Å; E1105-R1175 WeakPolarHBondContact O-CA 3.43Å; E1105-R1175 IonicContact OE1-NH1 2.65Å; E1105-R1175 WeakPolarHBondContact OE2-CD 3.27Å; E1105-R1175 IonicContact OE2-NH1 3.21Å; N1172-R1175 WeakPolarHBondContact O-CB 3.21Å; N1172-R1175 PolarHBondContact O-N 3.29Å; P1173-R1175 VanDerWaalsContact C-N 3.32Å; R1175-L1202 CarbonylContact O-C 3.59Å; R1175-L1202 VanDerWaalsContact O-CA 3.28Å; R1175-L1202 WeakPolarHBondContact O-CA 3.46Å; R1175-L1203 HydrophobicContact CB-CB 4.48Å; R1175-L1203 PolarHBondContact O-N 3.38Å | ||
| 1176 | V | 93.2 | Very high | 73.8 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 130.5 | 170.3 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | V1031 E1105 F1124 G1178 A1200 T1201 L1202 | V1031-V1176 HydrophobicContact CG1-CG1 4.43Å; E1105-V1176 PolarHBondContact O-N 2.95Å; F1124-V1176 HydrophobicContact CD2-CG2 3.22Å; F1124-V1176 HydrophobicContact CE2-CG2 3.36Å; F1124-V1176 HydrophobicContact CG-CG2 4.14Å; F1124-V1176 HydrophobicContact CZ-CG2 4.37Å; V1176-G1178 WeakPolarHBondContact CG1-O 3.38Å; V1176-A1200 HydrophobicContact CG1-CB 4.34Å; V1176-T1201 CarbonylContact C-O 3.58Å; V1176-T1201 WeakPolarHBondContact CA-O 3.14Å; V1176-L1202 HydrophobicContact CB-CD2 4.34Å; V1176-L1202 HydrophobicContact CG2-CD2 3.86Å |
| 1177 | T | 91 | Very high | 75.4 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 28% | 0.282 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -19.9 | 178.4 | 48 | 0 | 0 | 0 | 0 | 113.5 | T1201 L1203 | T1177-T1201 PolarHBondContact N-O 2.93Å; T1177-T1201 PolarHBondContact OG1-O 2.68Å; T1177-T1201 PolarHBondContact OG1-OG1 2.76Å; T1177-T1201 VanDerWaalsContact OG1-OG1 3.08Å; T1177-L1203 HydrophobicContact CG2-CB 3.82Å; T1177-L1203 HydrophobicContact CG2-CD1 3.83Å; T1177-L1203 HydrophobicContact CG2-CG 4.45Å |
| 1178 | G | 92.7 | Very high | 76.9 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 151.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1176 A1200 T1201 | V1176-G1178 WeakPolarHBondContact CG1-O 3.38Å; G1178-A1200 WeakPolarHBondContact O-CA 3.14Å; G1178-T1201 VanDerWaalsContact CA-OG1 3.24Å; G1178-T1201 WeakPolarHBondContact CA-OG1 3.07Å; G1178-T1201 PolarHBondContact N-OG1 2.75Å; G1178-T1201 PolarHBondContact O-N 3.42Å; G1178-T1201 PolarHBondContact O-OG1 3.41Å |
| 1179 | F | 95.7 | Very high | 78.4 | Confident | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.075 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 135.7 | -174.3 | -174.8 | -96.2 | 0 | 0 | 0 | 111.8 | V1031 Y1034 L1101 C1103 V1108 A1198 V1199 A1200 | V1031-F1179 HydrophobicContact CG1-CB 4.28Å; Y1034-F1179 HydrophobicContact CD2-CD1 4.32Å; Y1034-F1179 HydrophobicContact CD2-CE1 4.06Å; Y1034-F1179 AromaticContact CE2-CD1 3.96Å; Y1034-F1179 HydrophobicContact CE2-CD1 3.96Å; Y1034-F1179 HydrophobicContact CE2-CE1 4.1Å; L1101-F1179 HydrophobicContact CD2-CE1 4.07Å; L1101-F1179 HydrophobicContact CD2-CZ 4Å; L1101-F1179 HydrophobicContact CG-CE1 4.33Å; L1101-F1179 HydrophobicContact CG-CZ 4.24Å; C1103-F1179 HydrophobicContact CB-CB 4.01Å; C1103-F1179 HydrophobicContact CB-CD1 3.53Å; C1103-F1179 HydrophobicContact CB-CD2 3.68Å; C1103-F1179 HydrophobicContact CB-CE1 3.77Å; C1103-F1179 HydrophobicContact CB-CE2 3.91Å; C1103-F1179 HydrophobicContact CB-CG 3.46Å; C1103-F1179 VanDerWaalsContact CB-CG 3.46Å; C1103-F1179 HydrophobicContact CB-CZ 3.93Å; C1103-F1179 WeakPolarHBondContact SG-CD2 3.42Å; C1103-F1179 VanDerWaalsContact SG-CG 3.57Å; V1108-F1179 HydrophobicContact CG1-CE2 4.17Å; V1108-F1179 HydrophobicContact CG1-CZ 4.01Å; V1108-F1179 HydrophobicContact CG2-CE2 3.88Å; F1179-A1198 HydrophobicContact CE2-CB 4Å; F1179-A1198 HydrophobicContact CZ-CB 3.74Å; F1179-V1199 WeakPolarHBondContact CA-O 3.21Å; F1179-A1200 HydrophobicContact CD2-CB 3.97Å |
| 1180 | G | 94.3 | Very high | 79.3 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 172.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1199 | G1180-V1199 PolarHBondContact N-O 3.42Å; G1180-V1199 PolarHBondContact O-N 2.77Å |
| 1181 | L | 93.3 | Very high | 79.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.6 | 174.7 | -73.8 | -179.1 | 0 | 0 | 0 | 109.5 | Y1034 I1036 P1043 L1101 W1196 A1198 L1212 T1238 | Y1034-L1181 HydrophobicContact CD1-CD1 3.62Å; Y1034-L1181 HydrophobicContact CD1-CG 4.17Å; Y1034-L1181 HydrophobicContact CD2-CD1 4.09Å; Y1034-L1181 HydrophobicContact CD2-CG 4.12Å; Y1034-L1181 HydrophobicContact CE1-CB 4.45Å; Y1034-L1181 HydrophobicContact CE1-CD1 4.2Å; Y1034-L1181 HydrophobicContact CE1-CG 4.31Å; Y1034-L1181 HydrophobicContact CE2-CG 4.28Å; Y1034-L1181 HydrophobicContact CG-CD1 3.55Å; Y1034-L1181 HydrophobicContact CG-CG 4.07Å; I1036-L1181 HydrophobicContact CG2-CD1 3.74Å; P1043-L1181 HydrophobicContact CB-CD1 3.74Å; P1043-L1181 HydrophobicContact CG-CB 4.21Å; P1043-L1181 HydrophobicContact CG-CD1 3.75Å; L1101-L1181 HydrophobicContact CD2-CD1 4.15Å; L1101-L1181 HydrophobicContact CD2-CD2 3.57Å; L1101-L1181 HydrophobicContact CD2-CG 4.18Å; L1181-W1196 HydrophobicContact CB-CE3 4.22Å; L1181-W1196 HydrophobicContact CB-CZ3 4.38Å; L1181-A1198 HydrophobicContact CD2-CB 3.84Å; L1181-L1212 HydrophobicContact CD2-CD1 3.89Å; L1181-T1238 PolarHBondContact N-OG1 3.42Å; L1181-T1238 WeakPolarHBondContact O-CA 3.47Å; L1181-T1238 PolarHBondContact O-OG1 2.88Å |
| 1182 | Q | 92.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.7 | -179.9 | -72.5 | -178.8 | -6.2 | 0 | 0 | 110.3 | F1184 W1196 N1197 V1199 V1236 A1237 T1243 H1244 | Q1182-F1184 HydrophobicContact CB-CD2 4.33Å; Q1182-F1184 HydrophobicContact CB-CE2 3.48Å; Q1182-F1184 VanDerWaalsContact CB-CE2 3.48Å; Q1182-F1184 HydrophobicContact CB-CZ 3.69Å; Q1182-F1184 WeakPolarHBondContact O-CD2 3.36Å; Q1182-F1184 WeakPolarHBondContact O-CE2 3.06Å; Q1182-W1196 WeakPolarHBondContact O-CA 3.31Å; Q1182-N1197 PolarHBondContact N-O 3.3Å; Q1182-N1197 VanDerWaalsContact N-O 3.08Å; Q1182-N1197 PolarHBondContact O-N 3.29Å; Q1182-V1199 HydrophobicContact CB-CG2 4.05Å; Q1182-V1199 HydrophobicContact CG-CG2 4.17Å; Q1182-V1236 HydrophobicContact CG-CG1 4.49Å; Q1182-A1237 WeakPolarHBondContact CG-O 3.49Å; Q1182-A1237 PolarHBondContact NE2-O 2.94Å; Q1182-T1243 PolarHBondContact OE1-O 2.79Å; Q1182-H1244 PolarHBondContact NE2-O 3.3Å |
| 1183 | N | 87.4 | Confident | 79.6 | Confident | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.3 | -177.8 | -165.2 | -4.8 | 0 | 0 | 0 | 108.9 | L1194 E1195 W1196 | N1183-L1194 WeakPolarHBondContact OD1-CB 3.36Å; N1183-E1195 PolarHBondContact OD1-N 3.09Å; N1183-E1195 VanDerWaalsContact OD1-N 3.12Å; N1183-W1196 HydrophobicContact CB-CD2 3.87Å; N1183-W1196 HydrophobicContact CB-CE3 3.84Å; N1183-W1196 HydrophobicContact CB-CH2 3.96Å; N1183-W1196 HydrophobicContact CB-CZ2 3.98Å; N1183-W1196 HydrophobicContact CB-CZ3 3.89Å |
| 1184 | F | 85.1 | Confident | 79.6 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 138.2 | -173.4 | -61.7 | -92.7 | 0 | 0 | 0 | 109.9 | Y37 Q1182 S1186 E1195 N1197 V1199 V1209 T1243 L1258 | Y37-F1184 HydrophobicContact CD1-CD1 4.17Å; Y37-F1184 HydrophobicContact CD1-CE1 4.07Å; Y37-F1184 HydrophobicContact CE1-CB 4.5Å; Y37-F1184 AromaticContact CE1-CD1 3.61Å; Y37-F1184 HydrophobicContact CE1-CD1 3.61Å; Y37-F1184 HydrophobicContact CE1-CD2 4.29Å; Y37-F1184 AromaticContact CE1-CE1 3.77Å; Y37-F1184 HydrophobicContact CE1-CE1 3.77Å; Y37-F1184 HydrophobicContact CE1-CE2 4.43Å; Y37-F1184 AromaticContact CE1-CG 3.88Å; Y37-F1184 HydrophobicContact CE1-CG 3.88Å; Y37-F1184 HydrophobicContact CE1-CZ 4.18Å; Q1182-F1184 HydrophobicContact CB-CD2 4.33Å; Q1182-F1184 HydrophobicContact CB-CE2 3.48Å; Q1182-F1184 VanDerWaalsContact CB-CE2 3.48Å; Q1182-F1184 HydrophobicContact CB-CZ 3.69Å; Q1182-F1184 WeakPolarHBondContact O-CD2 3.36Å; Q1182-F1184 WeakPolarHBondContact O-CE2 3.06Å; F1184-S1186 PolarHBondContact O-N 3.29Å; F1184-E1195 PolarHBondContact N-O 2.62Å; F1184-E1195 PolarHBondContact O-N 3.37Å; F1184-N1197 HydrophobicContact CD2-CB 3.85Å; F1184-N1197 HydrophobicContact CE2-CB 3.79Å; F1184-V1199 HydrophobicContact CE2-CG2 4.21Å; F1184-V1199 HydrophobicContact CZ-CG2 3.98Å; F1184-V1209 HydrophobicContact CE2-CG1 4.49Å; F1184-T1243 HydrophobicContact CD1-CG2 3.58Å; F1184-T1243 HydrophobicContact CE1-CG2 3.49Å; F1184-T1243 VanDerWaalsContact CE1-CG2 3.49Å; F1184-T1243 HydrophobicContact CG-CG2 4.38Å; F1184-T1243 HydrophobicContact CZ-CG2 4.22Å; F1184-L1258 HydrophobicContact CE1-CB 3.89Å; F1184-L1258 WeakPolarHBondContact CE1-O 3.08Å; F1184-L1258 HydrophobicContact CZ-CB 4.4Å |
| 1185 | T | 78.8 | Confident | 79.6 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 105.8 | 173.4 | 48.8 | 0 | 0 | 0 | 0 | 110.3 | K1193 L1194 P1260 | T1185-K1193 CarbonylContact C-O 3.42Å; T1185-K1193 WeakPolarHBondContact CA-O 2.99Å; T1185-L1194 HydrophobicContact CG2-CD2 3.73Å; T1185-P1260 WeakPolarHBondContact O-CG 3.22Å |
| 1186 | S | 70.1 | Confident | 79.6 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 145.6 | 169.6 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | F1184 A1192 K1193 E1195 | F1184-S1186 PolarHBondContact O-N 3.29Å; S1186-A1192 WeakPolarHBondContact O-CA 3.02Å; S1186-K1193 PolarHBondContact N-O 3.06Å; S1186-K1193 PolarHBondContact O-N 3.19Å; S1186-K1193 PolarHBondContact OG-O 3.17Å; S1186-E1195 PolarHBondContact OG-OE1 3.18Å |
| 1187 | G | 62.2 | Low | 79.6 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 56% | 0.557 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 79.3 | -164.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1188 | S | 59.7 | Low | 79.8 | Confident | 86 Ų | 86 | 51.5 Ų | 51.5 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -152 | 148.5 | -177.3 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 1189 | G | 65.9 | Low | 79.9 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | 67.7 | -145.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1191 A1192 | G1189-N1191 PolarHBondContact O-N 3.41Å; G1189-A1192 VanDerWaalsContact O-CB 3.25Å; G1189-A1192 WeakPolarHBondContact O-CB 3.39Å; G1189-A1192 PolarHBondContact O-N 3.32Å |
| 1190 | E | 56.4 | Low | 79.9 | Confident | 204 Ų | 204 | 50.3 Ų | 50.3 | 95% | 0.953 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -61.6 | -15.1 | -177.9 | -59.8 | -179.3 | 149 | 0 | 0 | 114.3 | ||
| 1191 | N | 58.9 | Low | 79.8 | Confident | 142 Ų | 142 | 50.3 Ų | 50.3 | 76% | 0.759 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -93.8 | 7.3 | 175.6 | -65 | -65.3 | 0 | 0 | 0 | 113.5 | G1189 K1193 | G1189-N1191 PolarHBondContact O-N 3.41Å; N1191-K1193 PolarHBondContact O-N 3.03Å |
| 1192 | A | 66.9 | Low | 79.8 | Confident | 59 Ų | 59 | 50.3 Ų | 50.3 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | trans | -63.4 | 121 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1186 G1189 | S1186-A1192 WeakPolarHBondContact O-CA 3.02Å; G1189-A1192 VanDerWaalsContact O-CB 3.25Å; G1189-A1192 WeakPolarHBondContact O-CB 3.39Å; G1189-A1192 PolarHBondContact O-N 3.32Å | ||
| 1193 | K | 74.6 | Confident | 79.5 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 53% | 0.53 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.5 | -178.2 | -170.5 | -166.5 | 163.6 | -148.5 | 0 | 110.3 | T1185 S1186 N1191 E1195 | T1185-K1193 CarbonylContact C-O 3.42Å; T1185-K1193 WeakPolarHBondContact CA-O 2.99Å; S1186-K1193 PolarHBondContact N-O 3.06Å; S1186-K1193 PolarHBondContact O-N 3.19Å; S1186-K1193 PolarHBondContact OG-O 3.17Å; N1191-K1193 PolarHBondContact O-N 3.03Å; K1193-E1195 HydrophobicContact CD-CG 4.18Å; K1193-E1195 HydrophobicContact CG-CG 4.47Å; K1193-E1195 IonicContact NZ-OE1 3.64Å; K1193-E1195 PolarHBondContact NZ-OE1 2.77Å |
| 1194 | L | 78.4 | Confident | 79.5 | Confident | 93 Ų | 93 | 52.4 Ų | 52.4 | 49% | 0.487 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.4 | 171.2 | -73 | 172.3 | 0 | 0 | 0 | 110.4 | N1183 T1185 | N1183-L1194 WeakPolarHBondContact OD1-CB 3.36Å; T1185-L1194 HydrophobicContact CG2-CD2 3.73Å |
| 1195 | E | 85.9 | Confident | 79.4 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 121.5 | 180 | -68.8 | -169.8 | -160.2 | 0 | 0 | 112.2 | N1183 F1184 S1186 K1193 N1197 | N1183-E1195 PolarHBondContact OD1-N 3.09Å; N1183-E1195 VanDerWaalsContact OD1-N 3.12Å; F1184-E1195 PolarHBondContact N-O 2.62Å; F1184-E1195 PolarHBondContact O-N 3.37Å; S1186-E1195 PolarHBondContact OG-OE1 3.18Å; K1193-E1195 HydrophobicContact CD-CG 4.18Å; K1193-E1195 HydrophobicContact CG-CG 4.47Å; K1193-E1195 IonicContact NZ-OE1 3.64Å; K1193-E1195 PolarHBondContact NZ-OE1 2.77Å; E1195-N1197 PolarHBondContact O-ND2 3.3Å; E1195-N1197 VanDerWaalsContact O-ND2 3.1Å |
| 1196 | W | 89.5 | Confident | 79.9 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 16% | 0.155 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 128.2 | 178 | -70.5 | 97.9 | 0 | 0 | 0 | 112 | H1041 P1043 L1181 Q1182 N1183 L1212 | H1041-W1196 WeakPolarHBondContact O-CB 3.33Å; P1043-W1196 HydrophobicContact CG-CE3 4.2Å; P1043-W1196 HydrophobicContact CG-CH2 4.15Å; P1043-W1196 HydrophobicContact CG-CZ2 4.49Å; P1043-W1196 HydrophobicContact CG-CZ3 4Å; L1181-W1196 HydrophobicContact CB-CE3 4.22Å; L1181-W1196 HydrophobicContact CB-CZ3 4.38Å; Q1182-W1196 WeakPolarHBondContact O-CA 3.31Å; N1183-W1196 HydrophobicContact CB-CD2 3.87Å; N1183-W1196 HydrophobicContact CB-CE3 3.84Å; N1183-W1196 HydrophobicContact CB-CH2 3.96Å; N1183-W1196 HydrophobicContact CB-CZ2 3.98Å; N1183-W1196 HydrophobicContact CB-CZ3 3.89Å; W1196-L1212 HydrophobicContact CB-CD1 4.23Å; W1196-L1212 WeakPolarHBondContact O-CB 3.47Å |
| 1197 | N | 92.4 | Very high | 81 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 151.9 | 176.9 | -62.6 | -81.7 | 0 | 0 | 0 | 110.6 | Y37 Q1182 F1184 E1195 V1209 S1211 | Y37-N1197 PolarHBondContact OH-ND2 2.76Å; Q1182-N1197 PolarHBondContact N-O 3.3Å; Q1182-N1197 VanDerWaalsContact N-O 3.08Å; Q1182-N1197 PolarHBondContact O-N 3.29Å; F1184-N1197 HydrophobicContact CD2-CB 3.85Å; F1184-N1197 HydrophobicContact CE2-CB 3.79Å; E1195-N1197 PolarHBondContact O-ND2 3.3Å; E1195-N1197 VanDerWaalsContact O-ND2 3.1Å; N1197-V1209 HydrophobicContact CB-CG1 3.64Å; N1197-S1211 WeakPolarHBondContact OD1-CA 3.48Å; N1197-S1211 WeakPolarHBondContact OD1-CB 3.41Å |
| 1198 | A | 94.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1101 F1179 L1181 V1209 L1210 L1212 | L1101-A1198 HydrophobicContact CD2-CB 4.27Å; F1179-A1198 HydrophobicContact CE2-CB 4Å; F1179-A1198 HydrophobicContact CZ-CB 3.74Å; L1181-A1198 HydrophobicContact CD2-CB 3.84Å; A1198-V1209 CarbonylContact O-C 3.58Å; A1198-V1209 WeakPolarHBondContact O-CA 3.19Å; A1198-L1210 HydrophobicContact CB-CB 4.43Å; A1198-L1210 PolarHBondContact N-O 3.25Å; A1198-L1210 PolarHBondContact O-N 3.33Å; A1198-L1212 HydrophobicContact CB-CD2 4.3Å |
| 1199 | V | 95.4 | Very high | 84 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.5 | -174.6 | -176 | 0 | 0 | 0 | 0 | 109.3 | F1179 G1180 Q1182 F1184 I1207 V1209 V1236 V1245 L1258 | F1179-V1199 WeakPolarHBondContact CA-O 3.21Å; G1180-V1199 PolarHBondContact N-O 3.42Å; G1180-V1199 PolarHBondContact O-N 2.77Å; Q1182-V1199 HydrophobicContact CB-CG2 4.05Å; Q1182-V1199 HydrophobicContact CG-CG2 4.17Å; F1184-V1199 HydrophobicContact CE2-CG2 4.21Å; F1184-V1199 HydrophobicContact CZ-CG2 3.98Å; V1199-I1207 HydrophobicContact CG1-CG2 3.86Å; V1199-V1209 HydrophobicContact CG2-CG1 4.43Å; V1199-V1209 HydrophobicContact CG2-CG2 4.2Å; V1199-V1236 HydrophobicContact CB-CG1 3.93Å; V1199-V1236 HydrophobicContact CG1-CG1 4.09Å; V1199-V1245 HydrophobicContact CG1-CG2 4.07Å; V1199-L1258 HydrophobicContact CG1-CD1 3.66Å; V1199-L1258 HydrophobicContact CG2-CD1 4.24Å |
| 1200 | A | 95.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | F1124 V1176 G1178 F1179 I1207 A1208 | F1124-A1200 HydrophobicContact CE1-CB 4.47Å; F1124-A1200 HydrophobicContact CE2-CB 4.18Å; F1124-A1200 HydrophobicContact CZ-CB 3.65Å; V1176-A1200 HydrophobicContact CG1-CB 4.34Å; G1178-A1200 WeakPolarHBondContact O-CA 3.14Å; F1179-A1200 HydrophobicContact CD2-CB 3.97Å; A1200-I1207 WeakPolarHBondContact O-CA 3.17Å; A1200-A1208 PolarHBondContact N-O 2.71Å; A1200-A1208 PolarHBondContact O-N 2.58Å |
| 1201 | T | 93.8 | Very high | 87 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 143.7 | 167.3 | 60.4 | 0 | 0 | 0 | 0 | 110.1 | V1176 T1177 G1178 Q1206 I1207 P1234 V1236 V1245 W1247 | V1176-T1201 CarbonylContact C-O 3.58Å; V1176-T1201 WeakPolarHBondContact CA-O 3.14Å; T1177-T1201 PolarHBondContact N-O 2.93Å; T1177-T1201 PolarHBondContact OG1-O 2.68Å; T1177-T1201 PolarHBondContact OG1-OG1 2.76Å; T1177-T1201 VanDerWaalsContact OG1-OG1 3.08Å; G1178-T1201 VanDerWaalsContact CA-OG1 3.24Å; G1178-T1201 WeakPolarHBondContact CA-OG1 3.07Å; G1178-T1201 PolarHBondContact N-OG1 2.75Å; G1178-T1201 PolarHBondContact O-N 3.42Å; G1178-T1201 PolarHBondContact O-OG1 3.41Å; T1201-Q1206 CarbonylContact C-O 3.54Å; T1201-Q1206 WeakPolarHBondContact CA-O 3.41Å; T1201-I1207 HydrophobicContact CG2-CG1 4.41Å; T1201-P1234 HydrophobicContact CG2-CB 4.04Å; T1201-P1234 WeakPolarHBondContact OG1-CB 3.42Å; T1201-V1236 HydrophobicContact CG2-CG2 3.95Å; T1201-V1245 HydrophobicContact CG2-CG1 3.51Å; T1201-W1247 HydrophobicContact CG2-CH2 3.63Å; T1201-W1247 HydrophobicContact CG2-CZ2 3.7Å; T1201-W1247 HydrophobicContact CG2-CZ3 4.3Å |
| 1202 | L | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 156.6 | 177.3 | -50.2 | -176.5 | 0 | 0 | 0 | 111.4 | F1124 R1175 V1176 D1204 G1205 Q1206 | F1124-L1202 HydrophobicContact CD1-CD1 4.42Å; F1124-L1202 HydrophobicContact CD1-CD2 4.15Å; F1124-L1202 HydrophobicContact CD2-CD2 4.47Å; F1124-L1202 HydrophobicContact CE1-CD2 4.4Å; F1124-L1202 HydrophobicContact CG-CD2 4.18Å; R1175-L1202 CarbonylContact O-C 3.59Å; R1175-L1202 VanDerWaalsContact O-CA 3.28Å; R1175-L1202 WeakPolarHBondContact O-CA 3.46Å; V1176-L1202 HydrophobicContact CB-CD2 4.34Å; V1176-L1202 HydrophobicContact CG2-CD2 3.86Å; L1202-D1204 PolarHBondContact O-N 3.5Å; L1202-G1205 PolarHBondContact O-N 2.83Å; L1202-G1205 VanDerWaalsContact O-N 3.14Å; L1202-Q1206 HydrophobicContact CB-CB 4.23Å; L1202-Q1206 HydrophobicContact CD1-CB 4.14Å; L1202-Q1206 HydrophobicContact CG-CB 4.35Å; L1202-Q1206 PolarHBondContact N-O 2.97Å |
| 1203 | L | 87.5 | Confident | 89.5 | Confident | 48 Ų | 48 | 22 Ų | 22 | 25% | 0.251 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.1 | -178.5 | -171.8 | 65.5 | 0 | 0 | 0 | 113.6 | I1171 R1175 T1177 G1205 | I1171-L1203 HydrophobicContact CG2-CD2 3.44Å; I1171-L1203 VanDerWaalsContact CG2-CD2 3.44Å; R1175-L1203 HydrophobicContact CB-CB 4.48Å; R1175-L1203 PolarHBondContact O-N 3.38Å; T1177-L1203 HydrophobicContact CG2-CB 3.82Å; T1177-L1203 HydrophobicContact CG2-CD1 3.83Å; T1177-L1203 HydrophobicContact CG2-CG 4.45Å; L1203-G1205 VanDerWaalsContact C-N 3.27Å; L1203-G1205 PolarHBondContact O-N 2.84Å |
| 1204 | D | 85.7 | Confident | 90.2 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.043 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 31.3 | 176.5 | 78.6 | -27.6 | 0 | 0 | 0 | 114.7 | P1173 L1202 Q1206 R1222 | P1173-D1204 HydrophobicContact CB-CB 3.88Å; P1173-D1204 WeakPolarHBondContact O-CB 2.96Å; P1173-D1204 PolarHBondContact O-N 2.83Å; L1202-D1204 PolarHBondContact O-N 3.5Å; D1204-Q1206 VanDerWaalsContact C-N 3.27Å; D1204-Q1206 VanDerWaalsContact CG-CD 3.45Å; D1204-Q1206 PolarHBondContact O-N 3.18Å; D1204-Q1206 PolarHBondContact OD1-NE2 2.93Å; D1204-Q1206 PolarHBondContact OD1-OE1 3.14Å; D1204-Q1206 PolarHBondContact OD2-NE2 3.42Å; D1204-Q1206 PolarHBondContact OD2-OE1 3.41Å; D1204-R1222 PolarHBondContact O-NE 3.1Å; D1204-R1222 IonicContact OD2-CZ 3.66Å; D1204-R1222 IonicContact OD2-NE 3.75Å; D1204-R1222 IonicContact OD2-NH2 2.76Å; D1204-R1222 PolarHBondContact OD2-NH2 3.23Å |
| 1205 | G | 84.5 | Confident | 90.9 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.068 | C | C | . | . | S | Bend | trans | 69.2 | 21.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1202 L1203 R1222 C1223 | L1202-G1205 PolarHBondContact O-N 2.83Å; L1202-G1205 VanDerWaalsContact O-N 3.14Å; L1203-G1205 VanDerWaalsContact C-N 3.27Å; L1203-G1205 PolarHBondContact O-N 2.84Å; G1205-R1222 WeakPolarHBondContact O-CA 3.35Å; G1205-R1222 WeakPolarHBondContact O-CG 3.47Å; G1205-C1223 PolarHBondContact O-N 2.74Å |
| 1206 | Q | 88.8 | Confident | 91 | Very high | 26 Ų | 26 | 15.7 Ų | 15.7 | 12% | 0.121 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 138.8 | -178.5 | -75.4 | 161.3 | 20.5 | 0 | 0 | 112.3 | T1201 L1202 D1204 E1221 R1222 | T1201-Q1206 CarbonylContact C-O 3.54Å; T1201-Q1206 WeakPolarHBondContact CA-O 3.41Å; L1202-Q1206 HydrophobicContact CB-CB 4.23Å; L1202-Q1206 HydrophobicContact CD1-CB 4.14Å; L1202-Q1206 HydrophobicContact CG-CB 4.35Å; L1202-Q1206 PolarHBondContact N-O 2.97Å; D1204-Q1206 VanDerWaalsContact C-N 3.27Å; D1204-Q1206 VanDerWaalsContact CG-CD 3.45Å; D1204-Q1206 PolarHBondContact O-N 3.18Å; D1204-Q1206 PolarHBondContact OD1-NE2 2.93Å; D1204-Q1206 PolarHBondContact OD1-OE1 3.14Å; D1204-Q1206 PolarHBondContact OD2-NE2 3.42Å; D1204-Q1206 PolarHBondContact OD2-OE1 3.41Å; Q1206-E1221 CarbonylContact C-O 3.13Å; Q1206-E1221 WeakPolarHBondContact CA-O 3.17Å; Q1206-E1221 WeakPolarHBondContact CB-O 3.05Å; Q1206-E1221 WeakPolarHBondContact CG-O 3.49Å; Q1206-R1222 HydrophobicContact CG-CB 3.61Å; Q1206-R1222 HydrophobicContact CG-CG 3.96Å |
| 1207 | I | 91.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.6 | 164.1 | -62 | 177.7 | 0 | 0 | 0 | 108.2 | V1199 A1200 T1201 K1220 E1221 C1223 V1245 W1247 L1258 | V1199-I1207 HydrophobicContact CG1-CG2 3.86Å; A1200-I1207 WeakPolarHBondContact O-CA 3.17Å; T1201-I1207 HydrophobicContact CG2-CG1 4.41Å; I1207-K1220 VanDerWaalsContact O-CA 3.3Å; I1207-K1220 WeakPolarHBondContact O-CA 3.47Å; I1207-E1221 PolarHBondContact N-O 3.47Å; I1207-E1221 PolarHBondContact O-N 2.74Å; I1207-E1221 VanDerWaalsContact O-N 3.11Å; I1207-C1223 WeakPolarHBondContact CD1-SG 3.48Å; I1207-C1223 VanDerWaalsContact CG1-SG 3.59Å; I1207-V1245 HydrophobicContact CD1-CB 3.93Å; I1207-V1245 HydrophobicContact CD1-CG1 4.15Å; I1207-V1245 HydrophobicContact CD1-CG2 3.98Å; I1207-W1247 HydrophobicContact CD1-CZ2 4.07Å; I1207-W1247 HydrophobicContact CG1-CZ2 3.76Å; I1207-L1258 HydrophobicContact CD1-CD2 4.25Å; I1207-L1258 HydrophobicContact CG2-CD1 3.88Å; I1207-L1258 HydrophobicContact CG2-CD2 3.99Å |
| 1208 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | F1124 A1200 K1217 F1219 K1220 | F1124-A1208 HydrophobicContact CE1-CB 4.08Å; A1200-A1208 PolarHBondContact N-O 2.71Å; A1200-A1208 PolarHBondContact O-N 2.58Å; A1208-K1217 HydrophobicContact CB-CG 4.47Å; A1208-F1219 WeakPolarHBondContact CA-O 3.44Å; A1208-K1220 HydrophobicContact CB-CB 4.3Å; A1208-K1220 HydrophobicContact CB-CD 4.29Å; A1208-K1220 HydrophobicContact CB-CG 4.39Å |
| 1209 | V | 93.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129.3 | 172.7 | -172.8 | 0 | 0 | 0 | 0 | 109.1 | Y37 F1184 N1197 A1198 V1199 K1217 V1218 F1219 L1258 | Y37-V1209 HydrophobicContact CD1-CG2 4.47Å; Y37-V1209 HydrophobicContact CE1-CG1 4.26Å; F1184-V1209 HydrophobicContact CE2-CG1 4.49Å; N1197-V1209 HydrophobicContact CB-CG1 3.64Å; A1198-V1209 CarbonylContact O-C 3.58Å; A1198-V1209 WeakPolarHBondContact O-CA 3.19Å; V1199-V1209 HydrophobicContact CG2-CG1 4.43Å; V1199-V1209 HydrophobicContact CG2-CG2 4.2Å; V1209-K1217 CarbonylContact O-C 3.47Å; V1209-K1217 WeakPolarHBondContact O-CA 3.42Å; V1209-V1218 HydrophobicContact CB-CG2 4.04Å; V1209-V1218 HydrophobicContact CG1-CG2 3.93Å; V1209-V1218 WeakPolarHBondContact O-CG2 3.48Å; V1209-V1218 PolarHBondContact O-N 2.73Å; V1209-F1219 HydrophobicContact CB-CB 3.94Å; V1209-F1219 HydrophobicContact CG2-CB 4.04Å; V1209-F1219 HydrophobicContact CG2-CD1 4.02Å; V1209-F1219 HydrophobicContact CG2-CG 4.47Å; V1209-F1219 PolarHBondContact N-O 2.79Å; V1209-F1219 VanDerWaalsContact N-O 3.08Å; V1209-F1219 PolarHBondContact O-N 3.23Å; V1209-L1258 HydrophobicContact CG2-CD1 4.19Å |
| 1210 | L | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.2 | 177.7 | -44.5 | -177.7 | 0 | 0 | 0 | 109.1 | V1108 H1122 F1124 A1198 L1215 R1216 K1217 | V1108-L1210 HydrophobicContact CB-CD1 3.92Å; V1108-L1210 HydrophobicContact CG1-CD1 4.3Å; V1108-L1210 HydrophobicContact CG2-CD1 3.6Å; H1122-L1210 HydrophobicContact CB-CD1 3.99Å; H1122-L1210 WeakPolarHBondContact CD2-CD2 3.2Å; F1124-L1210 HydrophobicContact CE1-CD2 4.48Å; F1124-L1210 HydrophobicContact CZ-CD1 4.1Å; A1198-L1210 HydrophobicContact CB-CB 4.43Å; A1198-L1210 PolarHBondContact N-O 3.25Å; A1198-L1210 PolarHBondContact O-N 3.33Å; L1210-L1215 HydrophobicContact CB-CD2 4.47Å; L1210-R1216 WeakPolarHBondContact CA-O 3.48Å; L1210-K1217 HydrophobicContact CD2-CB 3.59Å; L1210-K1217 HydrophobicContact CD2-CG 3.75Å |
| 1211 | S | 91.5 | Very high | 89.6 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 13% | 0.126 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 135.4 | -178.7 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | N1197 N1214 L1215 R1216 | N1197-S1211 WeakPolarHBondContact OD1-CA 3.48Å; N1197-S1211 WeakPolarHBondContact OD1-CB 3.41Å; S1211-N1214 CarbonylContact O-C 3.54Å; S1211-N1214 PolarHBondContact O-N 3.4Å; S1211-N1214 VanDerWaalsContact O-N 3.17Å; S1211-L1215 WeakPolarHBondContact O-CA 3.4Å; S1211-L1215 PolarHBondContact O-N 3.09Å; S1211-R1216 PolarHBondContact N-O 3.35Å; S1211-R1216 PolarHBondContact OG-O 2.89Å |
| 1212 | L | 90.8 | Very high | 89 | Confident | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 156.2 | 176.1 | -61.6 | 178.5 | 0 | 0 | 0 | 111 | I1036 H1041 L1101 L1181 W1196 A1198 L1215 | I1036-L1212 HydrophobicContact CD1-CD1 4.08Å; I1036-L1212 HydrophobicContact CD1-CD2 4.35Å; H1041-L1212 HydrophobicContact CB-CB 3.81Å; H1041-L1212 HydrophobicContact CB-CD1 4.29Å; H1041-L1212 VanDerWaalsContact O-CD1 3.31Å; H1041-L1212 WeakPolarHBondContact O-CD1 3.39Å; L1101-L1212 HydrophobicContact CD1-CD2 4.3Å; L1101-L1212 HydrophobicContact CD2-CD2 4.17Å; L1181-L1212 HydrophobicContact CD2-CD1 3.89Å; W1196-L1212 HydrophobicContact CB-CD1 4.23Å; W1196-L1212 WeakPolarHBondContact O-CB 3.47Å; A1198-L1212 HydrophobicContact CB-CD2 4.3Å; L1212-L1215 HydrophobicContact CD2-CD2 3.96Å |
| 1213 | P | 87.8 | Confident | 88.2 | Confident | 20 Ų | 20 | 34.7 Ų | 34.7 | 13% | 0.13 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76.6 | -0.4 | -17.6 | 36.1 | -29.9 | 0 | 0 | 0 | 110.8 | H1041 L1110 Y1120 L1215 | H1041-P1213 WeakPolarHBondContact NE2-CD 3.3Å; L1110-P1213 HydrophobicContact CD2-CB 3.63Å; L1110-P1213 WeakPolarHBondContact CD2-O 3.42Å; Y1120-P1213 WeakPolarHBondContact CD2-O 3.15Å; Y1120-P1213 HydrophobicContact CE2-CB 4.41Å; Y1120-P1213 HydrophobicContact CE2-CG 4.4Å; P1213-L1215 VanDerWaalsContact C-N 3.27Å; P1213-L1215 PolarHBondContact O-N 2.76Å |
| 1214 | N | 89.4 | Confident | 87.3 | Confident | 35 Ų | 35 | 34 Ų | 34 | 19% | 0.187 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.2 | -163.8 | -67.1 | -77 | 0 | 0 | 0 | 115.4 | Y1120 S1211 R1216 | Y1120-N1214 HydrophobicContact CD1-CB 4.42Å; Y1120-N1214 WeakPolarHBondContact CD1-O 3.45Å; Y1120-N1214 HydrophobicContact CE1-CB 4.13Å; Y1120-N1214 PolarHBondContact OH-OD1 2.94Å; S1211-N1214 CarbonylContact O-C 3.54Å; S1211-N1214 PolarHBondContact O-N 3.4Å; S1211-N1214 VanDerWaalsContact O-N 3.17Å; N1214-R1216 HydrophobicContact CB-CB 4.38Å; N1214-R1216 HydrophobicContact CB-CG 4.03Å; N1214-R1216 PolarHBondContact ND2-NH2 3.45Å; N1214-R1216 PolarHBondContact O-N 2.9Å; N1214-R1216 VanDerWaalsContact O-N 3.14Å |
| 1215 | L | 92.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.6 | 35.5 | -166.9 | -58.4 | -177.7 | 0 | 0 | 0 | 113 | L1101 V1108 L1110 H1122 L1210 S1211 L1212 P1213 | L1101-L1215 HydrophobicContact CD1-CD2 3.86Å; V1108-L1215 HydrophobicContact CB-CD1 4.23Å; V1108-L1215 HydrophobicContact CG1-CD1 3.87Å; V1108-L1215 HydrophobicContact CG1-CD2 3.87Å; L1110-L1215 HydrophobicContact CB-CD1 4.01Å; L1110-L1215 HydrophobicContact CB-CG 4.44Å; H1122-L1215 HydrophobicContact CB-CB 4.06Å; H1122-L1215 WeakPolarHBondContact CB-O 3.47Å; L1210-L1215 HydrophobicContact CB-CD2 4.47Å; S1211-L1215 WeakPolarHBondContact O-CA 3.4Å; S1211-L1215 PolarHBondContact O-N 3.09Å; L1212-L1215 HydrophobicContact CD2-CD2 3.96Å; P1213-L1215 VanDerWaalsContact C-N 3.27Å; P1213-L1215 PolarHBondContact O-N 2.76Å |
| 1216 | R | 89.5 | Confident | 85.1 | Confident | 112 Ų | 112 | 41.6 Ų | 41.6 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 118.7 | 174.8 | -79.1 | -177.1 | -73.1 | 174.6 | -3.2 | 108.3 | L1210 S1211 N1214 V1218 | L1210-R1216 WeakPolarHBondContact CA-O 3.48Å; S1211-R1216 PolarHBondContact N-O 3.35Å; S1211-R1216 PolarHBondContact OG-O 2.89Å; N1214-R1216 HydrophobicContact CB-CB 4.38Å; N1214-R1216 HydrophobicContact CB-CG 4.03Å; N1214-R1216 PolarHBondContact ND2-NH2 3.45Å; N1214-R1216 PolarHBondContact O-N 2.9Å; N1214-R1216 VanDerWaalsContact O-N 3.14Å; R1216-V1218 PolarHBondContact O-N 2.77Å |
| 1217 | K | 90.1 | Very high | 84 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 101.5 | 175.6 | -170.4 | -160.5 | 78.1 | -175.6 | 0 | 110.3 | A1208 V1209 L1210 F1219 K1220 | A1208-K1217 HydrophobicContact CB-CG 4.47Å; V1209-K1217 CarbonylContact O-C 3.47Å; V1209-K1217 WeakPolarHBondContact O-CA 3.42Å; L1210-K1217 HydrophobicContact CD2-CB 3.59Å; L1210-K1217 HydrophobicContact CD2-CG 3.75Å; K1217-F1219 WeakPolarHBondContact CG-O 3.47Å; K1217-K1220 HydrophobicContact CD-CB 3.96Å; K1217-K1220 HydrophobicContact CD-CD 4.16Å |
| 1218 | V | 86.9 | Confident | 83.1 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -32.3 | -179.2 | -73 | 0 | 0 | 0 | 0 | 112 | Y37 V1209 R1216 | Y37-V1218 HydrophobicContact CD2-CB 4.44Å; Y37-V1218 HydrophobicContact CD2-CG2 4.07Å; Y37-V1218 HydrophobicContact CE2-CB 4.01Å; Y37-V1218 HydrophobicContact CE2-CG2 3.47Å; Y37-V1218 VanDerWaalsContact CE2-CG2 3.47Å; V1209-V1218 HydrophobicContact CB-CG2 4.04Å; V1209-V1218 HydrophobicContact CG1-CG2 3.93Å; V1209-V1218 WeakPolarHBondContact O-CG2 3.48Å; V1209-V1218 PolarHBondContact O-N 2.73Å; R1216-V1218 PolarHBondContact O-N 2.77Å |
| 1219 | F | 88.2 | Confident | 82.4 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 149.2 | 178.6 | 178.8 | -107.2 | 0 | 0 | 0 | 112 | Y37 C39 A1208 V1209 K1217 E1221 L1258 | Y37-F1219 HydrophobicContact CD2-CB 3.91Å; Y37-F1219 HydrophobicContact CG-CB 3.99Å; Y37-F1219 HydrophobicContact CG-CG 4.38Å; Y37-F1219 WeakPolarHBondContact O-CD2 3.37Å; Y37-F1219 WeakPolarHBondContact O-CE2 3.11Å; C39-F1219 HydrophobicContact CB-CE1 3.86Å; C39-F1219 HydrophobicContact CB-CZ 3.52Å; A1208-F1219 WeakPolarHBondContact CA-O 3.44Å; V1209-F1219 HydrophobicContact CB-CB 3.94Å; V1209-F1219 HydrophobicContact CG2-CB 4.04Å; V1209-F1219 HydrophobicContact CG2-CD1 4.02Å; V1209-F1219 HydrophobicContact CG2-CG 4.47Å; V1209-F1219 PolarHBondContact N-O 2.79Å; V1209-F1219 VanDerWaalsContact N-O 3.08Å; V1209-F1219 PolarHBondContact O-N 3.23Å; K1217-F1219 WeakPolarHBondContact CG-O 3.47Å; F1219-E1221 HydrophobicContact CE1-CB 3.78Å; F1219-E1221 HydrophobicContact CE2-CB 3.93Å; F1219-E1221 HydrophobicContact CZ-CB 3.25Å; F1219-E1221 HydrophobicContact CZ-CG 4.28Å; F1219-E1221 VanDerWaalsContact CZ-OE2 3.31Å; F1219-E1221 WeakPolarHBondContact CZ-OE2 3.15Å; F1219-L1258 HydrophobicContact CD1-CD2 4.45Å; F1219-L1258 HydrophobicContact CE1-CD2 3.94Å |
| 1220 | K | 87.8 | Confident | 81.5 | Confident | 70 Ų | 70 | 60 Ų | 60 | 30% | 0.304 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 122.8 | 163.1 | 176.4 | 159.1 | 176.6 | 152.8 | 0 | 111.9 | I1207 A1208 K1217 | I1207-K1220 VanDerWaalsContact O-CA 3.3Å; I1207-K1220 WeakPolarHBondContact O-CA 3.47Å; A1208-K1220 HydrophobicContact CB-CB 4.3Å; A1208-K1220 HydrophobicContact CB-CD 4.29Å; A1208-K1220 HydrophobicContact CB-CG 4.39Å; K1217-K1220 HydrophobicContact CD-CB 3.96Å; K1217-K1220 HydrophobicContact CD-CD 4.16Å |
| 1221 | E | 84.2 | Confident | 80.8 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 38% | 0.379 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163 | 177.6 | -174.6 | 154.1 | -144.2 | 0 | 0 | 110.6 | C39 Q1206 I1207 F1219 | C39-E1221 WeakPolarHBondContact CB-OE2 3.35Å; C39-E1221 PolarHBondContact N-OE2 3.47Å; Q1206-E1221 CarbonylContact C-O 3.13Å; Q1206-E1221 WeakPolarHBondContact CA-O 3.17Å; Q1206-E1221 WeakPolarHBondContact CB-O 3.05Å; Q1206-E1221 WeakPolarHBondContact CG-O 3.49Å; I1207-E1221 PolarHBondContact N-O 3.47Å; I1207-E1221 PolarHBondContact O-N 2.74Å; I1207-E1221 VanDerWaalsContact O-N 3.11Å; F1219-E1221 HydrophobicContact CE1-CB 3.78Å; F1219-E1221 HydrophobicContact CE2-CB 3.93Å; F1219-E1221 HydrophobicContact CZ-CB 3.25Å; F1219-E1221 HydrophobicContact CZ-CG 4.28Å; F1219-E1221 VanDerWaalsContact CZ-OE2 3.31Å; F1219-E1221 WeakPolarHBondContact CZ-OE2 3.15Å |
| 1222 | R | 81.9 | Confident | 80.6 | Confident | 114 Ų | 114 | 63.5 Ų | 63.5 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.7 | 170 | -175.6 | -178.4 | -82.5 | 158.5 | -7.8 | 108.7 | D1204 G1205 Q1206 Y1224 | D1204-R1222 PolarHBondContact O-NE 3.1Å; D1204-R1222 IonicContact OD2-CZ 3.66Å; D1204-R1222 IonicContact OD2-NE 3.75Å; D1204-R1222 IonicContact OD2-NH2 2.76Å; D1204-R1222 PolarHBondContact OD2-NH2 3.23Å; G1205-R1222 WeakPolarHBondContact O-CA 3.35Å; G1205-R1222 WeakPolarHBondContact O-CG 3.47Å; Q1206-R1222 HydrophobicContact CG-CB 3.61Å; Q1206-R1222 HydrophobicContact CG-CG 3.96Å; R1222-Y1224 WeakPolarHBondContact CD-O 3.32Å; R1222-Y1224 WeakPolarHBondContact CG-O 3.28Å |
| 1223 | C | 74.5 | Confident | 80.6 | Confident | 31 Ų | 31 | 64.9 Ų | 64.9 | 21% | 0.209 | 35% | 0.348 | C | S | . | . | trans | -82.3 | -22.3 | -171.5 | -52.1 | 0 | 0 | 0 | 0 | 113 | C39 G1205 I1207 | C39-C1223 PolarHBondContact SG-SG 2.57Å; G1205-C1223 PolarHBondContact O-N 2.74Å; I1207-C1223 WeakPolarHBondContact CD1-SG 3.48Å; I1207-C1223 VanDerWaalsContact CG1-SG 3.59Å | ||
| 1224 | Y | 68 | Low | 80.8 | Confident | 33 Ų | 33 | 65.1 Ų | 65.1 | 13% | 0.129 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -133.1 | 143.6 | -175.3 | -55.2 | -65.1 | 0 | 0 | 0 | 111.7 | R1222 L1228 W1247 I1249 L1254 S1256 | R1222-Y1224 WeakPolarHBondContact CD-O 3.32Å; R1222-Y1224 WeakPolarHBondContact CG-O 3.28Å; Y1224-L1228 HydrophobicContact CD2-CD2 3.98Å; Y1224-L1228 HydrophobicContact CG-CD2 4.35Å; Y1224-W1247 HydrophobicContact CE2-CB 4.44Å; Y1224-W1247 AromaticContact CE2-CD1 3.76Å; Y1224-W1247 AromaticContact CE2-CD2 3.84Å; Y1224-W1247 HydrophobicContact CE2-CD2 3.84Å; Y1224-W1247 AromaticContact CE2-CE2 3.79Å; Y1224-W1247 AromaticContact CE2-CG 3.81Å; Y1224-W1247 HydrophobicContact CE2-CG 3.81Å; Y1224-W1247 HydrophobicContact CE2-CZ2 4.39Å; Y1224-W1247 AromaticContact CE2-NE1 3.73Å; Y1224-W1247 AromaticContact CZ-CD1 3.97Å; Y1224-W1247 VanDerWaalsContact OH-CD1 3.28Å; Y1224-I1249 HydrophobicContact CD2-CD1 4.35Å; Y1224-I1249 HydrophobicContact CE2-CD1 4.22Å; Y1224-L1254 HydrophobicContact CD1-CD1 4.1Å; Y1224-L1254 HydrophobicContact CE1-CB 4.24Å; Y1224-L1254 HydrophobicContact CE1-CD1 3.46Å; Y1224-L1254 VanDerWaalsContact CE1-CD1 3.46Å; Y1224-L1254 HydrophobicContact CE1-CG 4.5Å; Y1224-L1254 VanDerWaalsContact OH-CB 3.3Å; Y1224-L1254 WeakPolarHBondContact OH-CB 3.13Å; Y1224-S1256 PolarHBondContact OH-OG 2.81Å |
| 1225 | S | 61 | Low | 81 | Confident | 125 Ų | 125 | 64.3 Ų | 64.3 | 87% | 0.874 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -74.3 | 149.5 | 174.4 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1226 | G | 62.8 | Low | 81 | Confident | 45 Ų | 45 | 64.9 Ų | 64.9 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 78.4 | -152.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1227 | Y | 65.7 | Low | 80.9 | Confident | 188 Ų | 188 | 59.6 Ų | 59.6 | 74% | 0.737 | 33% | 0.33 | S | S | * | . | trans | -105.5 | 140.2 | 171 | -72.4 | -80.4 | 0 | 0 | 0 | 109 | P1173 | P1173-Y1227 HydrophobicContact CB-CE1 4.2Š| ||
| 1228 | L | 72.8 | Confident | 80.7 | Confident | 29 Ų | 29 | 56.9 Ų | 56.9 | 15% | 0.152 | 32% | 0.322 | C | S | . | . | trans | -67 | 141.8 | 173.9 | -72.7 | 175.2 | 0 | 0 | 0 | 111 | Y1224 T1232 W1247 I1249 | Y1224-L1228 HydrophobicContact CD2-CD2 3.98Å; Y1224-L1228 HydrophobicContact CG-CD2 4.35Å; L1228-T1232 HydrophobicContact CB-CG2 4.43Å; L1228-T1232 HydrophobicContact CD1-CG2 3.95Å; L1228-T1232 HydrophobicContact CD2-CG2 4.25Å; L1228-T1232 HydrophobicContact CG-CG2 4.45Å; L1228-W1247 HydrophobicContact CD1-CE3 3.89Å; L1228-W1247 HydrophobicContact CD1-CH2 4.35Å; L1228-W1247 HydrophobicContact CD1-CZ3 3.49Å; L1228-W1247 VanDerWaalsContact CD1-CZ3 3.49Å; L1228-I1249 HydrophobicContact CD2-CD1 3.68Å; L1228-I1249 HydrophobicContact CD2-CG1 4.36Å | ||
| 1229 | P | 78.5 | Confident | 80.1 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | trans | -53.5 | 146.6 | 168.5 | -27 | 35.3 | 0 | 0 | 0 | 112 | S1231 T1232 I1249 | P1229-S1231 PolarHBondContact O-N 2.62Å; P1229-S1231 VanDerWaalsContact O-N 3.14Å; P1229-T1232 WeakPolarHBondContact CD-OG1 3.31Å; P1229-T1232 VanDerWaalsContact O-CB 3.26Å; P1229-T1232 WeakPolarHBondContact O-CB 3.47Å; P1229-T1232 PolarHBondContact O-N 2.88Å; P1229-T1232 PolarHBondContact O-OG1 2.78Å; P1229-I1249 HydrophobicContact CG-CG2 4.34Å | ||
| 1230 | S | 72.8 | Confident | 79.4 | Confident | 130 Ų | 130 | 60.8 Ų | 60.8 | 91% | 0.909 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -21.4 | 179.8 | 48.4 | 0 | 0 | 0 | 0 | 114 | T1232 | S1230-T1232 VanDerWaalsContact C-N 3.29Š|
| 1231 | S | 79.7 | Confident | 78.7 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1 | 172.4 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | P1229 L1233 | P1229-S1231 PolarHBondContact O-N 2.62Å; P1229-S1231 VanDerWaalsContact O-N 3.14Å; S1231-L1233 PolarHBondContact O-N 2.78Å |
| 1232 | T | 86.5 | Confident | 78.3 | Confident | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.11 | 34% | 0.336 | C | S | . | . | trans | -69.4 | 123.1 | -176.1 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | L1228 P1229 S1230 P1234 W1247 S1248 I1249 | L1228-T1232 HydrophobicContact CB-CG2 4.43Å; L1228-T1232 HydrophobicContact CD1-CG2 3.95Å; L1228-T1232 HydrophobicContact CD2-CG2 4.25Å; L1228-T1232 HydrophobicContact CG-CG2 4.45Å; P1229-T1232 WeakPolarHBondContact CD-OG1 3.31Å; P1229-T1232 VanDerWaalsContact O-CB 3.26Å; P1229-T1232 WeakPolarHBondContact O-CB 3.47Å; P1229-T1232 PolarHBondContact O-N 2.88Å; P1229-T1232 PolarHBondContact O-OG1 2.78Å; S1230-T1232 VanDerWaalsContact C-N 3.29Å; T1232-P1234 WeakPolarHBondContact O-CD 3.38Å; T1232-W1247 HydrophobicContact CG2-CE3 4.01Å; T1232-S1248 WeakPolarHBondContact CA-O 3.26Å; T1232-I1249 HydrophobicContact CG2-CD1 4.11Å; T1232-I1249 HydrophobicContact CG2-CG1 3.5Å | ||
| 1233 | L | 90.9 | Very high | 78.4 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 23% | 0.225 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.3 | 177.3 | -58 | 176.4 | 0 | 0 | 0 | 110.8 | V540 T541 I543 S1231 S1248 | V540-L1233 HydrophobicContact CG1-CD1 4.05Å; T541-L1233 VanDerWaalsContact C-CD1 3.5Å; I543-L1233 HydrophobicContact CG2-CB 3.64Å; I543-L1233 HydrophobicContact CG2-CD1 4.42Å; S1231-L1233 PolarHBondContact O-N 2.78Å; L1233-S1248 PolarHBondContact N-O 2.92Å; L1233-S1248 VanDerWaalsContact N-O 3.17Å; L1233-S1248 PolarHBondContact O-N 3.48Å |
| 1234 | P | 92.3 | Very high | 79.1 | Confident | 24 Ų | 24 | 56.3 Ų | 56.3 | 16% | 0.156 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138 | 171.8 | 31.8 | -31.5 | 0 | 0 | 0 | 111.6 | T1201 T1232 F1246 W1247 | T1201-P1234 HydrophobicContact CG2-CB 4.04Å; T1201-P1234 WeakPolarHBondContact OG1-CB 3.42Å; T1232-P1234 WeakPolarHBondContact O-CD 3.38Å; P1234-F1246 CarbonylContact C-O 3.56Å; P1234-F1246 WeakPolarHBondContact CA-O 3.24Å; P1234-W1247 HydrophobicContact CB-CD2 4.41Å; P1234-W1247 HydrophobicContact CB-CE3 3.83Å; P1234-W1247 HydrophobicContact CB-CZ3 3.95Å |
| 1235 | C | 93.6 | Very high | 80.2 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 13% | 0.128 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 114.8 | 167.8 | -169.7 | 0 | 0 | 0 | 0 | 109.2 | I543 F1246 | I543-C1235 HydrophobicContact CD1-CB 4.19Å; I543-C1235 HydrophobicContact CG1-CB 4.08Å; I543-C1235 HydrophobicContact CG2-CB 4.05Å; C1235-F1246 HydrophobicContact CB-CB 4.23Å; C1235-F1246 PolarHBondContact N-O 3.34Å; C1235-F1246 PolarHBondContact O-N 2.82Å |
| 1236 | V | 93 | Very high | 81.7 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 119 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 107.7 | Q1182 V1199 T1201 T1238 V1245 | Q1182-V1236 HydrophobicContact CG-CG1 4.49Å; V1199-V1236 HydrophobicContact CB-CG1 3.93Å; V1199-V1236 HydrophobicContact CG1-CG1 4.09Å; T1201-V1236 HydrophobicContact CG2-CG2 3.95Å; V1236-T1238 PolarHBondContact O-N 3.45Å; V1236-V1245 HydrophobicContact CG1-CG2 4.36Å; V1236-V1245 HydrophobicContact CG2-CG1 4.25Å; V1236-V1245 HydrophobicContact CG2-CG2 4.31Å |
| 1237 | A | 88.4 | Confident | 83 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | trans | -56.3 | 132.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | H545 Q1182 N1242 H1244 F1246 | H545-A1237 WeakPolarHBondContact ND1-CB 3.38Å; Q1182-A1237 WeakPolarHBondContact CG-O 3.49Å; Q1182-A1237 PolarHBondContact NE2-O 2.94Å; A1237-N1242 WeakPolarHBondContact CB-O 3.29Å; A1237-H1244 HydrophobicContact CB-CB 4.18Å; A1237-H1244 WeakPolarHBondContact CB-O 3.13Å; A1237-H1244 PolarHBondContact N-O 3.28Å; A1237-F1246 HydrophobicContact CB-CE2 4.23Å | ||
| 1238 | T | 84.9 | Confident | 84.2 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 27% | 0.27 | 22% | 0.215 | S | C | . | . | trans | -144.9 | 152.4 | -174.8 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | Y1034 L1181 V1236 T1240 | Y1034-T1238 PolarHBondContact OH-OG1 3.27Å; L1181-T1238 PolarHBondContact N-OG1 3.42Å; L1181-T1238 WeakPolarHBondContact O-CA 3.47Å; L1181-T1238 PolarHBondContact O-OG1 2.88Å; V1236-T1238 PolarHBondContact O-N 3.45Å; T1238-T1240 PolarHBondContact O-N 3.27Å | ||
| 1239 | R | 73.4 | Confident | 84.8 | Confident | 119 Ų | 119 | 37.8 Ų | 37.8 | 45% | 0.449 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 59.1 | 16.6 | -172.9 | -45.9 | -166.5 | 167.9 | -156 | -0.7 | 115.7 | M1045 | M1045-R1239 HydrophobicContact CE-CB 4.09Å; M1045-R1239 HydrophobicContact CE-CG 3.55Å; M1045-R1239 HydrophobicContact SD-CB 3.93Å; M1045-R1239 HydrophobicContact SD-CG 3.86Å |
| 1240 | T | 75.5 | Confident | 84.8 | Confident | 11 Ų | 11 | 36.3 Ų | 36.3 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -123.5 | 169.9 | 174.4 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | T1238 N1242 | T1238-T1240 PolarHBondContact O-N 3.27Å; T1240-N1242 PolarHBondContact O-N 3.48Å; T1240-N1242 PolarHBondContact OG1-N 2.88Å |
| 1241 | F | 73.1 | Confident | 84.8 | Confident | 131 Ų | 131 | 31.6 Ų | 31.6 | 58% | 0.575 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -80.1 | 1.2 | 169.9 | -59.4 | -54.8 | 0 | 0 | 0 | 113.4 | ||
| 1242 | N | 75.5 | Confident | 85 | Confident | 26 Ų | 26 | 29.2 Ų | 29.2 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | trans | -95.8 | 123.4 | -170.5 | -56 | -7.8 | 0 | 0 | 0 | 109.3 | G591 D593 A1237 T1240 H1244 | G591-N1242 WeakPolarHBondContact CA-ND2 3.47Å; D593-N1242 VanDerWaalsContact CG-ND2 3.35Å; D593-N1242 PolarHBondContact OD1-ND2 2.89Å; D593-N1242 PolarHBondContact OD2-ND2 2.95Å; A1237-N1242 WeakPolarHBondContact CB-O 3.29Å; T1240-N1242 PolarHBondContact O-N 3.48Å; T1240-N1242 PolarHBondContact OG1-N 2.88Å; N1242-H1244 PolarHBondContact O-N 2.86Å | ||
| 1243 | T | 83.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 10% | 0.104 | 15% | 0.151 | C | C | . | . | trans | -83.1 | 29.2 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 113 | Q1182 F1184 L1258 N1259 | Q1182-T1243 PolarHBondContact OE1-O 2.79Å; F1184-T1243 HydrophobicContact CD1-CG2 3.58Å; F1184-T1243 HydrophobicContact CE1-CG2 3.49Å; F1184-T1243 VanDerWaalsContact CE1-CG2 3.49Å; F1184-T1243 HydrophobicContact CG-CG2 4.38Å; F1184-T1243 HydrophobicContact CZ-CG2 4.22Å; T1243-L1258 WeakPolarHBondContact CB-O 3.07Å; T1243-L1258 WeakPolarHBondContact CG2-O 3.49Å; T1243-L1258 PolarHBondContact O-N 3.38Å; T1243-L1258 PolarHBondContact OG1-O 3.49Å; T1243-N1259 PolarHBondContact OG1-OD1 2.89Å | ||
| 1244 | H | 88.5 | Confident | 84.9 | Confident | 29 Ų | 29 | 27.4 Ų | 27.4 | 13% | 0.134 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 140.5 | -171.7 | -70.4 | 150 | 0 | 0 | 0 | 113 | D593 Q1182 A1237 N1242 F1246 V1255 S1256 | D593-H1244 IonicContact OD2-CE1 3.27Å; D593-H1244 IonicContact OD2-ND1 3.41Å; D593-H1244 PolarHBondContact OD2-ND1 2.8Å; Q1182-H1244 PolarHBondContact NE2-O 3.3Å; A1237-H1244 HydrophobicContact CB-CB 4.18Å; A1237-H1244 WeakPolarHBondContact CB-O 3.13Å; A1237-H1244 PolarHBondContact N-O 3.28Å; N1242-H1244 PolarHBondContact O-N 2.86Å; H1244-F1246 HydrophobicContact CB-CD2 4.34Å; H1244-F1246 HydrophobicContact CB-CE2 3.68Å; H1244-F1246 HydrophobicContact CB-CZ 3.87Å; H1244-V1255 HydrophobicContact CB-CG1 4.06Å; H1244-S1256 CarbonylContact C-O 3.57Å; H1244-S1256 WeakPolarHBondContact CA-O 3.27Å |
| 1245 | V | 91.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 114.3 | 163.8 | -178.5 | 0 | 0 | 0 | 0 | 107.7 | V1199 T1201 I1207 V1236 W1247 S1256 L1258 | V1199-V1245 HydrophobicContact CG1-CG2 4.07Å; T1201-V1245 HydrophobicContact CG2-CG1 3.51Å; I1207-V1245 HydrophobicContact CD1-CB 3.93Å; I1207-V1245 HydrophobicContact CD1-CG1 4.15Å; I1207-V1245 HydrophobicContact CD1-CG2 3.98Å; V1236-V1245 HydrophobicContact CG1-CG2 4.36Å; V1236-V1245 HydrophobicContact CG2-CG1 4.25Å; V1236-V1245 HydrophobicContact CG2-CG2 4.31Å; V1245-W1247 HydrophobicContact CG1-CZ2 4.1Å; V1245-S1256 PolarHBondContact N-O 3.09Å; V1245-S1256 PolarHBondContact O-N 3.39Å; V1245-L1258 HydrophobicContact CG2-CD1 4.1Å |
| 1246 | F | 92.2 | Very high | 84.3 | Confident | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 142.7 | 179.3 | -58 | -93.9 | 0 | 0 | 0 | 110 | I543 H545 I595 P1234 C1235 A1237 H1244 L1253 L1254 V1255 | I543-F1246 HydrophobicContact CD1-CB 4.31Å; H545-F1246 HydrophobicContact CB-CD2 4.31Å; H545-F1246 HydrophobicContact CB-CE2 4.12Å; H545-F1246 AromaticContact CD2-CE2 3.49Å; H545-F1246 VanDerWaalsContact CD2-CE2 3.49Å; H545-F1246 WeakPolarHBondContact CD2-CE2 3.14Å; H545-F1246 AromaticContact CD2-CZ 3.59Å; H545-F1246 AromaticContact CE1-CE2 3.94Å; H545-F1246 AromaticContact CG-CE2 3.51Å; H545-F1246 AromaticContact ND1-CE2 3.81Å; H545-F1246 AromaticContact NE2-CE2 3.77Å; H545-F1246 AromaticContact NE2-CZ 3.76Å; I595-F1246 HydrophobicContact CD1-CB 4.36Å; I595-F1246 HydrophobicContact CD1-CD1 3.48Å; I595-F1246 VanDerWaalsContact CD1-CD1 3.48Å; I595-F1246 HydrophobicContact CD1-CD2 3.86Å; I595-F1246 HydrophobicContact CD1-CE1 3.62Å; I595-F1246 HydrophobicContact CD1-CE2 3.97Å; I595-F1246 HydrophobicContact CD1-CG 3.63Å; I595-F1246 HydrophobicContact CD1-CZ 3.87Å; I595-F1246 HydrophobicContact CG1-CD1 3.88Å; I595-F1246 HydrophobicContact CG1-CE1 3.77Å; I595-F1246 HydrophobicContact CG1-CZ 4.29Å; P1234-F1246 CarbonylContact C-O 3.56Å; P1234-F1246 WeakPolarHBondContact CA-O 3.24Å; C1235-F1246 HydrophobicContact CB-CB 4.23Å; C1235-F1246 PolarHBondContact N-O 3.34Å; C1235-F1246 PolarHBondContact O-N 2.82Å; A1237-F1246 HydrophobicContact CB-CE2 4.23Å; H1244-F1246 HydrophobicContact CB-CD2 4.34Å; H1244-F1246 HydrophobicContact CB-CE2 3.68Å; H1244-F1246 HydrophobicContact CB-CZ 3.87Å; F1246-L1253 HydrophobicContact CB-CD1 4.19Å; F1246-L1253 HydrophobicContact CD1-CD2 4.23Å; F1246-L1253 HydrophobicContact CD1-CG 4.46Å; F1246-L1254 CarbonylContact C-O 3.54Å; F1246-V1255 HydrophobicContact CD1-CG2 3.4Å; F1246-V1255 VanDerWaalsContact CD1-CG2 3.4Å; F1246-V1255 HydrophobicContact CE1-CG1 4.45Å; F1246-V1255 HydrophobicContact CE1-CG2 3.65Å; F1246-V1255 HydrophobicContact CG-CG2 4.32Å |
| 1247 | W | 91 | Very high | 83.9 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 113.4 | 176.6 | -52.8 | 82.9 | 0 | 0 | 0 | 109.2 | T1201 I1207 Y1224 L1228 T1232 P1234 V1245 I1249 L1254 S1256 | T1201-W1247 HydrophobicContact CG2-CH2 3.63Å; T1201-W1247 HydrophobicContact CG2-CZ2 3.7Å; T1201-W1247 HydrophobicContact CG2-CZ3 4.3Å; I1207-W1247 HydrophobicContact CD1-CZ2 4.07Å; I1207-W1247 HydrophobicContact CG1-CZ2 3.76Å; Y1224-W1247 HydrophobicContact CE2-CB 4.44Å; Y1224-W1247 AromaticContact CE2-CD1 3.76Å; Y1224-W1247 AromaticContact CE2-CD2 3.84Å; Y1224-W1247 HydrophobicContact CE2-CD2 3.84Å; Y1224-W1247 AromaticContact CE2-CE2 3.79Å; Y1224-W1247 AromaticContact CE2-CG 3.81Å; Y1224-W1247 HydrophobicContact CE2-CG 3.81Å; Y1224-W1247 HydrophobicContact CE2-CZ2 4.39Å; Y1224-W1247 AromaticContact CE2-NE1 3.73Å; Y1224-W1247 AromaticContact CZ-CD1 3.97Å; Y1224-W1247 VanDerWaalsContact OH-CD1 3.28Å; L1228-W1247 HydrophobicContact CD1-CE3 3.89Å; L1228-W1247 HydrophobicContact CD1-CH2 4.35Å; L1228-W1247 HydrophobicContact CD1-CZ3 3.49Å; L1228-W1247 VanDerWaalsContact CD1-CZ3 3.49Å; T1232-W1247 HydrophobicContact CG2-CE3 4.01Å; P1234-W1247 HydrophobicContact CB-CD2 4.41Å; P1234-W1247 HydrophobicContact CB-CE3 3.83Å; P1234-W1247 HydrophobicContact CB-CZ3 3.95Å; V1245-W1247 HydrophobicContact CG1-CZ2 4.1Å; W1247-I1249 HydrophobicContact CB-CD1 3.73Å; W1247-I1249 HydrophobicContact CB-CG1 4.1Å; W1247-I1249 PolarHBondContact O-N 3.24Å; W1247-L1254 HydrophobicContact CB-CB 4.46Å; W1247-L1254 PolarHBondContact N-O 2.76Å; W1247-L1254 PolarHBondContact O-N 2.72Å; W1247-S1256 PolarHBondContact NE1-OG 3.07Å; W1247-S1256 VanDerWaalsContact NE1-OG 3.17Å |
| 1248 | S | 90.6 | Very high | 83.6 | Confident | 10 Ų | 10 | 26.6 Ų | 26.6 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 112.8 | 167.6 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | T1232 L1233 | T1232-S1248 WeakPolarHBondContact CA-O 3.26Å; L1233-S1248 PolarHBondContact N-O 2.92Å; L1233-S1248 VanDerWaalsContact N-O 3.17Å; L1233-S1248 PolarHBondContact O-N 3.48Å |
| 1249 | I | 85.1 | Confident | 83.3 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 10% | 0.097 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 108 | -176.3 | -63.2 | 164.4 | 0 | 0 | 0 | 107.7 | Y1224 L1228 P1229 T1232 W1247 C1251 R1252 L1254 | Y1224-I1249 HydrophobicContact CD2-CD1 4.35Å; Y1224-I1249 HydrophobicContact CE2-CD1 4.22Å; L1228-I1249 HydrophobicContact CD2-CD1 3.68Å; L1228-I1249 HydrophobicContact CD2-CG1 4.36Å; P1229-I1249 HydrophobicContact CG-CG2 4.34Å; T1232-I1249 HydrophobicContact CG2-CD1 4.11Å; T1232-I1249 HydrophobicContact CG2-CG1 3.5Å; W1247-I1249 HydrophobicContact CB-CD1 3.73Å; W1247-I1249 HydrophobicContact CB-CG1 4.1Å; W1247-I1249 PolarHBondContact O-N 3.24Å; I1249-C1251 PolarHBondContact O-N 2.74Å; I1249-R1252 PolarHBondContact N-O 2.97Å; I1249-R1252 PolarHBondContact O-N 2.87Å; I1249-R1252 VanDerWaalsContact O-N 3.09Å; I1249-L1254 HydrophobicContact CD1-CD1 3.94Å; I1249-L1254 HydrophobicContact CD1-CG 4.46Å |
| 1250 | G | 77.9 | Confident | 83 | Confident | 35 Ų | 35 | 22.2 Ų | 22.2 | 36% | 0.361 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -133 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1252 | G1250-R1252 PolarHBondContact O-N 2.9Å; G1250-R1252 VanDerWaalsContact O-N 3.15Å |
| 1251 | C | 73.1 | Confident | 82.4 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 9.2 | -179.8 | -51.7 | 0 | 0 | 0 | 0 | 115.2 | D536 I1249 | D536-C1251 WeakPolarHBondContact OD1-CA 3.43Å; D536-C1251 WeakPolarHBondContact OD1-CB 3.39Å; D536-C1251 PolarHBondContact OD1-SG 2.91Å; D536-C1251 WeakPolarHBondContact OD2-CA 3.42Å; D536-C1251 PolarHBondContact OD2-SG 2.95Å; I1249-C1251 PolarHBondContact O-N 2.74Å |
| 1252 | R | 84.2 | Confident | 81.1 | Confident | 25 Ų | 25 | 22.9 Ų | 22.9 | 9% | 0.094 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.9 | -170.2 | -45.9 | -155 | 79.8 | -129.2 | -7.5 | 113 | A44 Y45 G46 C47 D613 I1249 G1250 L1254 | A44-R1252 PolarHBondContact O-NH2 2.88Å; Y45-R1252 WeakPolarHBondContact O-CA 3.17Å; G46-R1252 VanDerWaalsContact O-CZ 3.28Å; G46-R1252 PolarHBondContact O-NE 2.83Å; G46-R1252 PolarHBondContact O-NH2 2.93Å; C47-R1252 VanDerWaalsContact O-CD 3.28Å; C47-R1252 WeakPolarHBondContact O-CD 3.44Å; C47-R1252 WeakPolarHBondContact O-CG 3.17Å; C47-R1252 PolarHBondContact O-NE 2.64Å; D613-R1252 IonicContact OD2-NH2 3.77Å; D613-R1252 PolarHBondContact OD2-NH2 2.73Å; D613-R1252 VanDerWaalsContact OD2-NH2 3.12Å; I1249-R1252 PolarHBondContact N-O 2.97Å; I1249-R1252 PolarHBondContact O-N 2.87Å; I1249-R1252 VanDerWaalsContact O-N 3.09Å; G1250-R1252 PolarHBondContact O-N 2.9Å; G1250-R1252 VanDerWaalsContact O-N 3.15Å; R1252-L1254 HydrophobicContact CB-CD2 3.72Å; R1252-L1254 HydrophobicContact CB-CG 4.44Å |
| 1253 | L | 88.9 | Confident | 79.3 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 108.3 | 166.3 | -176.2 | 71.8 | 0 | 0 | 0 | 107.4 | Y45 M535 I543 I595 I609 F1246 | Y45-L1253 HydrophobicContact CD2-CD2 4.4Å; Y45-L1253 WeakPolarHBondContact CD2-O 3.14Å; Y45-L1253 PolarHBondContact N-O 3.37Å; Y45-L1253 PolarHBondContact O-N 2.8Å; Y45-L1253 VanDerWaalsContact O-N 3.13Å; M535-L1253 HydrophobicContact CE-CB 3.5Å; M535-L1253 VanDerWaalsContact CE-CB 3.5Å; M535-L1253 HydrophobicContact SD-CB 4.23Å; I543-L1253 HydrophobicContact CD1-CD1 3.74Å; I595-L1253 HydrophobicContact CB-CD2 4.32Å; I595-L1253 HydrophobicContact CG1-CD2 4.08Å; I595-L1253 HydrophobicContact CG2-CD2 4.02Å; I609-L1253 HydrophobicContact CD1-CD2 4Å; F1246-L1253 HydrophobicContact CB-CD1 4.19Å; F1246-L1253 HydrophobicContact CD1-CD2 4.23Å; F1246-L1253 HydrophobicContact CD1-CG 4.46Å |
| 1254 | L | 87.7 | Confident | 77 | Confident | 19 Ų | 19 | 32.2 Ų | 32.2 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.6 | 179.2 | -48.7 | -172.2 | 0 | 0 | 0 | 109.2 | A44 Y1224 F1246 W1247 I1249 R1252 | A44-L1254 HydrophobicContact CB-CD2 3.62Å; Y1224-L1254 HydrophobicContact CD1-CD1 4.1Å; Y1224-L1254 HydrophobicContact CE1-CB 4.24Å; Y1224-L1254 HydrophobicContact CE1-CD1 3.46Å; Y1224-L1254 VanDerWaalsContact CE1-CD1 3.46Å; Y1224-L1254 HydrophobicContact CE1-CG 4.5Å; Y1224-L1254 VanDerWaalsContact OH-CB 3.3Å; Y1224-L1254 WeakPolarHBondContact OH-CB 3.13Å; F1246-L1254 CarbonylContact C-O 3.54Å; W1247-L1254 HydrophobicContact CB-CB 4.46Å; W1247-L1254 PolarHBondContact N-O 2.76Å; W1247-L1254 PolarHBondContact O-N 2.72Å; I1249-L1254 HydrophobicContact CD1-CD1 3.94Å; I1249-L1254 HydrophobicContact CD1-CG 4.46Å; R1252-L1254 HydrophobicContact CB-CD2 3.72Å; R1252-L1254 HydrophobicContact CB-CG 4.44Å |
| 1255 | V | 86.8 | Confident | 74.2 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.1 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | Q41 S42 S43 Y45 H1244 F1246 | Q41-V1255 CarbonylContact C-O 3.48Å; Q41-V1255 WeakPolarHBondContact CA-O 3.48Å; S42-V1255 PolarHBondContact N-O 3.44Å; S42-V1255 VanDerWaalsContact N-O 3.15Å; S43-V1255 PolarHBondContact O-N 2.79Å; Y45-V1255 HydrophobicContact CD2-CG2 4.14Å; Y45-V1255 HydrophobicContact CE2-CB 4.32Å; Y45-V1255 HydrophobicContact CE2-CG2 3.61Å; H1244-V1255 HydrophobicContact CB-CG1 4.06Å; F1246-V1255 HydrophobicContact CD1-CG2 3.4Å; F1246-V1255 VanDerWaalsContact CD1-CG2 3.4Å; F1246-V1255 HydrophobicContact CE1-CG1 4.45Å; F1246-V1255 HydrophobicContact CE1-CG2 3.65Å; F1246-V1255 HydrophobicContact CG-CG2 4.32Å |
| 1256 | S | 86 | Confident | 71.1 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126 | 169.6 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | H40 Y1224 H1244 V1245 W1247 | H40-S1256 CarbonylContact O-C 3.58Å; H40-S1256 WeakPolarHBondContact O-CA 3.26Å; Y1224-S1256 PolarHBondContact OH-OG 2.81Å; H1244-S1256 CarbonylContact C-O 3.57Å; H1244-S1256 WeakPolarHBondContact CA-O 3.27Å; V1245-S1256 PolarHBondContact N-O 3.09Å; V1245-S1256 PolarHBondContact O-N 3.39Å; W1247-S1256 PolarHBondContact NE1-OG 3.07Å; W1247-S1256 VanDerWaalsContact NE1-OG 3.17Å |
| 1257 | E | 83.4 | Confident | 68 | Low | 36 Ų | 36 | 49.5 Ų | 49.5 | 17% | 0.168 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.1 | 174.3 | -174.2 | -174.7 | 168 | 0 | 0 | 108.6 | C39 H40 S42 N1259 T1276 | C39-E1257 WeakPolarHBondContact CA-O 3.15Å; H40-E1257 PolarHBondContact N-O 3.13Å; H40-E1257 PolarHBondContact O-N 3.14Å; S42-E1257 WeakPolarHBondContact CB-OE2 3.43Å; E1257-N1259 PolarHBondContact OE1-ND2 3.09Å; E1257-T1276 PolarHBondContact OE2-OG1 2.83Å |
| 1258 | L | 83.7 | Confident | 64.9 | Low | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 105.7 | -177.9 | -62.9 | 172.3 | 0 | 0 | 0 | 109.8 | C39 F1184 V1199 I1207 V1209 F1219 T1243 V1245 | C39-L1258 HydrophobicContact CB-CD2 3.73Å; F1184-L1258 HydrophobicContact CE1-CB 3.89Å; F1184-L1258 WeakPolarHBondContact CE1-O 3.08Å; F1184-L1258 HydrophobicContact CZ-CB 4.4Å; V1199-L1258 HydrophobicContact CG1-CD1 3.66Å; V1199-L1258 HydrophobicContact CG2-CD1 4.24Å; I1207-L1258 HydrophobicContact CD1-CD2 4.25Å; I1207-L1258 HydrophobicContact CG2-CD1 3.88Å; I1207-L1258 HydrophobicContact CG2-CD2 3.99Å; V1209-L1258 HydrophobicContact CG2-CD1 4.19Å; F1219-L1258 HydrophobicContact CD1-CD2 4.45Å; F1219-L1258 HydrophobicContact CE1-CD2 3.94Å; T1243-L1258 WeakPolarHBondContact CB-O 3.07Å; T1243-L1258 WeakPolarHBondContact CG2-O 3.49Å; T1243-L1258 PolarHBondContact O-N 3.38Å; T1243-L1258 PolarHBondContact OG1-O 3.49Å; V1245-L1258 HydrophobicContact CG2-CD1 4.1Å |
| 1259 | N | 76.9 | Confident | 61.8 | Low | 42 Ų | 42 | 58.5 Ų | 58.5 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 133.4 | -176.3 | -71 | -15 | 0 | 0 | 0 | 111.3 | Y37 S38 T1243 E1257 I1261 | Y37-N1259 CarbonylContact C-O 3.59Å; Y37-N1259 VanDerWaalsContact CA-O 3.27Å; Y37-N1259 WeakPolarHBondContact CA-O 3.25Å; S38-N1259 PolarHBondContact N-O 3.09Å; S38-N1259 PolarHBondContact O-N 3.07Å; S38-N1259 VanDerWaalsContact O-N 3.15Å; T1243-N1259 PolarHBondContact OG1-OD1 2.89Å; E1257-N1259 PolarHBondContact OE1-ND2 3.09Å; N1259-I1261 PolarHBondContact O-N 3.46Å |
| 1260 | P | 67.8 | Low | 59 | Low | 29 Ų | 29 | 62 Ų | 62 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 113.6 | 173.3 | 30.5 | -31 | 0 | 0 | 0 | 109.1 | Y37 T1185 P1262 | Y37-P1260 HydrophobicContact CE1-CB 4.46Å; T1185-P1260 WeakPolarHBondContact O-CG 3.22Å; P1260-P1262 WeakPolarHBondContact O-CD 3.44Å |
| 1261 | I | 62.6 | Low | 56.6 | Low | 79 Ų | 79 | 64.1 Ų | 64.1 | 41% | 0.405 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 121.7 | 174.2 | -53.7 | 162.5 | 0 | 0 | 0 | 107.7 | S36 N1259 S1263 | S36-I1261 WeakPolarHBondContact O-CA 3.36Å; S36-I1261 WeakPolarHBondContact O-CB 3.31Å; S36-I1261 VanDerWaalsContact O-CD1 3.29Å; S36-I1261 WeakPolarHBondContact O-CD1 3.3Å; S36-I1261 WeakPolarHBondContact O-CG1 3.38Å; S36-I1261 PolarHBondContact O-N 3.29Å; N1259-I1261 PolarHBondContact O-N 3.46Å; I1261-S1263 PolarHBondContact O-N 3.33Å |
| 1262 | P | 46.4 | Very low | 54.4 | Low | 77 Ų | 77 | 67.5 Ų | 67.5 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | trans | -65 | 135.7 | 177.8 | 26.5 | -34.1 | 0 | 0 | 0 | 110.5 | P1260 L1264 | P1260-P1262 WeakPolarHBondContact O-CD 3.44Å; P1262-L1264 VanDerWaalsContact C-N 3.35Å; P1262-L1264 PolarHBondContact O-N 2.91Å | ||
| 1263 | S | 38.6 | Very low | 51.9 | Low | 94 Ų | 94 | 70.2 Ų | 70.2 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | trans | -74.2 | 80.1 | -172.4 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | I1261 | I1261-S1263 PolarHBondContact O-N 3.33Š| ||
| 1264 | L | 34.6 | Very low | 49.2 | Very low | 146 Ų | 146 | 73.4 Ų | 73.4 | 76% | 0.764 | 45% | 0.454 | S | S | * | . | trans | -121.3 | 143.3 | 173.5 | -78.1 | 167.5 | 0 | 0 | 0 | 111.4 | P1262 S1266 | P1262-L1264 VanDerWaalsContact C-N 3.35Å; P1262-L1264 PolarHBondContact O-N 2.91Å; L1264-S1266 PolarHBondContact O-N 3.48Å | ||
| 1265 | N | 28.6 | Very low | 46.6 | Very low | 169 Ų | 169 | 75.3 Ų | 75.3 | 90% | 0.904 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -73 | 87.4 | -168.6 | -65.5 | -47.2 | 0 | 0 | 0 | 113.3 | ||
| 1266 | S | 28 | Very low | 44.1 | Very low | 103 Ų | 103 | 77 Ų | 77 | 72% | 0.72 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -153.4 | 160.1 | 159.1 | 78.7 | 0 | 0 | 0 | 0 | 113.3 | L1264 A1268 | L1264-S1266 PolarHBondContact O-N 3.48Å; S1266-A1268 VanDerWaalsContact C-N 3.35Å; S1266-A1268 PolarHBondContact O-N 3.46Å; S1266-A1268 VanDerWaalsContact O-N 3.14Å |
| 1267 | S | 26.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 83.9 Ų | 83.9 | 85% | 0.846 | 51% | 0.511 | S | S | * | . | trans | -84.7 | 73 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 111.3 | T1269 | S1267-T1269 PolarHBondContact O-N 3.19Š| ||
| 1268 | A | 26.1 | Very low | 39.5 | Very low | 85 Ų | 85 | 86.6 Ų | 86.6 | 70% | 0.702 | 53% | 0.527 | S | S | * | . | trans | -78 | 100.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | S1266 | S1266-A1268 VanDerWaalsContact C-N 3.35Å; S1266-A1268 PolarHBondContact O-N 3.46Å; S1266-A1268 VanDerWaalsContact O-N 3.14Å | ||
| 1269 | T | 25.3 | Very low | 37.6 | Very low | 113 Ų | 113 | 92 Ų | 92 | 69% | 0.693 | 55% | 0.55 | S | S | * | * | trans | -67.4 | 130.4 | 163.7 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | S1267 V1271 | S1267-T1269 PolarHBondContact O-N 3.19Å; T1269-V1271 PolarHBondContact O-N 3.47Å | ||
| 1270 | P | 26.1 | Very low | 36.2 | Very low | 92 Ų | 92 | 91.5 Ų | 91.5 | 60% | 0.597 | 55% | 0.548 | S | S | * | . | trans | -62.7 | 109.3 | 170 | 26.9 | -32.6 | 0 | 0 | 0 | 108.1 | S1272 | P1270-S1272 PolarHBondContact O-N 2.77Š| ||
| 1271 | V | 26.7 | Very low | 35.4 | Very low | 81 Ų | 81 | 90.7 Ų | 90.7 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | trans | -72.9 | 108.3 | 167.3 | 176.4 | 0 | 0 | 0 | 0 | 105.2 | T1269 D1273 | T1269-V1271 PolarHBondContact O-N 3.47Å; V1271-D1273 HydrophobicContact CG1-CB 4.47Å; V1271-D1273 PolarHBondContact O-N 3.45Å | ||
| 1272 | S | 28.9 | Very low | 35 | Very low | 101 Ų | 101 | 87.2 Ų | 87.2 | 71% | 0.706 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -72 | 34.9 | -175.4 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | R86 P1270 | R86-S1272 PolarHBondContact NH1-O 3.25Å; P1270-S1272 PolarHBondContact O-N 2.77Å |
| 1273 | D | 31.5 | Very low | 35.5 | Very low | 82 Ų | 82 | 87.3 Ų | 87.3 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -134.3 | 132.7 | 175.2 | -79.1 | -50.6 | 0 | 0 | 0 | 111.9 | R86 V1271 I1275 | R86-D1273 VanDerWaalsContact CD-OD1 3.3Å; R86-D1273 WeakPolarHBondContact CD-OD1 3.44Å; R86-D1273 WeakPolarHBondContact CG-OD1 3.28Å; R86-D1273 IonicContact CZ-OD1 2.78Å; R86-D1273 IonicContact NE-OD1 2.78Å; R86-D1273 IonicContact NH1-OD1 2.96Å; R86-D1273 PolarHBondContact NH1-OD1 2.72Å; V1271-D1273 HydrophobicContact CG1-CB 4.47Å; V1271-D1273 PolarHBondContact O-N 3.45Å; D1273-I1275 PolarHBondContact O-N 3.16Å |
| 1274 | V | 31.7 | Very low | 36.6 | Very low | 69 Ų | 69 | 83.3 Ų | 83.3 | 42% | 0.418 | 49% | 0.491 | S | S | . | . | trans | -66.1 | 111.3 | -156.2 | -177 | 0 | 0 | 0 | 0 | 113.2 | Q41 | Q41-V1274 WeakPolarHBondContact O-CG1 3.48Å; Q41-V1274 VanDerWaalsContact O-CG2 3.26Å; Q41-V1274 WeakPolarHBondContact O-CG2 3.28Å | ||
| 1275 | I | 33.4 | Very low | 37.6 | Very low | 60 Ų | 60 | 78.7 Ų | 78.7 | 31% | 0.308 | 47% | 0.469 | S | S | . | . | trans | -147 | 110.1 | 149 | -50.4 | -178.4 | 0 | 0 | 0 | 107.5 | R123 D1273 F1279 | R123-I1275 HydrophobicContact CG-CD1 3.95Å; D1273-I1275 PolarHBondContact O-N 3.16Å; I1275-F1279 HydrophobicContact CB-CZ 4.39Å; I1275-F1279 HydrophobicContact CD1-CD1 4.17Å; I1275-F1279 HydrophobicContact CD1-CE1 3.36Å; I1275-F1279 HydrophobicContact CD1-CE2 4.39Å; I1275-F1279 HydrophobicContact CD1-CZ 3.51Å; I1275-F1279 HydrophobicContact CG2-CD1 4.37Å; I1275-F1279 HydrophobicContact CG2-CD2 3.93Å; I1275-F1279 HydrophobicContact CG2-CE1 4.24Å; I1275-F1279 HydrophobicContact CG2-CE2 3.78Å; I1275-F1279 HydrophobicContact CG2-CG 4.24Å; I1275-F1279 HydrophobicContact CG2-CZ 3.96Å | ||
| 1276 | T | 34.4 | Very low | 39 | Very low | 36 Ų | 36 | 78.3 Ų | 78.3 | 22% | 0.221 | 46% | 0.462 | C | S | . | . | trans | -101.8 | 176.4 | 161.3 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | H40 E1257 D1278 | H40-T1276 HydrophobicContact CB-CG2 3.99Å; E1257-T1276 PolarHBondContact OE2-OG1 2.83Å; T1276-D1278 PolarHBondContact O-N 2.92Å | ||
| 1277 | D | 35 | Very low | 40.5 | Very low | 147 Ų | 147 | 77.6 Ų | 77.6 | 79% | 0.786 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -68.3 | 76.7 | -154.2 | -63.8 | -72.7 | 0 | 0 | 0 | 117.2 | ||
| 1278 | D | 38.2 | Very low | 42 | Very low | 93 Ų | 93 | 72.2 Ų | 72.2 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | trans | -162.3 | 106.6 | 137.3 | -102.9 | -35.6 | 0 | 0 | 0 | 108.2 | R611 T1276 I1280 | R611-D1278 IonicContact CZ-OD2 3.27Å; R611-D1278 IonicContact NH1-OD2 3.27Å; R611-D1278 PolarHBondContact NH1-OD2 2.88Å; R611-D1278 IonicContact NH2-OD2 3.81Å; R611-D1278 PolarHBondContact NH2-OD2 3.03Å; T1276-D1278 PolarHBondContact O-N 2.92Å; D1278-I1280 VanDerWaalsContact C-N 3.31Å; D1278-I1280 PolarHBondContact O-N 2.88Å | ||
| 1279 | F | 41.9 | Very low | 43.7 | Very low | 112 Ų | 112 | 72.9 Ų | 72.9 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -71.7 | 85.7 | 176.7 | -102.2 | -89.1 | 0 | 0 | 0 | 110.4 | C121 I1275 A1281 | C121-F1279 HydrophobicContact CB-CD1 4.42Å; C121-F1279 HydrophobicContact CB-CE1 3.98Å; C121-F1279 WeakPolarHBondContact O-CD1 3.35Å; C121-F1279 VanDerWaalsContact O-CE1 3.29Å; C121-F1279 WeakPolarHBondContact O-CE1 3.4Å; I1275-F1279 HydrophobicContact CB-CZ 4.39Å; I1275-F1279 HydrophobicContact CD1-CD1 4.17Å; I1275-F1279 HydrophobicContact CD1-CE1 3.36Å; I1275-F1279 HydrophobicContact CD1-CE2 4.39Å; I1275-F1279 HydrophobicContact CD1-CZ 3.51Å; I1275-F1279 HydrophobicContact CG2-CD1 4.37Å; I1275-F1279 HydrophobicContact CG2-CD2 3.93Å; I1275-F1279 HydrophobicContact CG2-CE1 4.24Å; I1275-F1279 HydrophobicContact CG2-CE2 3.78Å; I1275-F1279 HydrophobicContact CG2-CG 4.24Å; I1275-F1279 HydrophobicContact CG2-CZ 3.96Å; F1279-A1281 PolarHBondContact O-N 3.46Å | ||
| 1280 | I | 49 | Very low | 45 | Very low | 32 Ų | 32 | 71.2 Ų | 71.2 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | trans | -70.9 | 74.9 | 168.7 | -58.1 | 169.6 | 0 | 0 | 0 | 108.1 | I80 H580 F586 D1278 I1282 | I80-I1280 HydrophobicContact CD1-CG2 4.48Å; H580-I1280 HydrophobicContact CB-CG2 3.92Å; F586-I1280 HydrophobicContact CB-CD1 4.05Å; F586-I1280 HydrophobicContact CD1-CD1 3.63Å; F586-I1280 HydrophobicContact CD1-CG1 4.11Å; F586-I1280 HydrophobicContact CD1-CG2 4.4Å; F586-I1280 HydrophobicContact CE1-CD1 4.43Å; F586-I1280 HydrophobicContact CE1-CG1 4.45Å; F586-I1280 HydrophobicContact CE1-CG2 4.37Å; F586-I1280 HydrophobicContact CG-CD1 3.95Å; D1278-I1280 VanDerWaalsContact C-N 3.31Å; D1278-I1280 PolarHBondContact O-N 2.88Å; I1280-I1282 PolarHBondContact O-N 3.25Å; I1280-I1282 VanDerWaalsContact O-N 3.1Å | ||
| 1281 | A | 50.6 | Low | 45.9 | Very low | 13 Ų | 13 | 72.9 Ų | 72.9 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -66.6 | 105.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | F1279 H1283 | F1279-A1281 PolarHBondContact O-N 3.46Å; A1281-H1283 PolarHBondContact O-N 3.04Å; A1281-H1283 VanDerWaalsContact O-N 3.12Å | ||
| 1282 | I | 53.3 | Low | 46.5 | Very low | 6 Ų | 6 | 75.7 Ų | 75.7 | 3% | 0.031 | 40% | 0.401 | C | S | . | . | trans | -66.4 | 116.1 | 173.6 | -74.4 | 178.8 | 0 | 0 | 0 | 109 | I80 F82 L117 S119 I1280 L1284 | I80-I1282 HydrophobicContact CD1-CD1 4.26Å; I80-I1282 HydrophobicContact CD1-CG1 4.43Å; I80-I1282 HydrophobicContact CG2-CD1 3.66Å; F82-I1282 HydrophobicContact CE2-CD1 3.32Å; F82-I1282 HydrophobicContact CE2-CG1 4.32Å; F82-I1282 HydrophobicContact CZ-CD1 3.36Å; F82-I1282 HydrophobicContact CZ-CG1 3.87Å; L117-I1282 HydrophobicContact CD2-CG2 4.44Å; S119-I1282 WeakPolarHBondContact CA-O 3.19Å; S119-I1282 WeakPolarHBondContact CB-O 3.42Å; I1280-I1282 PolarHBondContact O-N 3.25Å; I1280-I1282 VanDerWaalsContact O-N 3.1Å; I1282-L1284 PolarHBondContact O-N 3.44Å; I1282-L1284 VanDerWaalsContact O-N 3.13Å | ||
| 1283 | H | 57.6 | Low | 46.7 | Very low | 79 Ų | 79 | 79.7 Ų | 79.7 | 37% | 0.366 | 41% | 0.406 | S | S | . | . | trans | -72.1 | 101.6 | 160 | -74.4 | -21.8 | 0 | 0 | 0 | 109.5 | A1281 | A1281-H1283 PolarHBondContact O-N 3.04Å; A1281-H1283 VanDerWaalsContact O-N 3.12Å | ||
| 1284 | L | 61.2 | Low | 46.5 | Very low | 10 Ų | 10 | 82.8 Ų | 82.8 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | trans | -49.7 | 143.5 | 155.2 | -71.2 | 174.2 | 0 | 0 | 0 | 108.7 | L60 L117 I1282 A1288 R1289 | L60-L1284 HydrophobicContact CD1-CD2 3.75Å; L60-L1284 HydrophobicContact CD2-CD2 3.95Å; L117-L1284 HydrophobicContact CD2-CD2 4.28Å; L117-L1284 HydrophobicContact CD2-CG 4.42Å; I1282-L1284 PolarHBondContact O-N 3.44Å; I1282-L1284 VanDerWaalsContact O-N 3.13Å; L1284-A1288 HydrophobicContact CB-CB 4.13Å; L1284-R1289 HydrophobicContact CB-CG 4.08Å; L1284-R1289 PolarHBondContact O-NE 3.42Å; L1284-R1289 PolarHBondContact O-NH2 3.03Å | ||
| 1285 | P | 56.7 | Low | 46.4 | Very low | 48 Ų | 48 | 85.9 Ų | 85.9 | 31% | 0.312 | 44% | 0.442 | S | S | . | . | trans | -49.2 | 151.5 | 169.3 | -27.3 | 34.7 | 0 | 0 | 0 | 111.7 | L60 W1287 A1288 R1289 | L60-P1285 HydrophobicContact CD2-CG 4.23Å; P1285-W1287 VanDerWaalsContact C-N 3.26Å; P1285-W1287 HydrophobicContact CB-CD2 4.18Å; P1285-W1287 HydrophobicContact CB-CG 4.22Å; P1285-W1287 HydrophobicContact CB-CZ2 4.01Å; P1285-W1287 VanDerWaalsContact CB-NE1 3.29Å; P1285-W1287 HydrophobicContact CG-CZ2 3.93Å; P1285-W1287 PolarHBondContact O-N 2.91Å; P1285-A1288 HydrophobicContact CB-CB 4.08Å; P1285-A1288 HydrophobicContact CG-CB 4.3Å; P1285-A1288 WeakPolarHBondContact O-CA 3.33Å; P1285-A1288 WeakPolarHBondContact O-CB 3.43Å; P1285-A1288 PolarHBondContact O-N 2.93Å; P1285-R1289 PolarHBondContact O-N 3.11Å | ||
| 1286 | E | 56.5 | Low | 46.1 | Very low | 162 Ų | 162 | 87.5 Ų | 87.5 | 76% | 0.757 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -61 | -36.5 | -175.4 | -169.9 | 160.1 | -143.6 | 0 | 0 | 112.5 | A1288 R1289 | E1286-A1288 PolarHBondContact O-N 3.37Å; E1286-R1289 PolarHBondContact O-N 2.7Å |
| 1287 | W | 61 | Low | 45.8 | Very low | 88 Ų | 88 | 91.3 Ų | 91.3 | 33% | 0.333 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -67 | -20.4 | 173.1 | 64.6 | -104.4 | 0 | 0 | 0 | 114.3 | F59 L60 G99 P497 P1285 | F59-W1287 HydrophobicContact CB-CH2 3.8Å; F59-W1287 HydrophobicContact CB-CZ2 4.38Å; L60-W1287 HydrophobicContact CD2-CH2 4.31Å; G99-W1287 WeakPolarHBondContact O-CZ3 3.28Å; P497-W1287 HydrophobicContact CG-CZ2 3.95Å; P1285-W1287 VanDerWaalsContact C-N 3.26Å; P1285-W1287 HydrophobicContact CB-CD2 4.18Å; P1285-W1287 HydrophobicContact CB-CG 4.22Å; P1285-W1287 HydrophobicContact CB-CZ2 4.01Å; P1285-W1287 VanDerWaalsContact CB-NE1 3.29Å; P1285-W1287 HydrophobicContact CG-CZ2 3.93Å; P1285-W1287 PolarHBondContact O-N 2.91Å |
| 1288 | A | 57.2 | Low | 45.5 | Very low | 8 Ų | 8 | 92.3 Ų | 92.3 | 7% | 0.066 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -93.5 | -9.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | L60 G99 L1284 P1285 E1286 | L60-A1288 HydrophobicContact CD2-CB 4.3Å; G99-A1288 WeakPolarHBondContact O-CB 3.33Å; L1284-A1288 HydrophobicContact CB-CB 4.13Å; P1285-A1288 HydrophobicContact CB-CB 4.08Å; P1285-A1288 HydrophobicContact CG-CB 4.3Å; P1285-A1288 WeakPolarHBondContact O-CA 3.33Å; P1285-A1288 WeakPolarHBondContact O-CB 3.43Å; P1285-A1288 PolarHBondContact O-N 2.93Å; E1286-A1288 PolarHBondContact O-N 3.37Å |
| 1289 | R | 61.6 | Low | 45 | Very low | 99 Ų | 99 | 95.2 Ų | 95.2 | 37% | 0.374 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -78.8 | 134.7 | 179.1 | -67.6 | 172.9 | -162.7 | -168.1 | 2.8 | 109.9 | L1284 P1285 E1286 T1291 | L1284-R1289 HydrophobicContact CB-CG 4.08Å; L1284-R1289 PolarHBondContact O-NE 3.42Å; L1284-R1289 PolarHBondContact O-NH2 3.03Å; P1285-R1289 PolarHBondContact O-N 3.11Å; E1286-R1289 PolarHBondContact O-N 2.7Å; R1289-T1291 PolarHBondContact O-N 3.39Å |
| 1290 | T | 53.1 | Low | 44.4 | Very low | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | trans | -57.6 | 112.1 | 167 | 39.3 | 0 | 0 | 0 | 0 | 109.5 | N1292 | T1290-N1292 VanDerWaalsContact C-N 3.28Å; T1290-N1292 PolarHBondContact O-N 3.09Å | ||
| 1291 | T | 44.8 | Very low | 43.6 | Very low | 128 Ų | 128 | 103.1 Ų | 103.1 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | trans | -69.2 | 92.3 | 170.4 | 47.5 | 0 | 0 | 0 | 0 | 108.1 | R1289 K1293 | R1289-T1291 PolarHBondContact O-N 3.39Å; T1291-K1293 VanDerWaalsContact C-N 3.25Å; T1291-K1293 PolarHBondContact O-N 2.8Å | ||
| 1292 | N | 38.6 | Very low | 42.8 | Very low | 139 Ų | 139 | 108.8 Ų | 108.8 | 74% | 0.743 | 57% | 0.567 | S | S | * | * | trans | -56.9 | 99.2 | 160.3 | -85.2 | -13.5 | 0 | 0 | 0 | 106.9 | T1290 D1294 | T1290-N1292 VanDerWaalsContact C-N 3.28Å; T1290-N1292 PolarHBondContact O-N 3.09Å; N1292-D1294 PolarHBondContact O-N 3.35Å | ||
| 1293 | K | 32.5 | Very low | 41.7 | Very low | 186 Ų | 186 | 116.5 Ų | 116.5 | 81% | 0.809 | 60% | 0.6 | S | S | * | * | trans | -62.7 | 98.4 | 156.5 | -75.4 | -172.7 | 174.8 | -175.1 | 0 | 105.5 | T1291 V1295 | T1291-K1293 VanDerWaalsContact C-N 3.25Å; T1291-K1293 PolarHBondContact O-N 2.8Å; K1293-V1295 PolarHBondContact O-N 2.95Å; K1293-V1295 VanDerWaalsContact O-N 3.13Å | ||
| 1294 | D | 27.9 | Very low | 40.5 | Very low | 146 Ų | 146 | 119.4 Ų | 119.4 | 78% | 0.781 | 62% | 0.617 | S | S | * | * | trans | -45.5 | 124.7 | 161.1 | -85.2 | -40.8 | 0 | 0 | 0 | 107.1 | N1292 S1296 | N1292-D1294 PolarHBondContact O-N 3.35Å; D1294-S1296 PolarHBondContact O-N 3.26Å | ||
| 1295 | V | 29.9 | Very low | 39.1 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -74.6 | 74.9 | 174.2 | -178 | 0 | 0 | 0 | 0 | 106.4 | K1293 V1297 | K1293-V1295 PolarHBondContact O-N 2.95Å; K1293-V1295 VanDerWaalsContact O-N 3.13Å; V1295-V1297 VanDerWaalsContact C-N 3.34Å; V1295-V1297 PolarHBondContact O-N 3.21Å | ||
| 1296 | S | 26.8 | Very low | 38 | Very low | 93 Ų | 93 | 127.4 Ų | 127.4 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | trans | -61.7 | 98.6 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 107.2 | D1294 E1298 | D1294-S1296 PolarHBondContact O-N 3.26Å; S1296-E1298 PolarHBondContact O-N 3.48Å | ||
| 1297 | V | 29.1 | Very low | 36.8 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 70% | 0.703 | 66% | 0.664 | S | S | * | * | trans | -59.9 | 102.9 | 177.2 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | V1295 N1299 | V1295-V1297 VanDerWaalsContact C-N 3.34Å; V1295-V1297 PolarHBondContact O-N 3.21Å; V1297-N1299 VanDerWaalsContact C-N 3.26Å; V1297-N1299 PolarHBondContact O-N 3.43Å | ||
| 1298 | E | 28.8 | Very low | 35.3 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | -67 | 85.3 | 177.7 | -70.9 | -170.3 | 137 | 0 | 0 | 109.8 | S1296 E1300 | S1296-E1298 PolarHBondContact O-N 3.48Å; E1298-E1300 PolarHBondContact O-N 3.49Å | ||
| 1299 | N | 27.7 | Very low | 34 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 71% | 0.711 | S | S | * | * | trans | -72.2 | 63.8 | 160.9 | -94.3 | -45.5 | 0 | 0 | 0 | 109.5 | V1297 N1301 | V1297-N1299 VanDerWaalsContact C-N 3.26Å; V1297-N1299 PolarHBondContact O-N 3.43Å; N1299-N1301 PolarHBondContact O-N 3.07Å | ||
| 1300 | E | 28.6 | Very low | 32.5 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -59.2 | 98.8 | 163.1 | -99.3 | -104.4 | 116.8 | 0 | 0 | 108.4 | E1298 | E1298-E1300 PolarHBondContact O-N 3.49Š| ||
| 1301 | N | 32 | Very low | 31.4 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 75% | 0.748 | S | S | * | * | trans | -158.8 | 128.6 | 152.6 | -112.6 | -76.5 | 0 | 0 | 0 | 113.2 | N1299 | N1299-N1301 PolarHBondContact O-N 3.07Š| ||
| 1302 | L | 33 | Very low | 30.7 | Very low | 133 Ų | 133 | 137 Ų | 137 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | 80 | 86 | 156.2 | -55.8 | 166.1 | 0 | 0 | 0 | 120.1 | ||||
| 1303 | K | 31.6 | Very low | 30.2 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | 107.2 | 113.3 | 113.7 | -74.1 | 174.2 | 174.4 | 168.7 | 0 | 121.6 | |||||
| 1304 | I | 32 | Very low | 30.5 | Very low | 139 Ų | 139 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | 79.6 | 85.4 | 122.7 | -59.5 | 170.1 | 0 | 0 | 0 | 118.6 | |||||
| 1305 | S | 32.2 | Very low | 30.5 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | 78.1 | 137.1 | 118.3 | 83.8 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1306 | N | 32.7 | Very low | 30.3 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 93.8 | 93.9 | 139.3 | -66.9 | -7.2 | 0 | 0 | 0 | 122.7 | ||||
| 1307 | Q | 31.9 | Very low | 30.3 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | 70 | 110.7 | 118 | -72.1 | -175.5 | -16.7 | 0 | 0 | 122.6 | |||||
| 1308 | T | 29.2 | Very low | 30.3 | Very low | 109 Ų | 109 | 137.2 Ų | 137.2 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | 55.6 | 127.7 | 129.8 | 66.5 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1309 | N | 30.3 | Very low | 30.2 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | -172.1 | 147.1 | 61.7 | -96 | -58.2 | 0 | 0 | 0 | 114.8 | |||||
| 1310 | L | 30 | Very low | 30.2 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 73% | 0.733 | S | S | * | * | trans | 48.1 | 132.8 | 137.8 | -67.1 | 162.4 | 0 | 0 | 0 | 124.5 | ||||
| 1311 | A | 28.9 | Very low | 30.2 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | 74.6 | 148.9 | 145.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1312 | S | 31 | Very low | 30 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | cis | -157.3 | 141 | 2.9 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1313 | E | 27.5 | Very low | 29.7 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | trans | 50.8 | 156.6 | 145.6 | -67.5 | -164.5 | 145.5 | 0 | 0 | 124.8 | ||||
| 1314 | P | 40.2 | Very low | 29.6 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 73% | 0.727 | S | S | * | * | trans | -116.2 | -178.4 | -173.7 | 44.2 | -33.1 | 0 | 0 | 0 | 114.8 | ||||
| 1315 | L | 26.3 | Very low | 29.5 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 168.6 | 137.8 | 138.6 | -93.3 | 159.4 | 0 | 0 | 0 | 113.9 | ||||
| 1316 | Q | 26.8 | Very low | 29.4 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | 51.9 | 152.4 | 141.2 | -77.1 | 171.8 | -1 | 0 | 0 | 122.1 | ||||
| 1317 | S | 27.5 | Very low | 29.2 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | cis | -167.5 | 173.3 | -6.4 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1318 | T | 27.1 | Very low | 28.9 | Very low | 110 Ų | 110 | 132 Ų | 132 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | trans | 65.4 | 108.4 | 144.6 | 44.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1319 | E | 27 | Very low | 28.9 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | 75.1 | 133.3 | 116.8 | -89.7 | -179.6 | -130.9 | 0 | 0 | 125.6 | |||||
| 1320 | N | 28.4 | Very low | 28.6 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | 102.2 | 111.7 | 132.4 | -72.5 | -19.2 | 0 | 0 | 0 | 124.6 | ||||
| 1321 | I | 28.6 | Very low | 28.5 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | 99.5 | 125.3 | 117 | -76.1 | 172.6 | 0 | 0 | 0 | 122.4 | |||||
| 1322 | T | 27.9 | Very low | 28.9 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | 71.1 | 107 | 155.3 | 44.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1323 | T | 27.1 | Very low | 28.7 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | 57.6 | 135 | 117.1 | 60.3 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 1324 | D | 28.6 | Very low | 28.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | 106.6 | 121.8 | 134.4 | -72.4 | -6.6 | 0 | 0 | 0 | 123.9 | ||||
| 1325 | E | 29.9 | Very low | 27.8 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | trans | 63.5 | 140.1 | 143 | -67.9 | -151.6 | 118.2 | 0 | 0 | 121.1 | ||||
| 1326 | K | 29.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | cis | -175.8 | 161.8 | 31.8 | -130.4 | 169.7 | 172.8 | 80.4 | 0 | 112.7 | ||||
| 1327 | T | 29.6 | Very low | 27.8 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | trans | 64.8 | 111.4 | 151 | 51.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1328 | N | 25.9 | Very low | 27.8 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | 52.1 | 125.3 | 118.3 | -60.8 | 1.4 | 0 | 0 | 0 | 123.6 | |||||
| 1329 | G | 28.8 | Very low | 27.7 | Very low | 80 Ų | 80 | 138.2 Ų | 138.2 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -156.2 | 141 | 152 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1330 | C | 24.1 | Very low | 28.1 | Very low | 138 Ų | 138 | 135.3 Ų | 135.3 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | trans | -150 | 173.1 | -172.2 | -165.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1331 | A | 28.2 | Very low | 27.8 | Very low | 92 Ų | 92 | 135 Ų | 135 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | trans | 94.6 | 151.1 | 171 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1332 | P | 36.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -129.6 | 176.5 | -152.8 | 41.9 | -25.1 | 0 | 0 | 0 | 116 | ||||
| 1333 | V | 25.8 | Very low | 27.7 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -171.7 | 145 | 164.8 | 131.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1334 | V | 26.8 | Very low | 27.6 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | cis | -162.4 | 167.8 | -26.4 | 79.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1335 | E | 23.2 | Very low | 27.6 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -89.2 | 148.7 | 173.6 | -62.3 | 179.2 | 129.1 | 0 | 0 | 112.9 | ||||
| 1336 | E | 28.6 | Very low | 27.5 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | -142.2 | 154.8 | 155.7 | -107.6 | -168.2 | 178.3 | 0 | 0 | 111.7 | ||||
| 1337 | E | 23.1 | Very low | 27.4 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -122.9 | 133.6 | -159.1 | 173.1 | -169.8 | -134.8 | 0 | 0 | 112.1 | I1339 | E1337-I1339 HydrophobicContact CG-CD1 4.31Å; E1337-I1339 HydrophobicContact CG-CG1 3.98Å | ||
| 1338 | I | 28.9 | Very low | 27.3 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | trans | -137.5 | 133.8 | 163.4 | -59.4 | -176 | 0 | 0 | 0 | 111.3 | ||||
| 1339 | I | 24.6 | Very low | 27.5 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -133.3 | 176.8 | -177.8 | -3.3 | 169.6 | 0 | 0 | 0 | 107.6 | E1337 | E1337-I1339 HydrophobicContact CG-CD1 4.31Å; E1337-I1339 HydrophobicContact CG-CG1 3.98Å | ||
| 1340 | P | 34.5 | Very low | 27.3 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 63% | 0.63 | 76% | 0.759 | S | S | * | * | cis | -142.2 | -166.8 | -13.5 | 42 | -22.8 | 0 | 0 | 0 | 115.5 | ||||
| 1341 | T | 23.3 | Very low | 27.6 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | 69.9 | 137.4 | 155 | 53.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1342 | N | 28.7 | Very low | 27.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -138.4 | 152.7 | 33.9 | -84.5 | -67.1 | 0 | 0 | 0 | 111.6 | ||||
| 1343 | K | 25.6 | Very low | 27.4 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 70% | 0.7 | 75% | 0.752 | S | S | * | * | 50.8 | 137.9 | 74.7 | -66.4 | -180 | 176.5 | -179.9 | 0 | 113 | |||||
| 1344 | M | 25.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | cis | -162.7 | 159.1 | 13.9 | -128 | 153.7 | 157.8 | 0 | 0 | 106.7 | ||||
| 1345 | N | 29.2 | Very low | 27.6 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | -167.2 | 162.9 | 53.5 | -88.7 | -45.6 | 0 | 0 | 0 | 110.9 | |||||
| 1346 | D | 26.2 | Very low | 27.9 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -133.3 | 139.5 | 154.2 | -133 | -24.1 | 0 | 0 | 0 | 107.9 | ||||
| 1347 | T | 29.2 | Very low | 27.8 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 67% | 0.669 | 73% | 0.729 | S | S | * | * | trans | -148.7 | 95.1 | -179.5 | -32.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1348 | I | 27.2 | Very low | 28.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 65% | 0.651 | 73% | 0.733 | S | S | * | * | 58.1 | 118.3 | 74.3 | -50.4 | 172.3 | 0 | 0 | 0 | 113 | |||||
| 1349 | L | 28.6 | Very low | 28.4 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 154 | 147.2 | 135.4 | -99.6 | 103.4 | 0 | 0 | 0 | 110.2 | ||||
| 1350 | E | 26.1 | Very low | 28.6 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | cis | -171.9 | -177.9 | -31.3 | -131.1 | 179.4 | -176.6 | 0 | 0 | 110.6 | ||||
| 1351 | N | 29.9 | Very low | 28.2 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | 93.5 | 126.9 | 169.6 | -52.7 | -69.6 | 0 | 0 | 0 | 116.9 | ||||
| 1352 | G | 28.9 | Very low | 28.4 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | cis | 165.1 | 163.9 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1353 | Q | 32.2 | Very low | 28.4 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 68.6 | 145.7 | 170.1 | -57.4 | -173.9 | -27.1 | 0 | 0 | 117.5 | ||||
| 1354 | N | 31.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | cis | -160.5 | 142.5 | -26.1 | -114.4 | -12.7 | 0 | 0 | 0 | 111.7 | ||||
| 1355 | I | 26.2 | Very low | 28.7 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | 33.9 | 123.8 | 140 | -55 | 166.9 | 0 | 0 | 0 | 119.1 | ||||
| 1356 | G | 29.3 | Very low | 28.7 | Very low | 67 Ų | 67 | 143.9 Ų | 143.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -173.2 | 90.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1357 | D | 26.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -66.8 | 131.8 | 172.1 | -72.1 | -56.9 | 0 | 0 | 0 | 111 | ||||
| 1358 | V | 32.1 | Very low | 28.9 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -105.2 | 98 | 170 | -179.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1359 | T | 31.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -74.9 | 158.8 | 173.6 | 45.6 | 0 | 0 | 0 | 0 | 112.2 | D1361 | T1359-D1361 VanDerWaalsContact C-N 3.33Å; T1359-D1361 PolarHBondContact O-N 3.34Å | ||
| 1360 | L | 29.4 | Very low | 29.2 | Very low | 175 Ų | 175 | 144 Ų | 144 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -80.6 | 70 | -170.4 | -161.4 | 154.9 | 0 | 0 | 0 | 111.7 | ||
| 1361 | D | 25.9 | Very low | 29.2 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 31.1 | -179.8 | -114.3 | -32.6 | 0 | 0 | 0 | 114.7 | T1359 | T1359-D1361 VanDerWaalsContact C-N 3.33Å; T1359-D1361 PolarHBondContact O-N 3.34Å | ||
| 1362 | S | 28.2 | Very low | 29.2 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -117.6 | 37.8 | -173.8 | -61 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1363 | I | 28.8 | Very low | 29.3 | Very low | 168 Ų | 168 | 146.2 Ų | 146.2 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -127.3 | 73.5 | 170.2 | -51.6 | 179.8 | 0 | 0 | 0 | 109.3 | ||||
| 1364 | K | 28.1 | Very low | 29.1 | Very low | 202 Ų | 202 | 144.5 Ų | 144.5 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -157.3 | 31.9 | 176.2 | -127.6 | 169.4 | -168.5 | 172.2 | 0 | 117.6 | ||||
| 1365 | E | 28.6 | Very low | 29.2 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -147.3 | 169.7 | 161.2 | -115.8 | 165.4 | -168.7 | 0 | 0 | 109.8 | ||
| 1366 | Y | 28.1 | Very low | 29.5 | Very low | 220 Ų | 220 | 140 Ų | 140 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | 69 | 49.5 | -173.9 | -54.7 | -78.6 | 0 | 0 | 0 | 117.7 | ||||
| 1367 | L | 29.8 | Very low | 29.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -129.5 | 102.3 | 150.8 | -77.6 | 178.8 | 0 | 0 | 0 | 110.7 | ||||
| 1368 | N | 29.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 138.6 Ų | 138.6 | 96% | 0.963 | 76% | 0.755 | S | S | * | * | trans | -150.7 | 76.1 | 168.8 | -112.5 | -21.8 | 0 | 0 | 0 | 108.1 | ||||
| 1369 | G | 32.5 | Very low | 30.2 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -180 | 137.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1370 | T | 30.1 | Very low | 30.6 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -81 | 154.2 | -172.1 | 43.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1371 | D | 27.4 | Very low | 30.8 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | 59.8 | 90.4 | 164.8 | -52.8 | -24.8 | 0 | 0 | 0 | 116.9 | ||||
| 1372 | V | 29.9 | Very low | 31.1 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | -131 | 124.7 | 169.1 | 179 | 0 | 0 | 0 | 0 | 110.1 | M1374 | V1372-M1374 PolarHBondContact O-N 2.91Š| ||
| 1373 | T | 29.6 | Very low | 31.1 | Very low | 134 Ų | 134 | 138 Ų | 138 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -74.4 | 105.2 | 172.5 | -39.4 | 0 | 0 | 0 | 0 | 109.9 | V1375 | T1373-V1375 PolarHBondContact O-N 3.05Š| ||
| 1374 | M | 28.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | trans | -81.8 | 114 | 177.3 | -69.8 | -166.4 | 75.3 | 0 | 0 | 111.8 | V1372 | V1372-M1374 PolarHBondContact O-N 2.91Š| ||
| 1375 | V | 34.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | trans | -88.6 | 106.1 | 162.8 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | T1373 K1377 | T1373-V1375 PolarHBondContact O-N 3.05Å; V1375-K1377 HydrophobicContact CG1-CG 4.22Å | ||
| 1376 | V | 32.1 | Very low | 31.5 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 46% | 0.461 | 74% | 0.742 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.4 | 118 | 178.2 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | T1378 | V1376-T1378 HydrophobicContact CG1-CG2 4.27Å |
| 1377 | K | 32.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 135.6 Ų | 135.6 | 54% | 0.535 | 74% | 0.737 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.6 | 175.4 | -65.2 | -166.4 | 169.8 | -103.9 | 0 | 110.8 | V1375 D1411 | V1375-K1377 HydrophobicContact CG1-CG 4.22Å; K1377-D1411 IonicContact NZ-OD1 3.44Å; K1377-D1411 PolarHBondContact NZ-OD1 3.26Å; K1377-D1411 IonicContact NZ-OD2 2.81Å; K1377-D1411 PolarHBondContact NZ-OD2 3.29Å |
| 1378 | T | 37 | Very low | 31.9 | Very low | 70 Ų | 70 | 136 Ų | 136 | 43% | 0.429 | 74% | 0.74 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.2 | -178.6 | 25.8 | 0 | 0 | 0 | 0 | 110.9 | V1376 | V1376-T1378 HydrophobicContact CG1-CG2 4.27Å |
| 1379 | T | 32.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | -100.7 | 76.4 | 175.9 | 54.5 | 0 | 0 | 0 | 0 | 110.7 | T1409 | T1379-T1409 HydrophobicContact CG2-CG2 4.26Š| ||
| 1380 | E | 40.3 | Very low | 32.3 | Very low | 147 Ų | 147 | 138 Ų | 138 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | trans | -127.8 | 147.1 | 179.7 | -69.1 | -163 | 131.7 | 0 | 0 | 113.7 | S1382 | E1380-S1382 VanDerWaalsContact C-N 3.25Å; E1380-S1382 PolarHBondContact O-N 3.37Å; E1380-S1382 VanDerWaalsContact O-N 3.16Å | ||
| 1381 | L | 32.3 | Very low | 32.4 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 100% | 1.031 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -84.4 | 32.4 | -173.1 | -78.1 | 153.9 | 0 | 0 | 0 | 113.8 | ||
| 1382 | S | 33 | Very low | 32.9 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | trans | -126.1 | 142.3 | -173.6 | -164 | 0 | 0 | 0 | 0 | 113.6 | E1380 | E1380-S1382 VanDerWaalsContact C-N 3.25Å; E1380-S1382 PolarHBondContact O-N 3.37Å; E1380-S1382 VanDerWaalsContact O-N 3.16Å | ||
| 1383 | T | 28.8 | Very low | 33 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -94.6 | 133.8 | 172.2 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1384 | E | 29.5 | Very low | 33.7 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.794 | 71% | 0.713 | S | S | * | * | trans | 69.5 | 128.9 | -176.6 | -56.6 | -155.9 | 119.2 | 0 | 0 | 117.6 | ||||
| 1385 | K | 33.8 | Very low | 34.2 | Very low | 183 Ų | 183 | 129.5 Ų | 129.5 | 80% | 0.796 | 70% | 0.703 | S | S | * | * | trans | -153.1 | 130.7 | 157 | -157.5 | 172.4 | -170.1 | 172.5 | 0 | 107.2 | ||||
| 1386 | R | 30.5 | Very low | 34.2 | Very low | 234 Ų | 234 | 129.5 Ų | 129.5 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -102.5 | 130.8 | 173.8 | -67.6 | -176.2 | -176.9 | -178.6 | 1.2 | 109.2 | ||||
| 1387 | T | 35.9 | Very low | 34.4 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 71% | 0.707 | S | S | * | * | trans | -106.6 | 123 | 174.7 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | V1389 | T1387-V1389 HydrophobicContact CG2-CG2 4.28Š| ||
| 1388 | L | 29.3 | Very low | 34.5 | Very low | 166 Ų | 166 | 129.6 Ų | 129.6 | 87% | 0.869 | 71% | 0.714 | S | S | * | * | trans | -108.5 | 131.6 | 174.6 | -161.3 | 84.3 | 0 | 0 | 0 | 108.6 | ||||
| 1389 | V | 39 | Very low | 34.6 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 60% | 0.6 | 72% | 0.719 | S | S | * | * | trans | -134.4 | 126.2 | 173.9 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | T1387 | T1387-V1389 HydrophobicContact CG2-CG2 4.28Š| ||
| 1390 | E | 31.1 | Very low | 35.3 | Very low | 190 Ų | 190 | 130 Ų | 130 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 140.3 | 174.6 | -66.8 | -174.6 | 116.3 | 0 | 0 | 110.8 | ||
| 1391 | G | 34.1 | Very low | 36 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 94% | 0.938 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.2 | 0.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1392 | G | 36 | Very low | 37.1 | Very low | 56 Ų | 56 | 117.1 Ų | 117.1 | 58% | 0.577 | 64% | 0.641 | S | S | * | * | trans | -147.8 | 143.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1394 | G1392-I1394 VanDerWaalsContact C-N 3.34Å; G1392-I1394 PolarHBondContact O-N 3.06Å | ||
| 1393 | K | 33 | Very low | 38.3 | Very low | 195 Ų | 195 | 116.1 Ų | 116.1 | 85% | 0.848 | 63% | 0.626 | S | S | * | * | trans | -84.1 | 73.2 | 179.8 | -166.7 | -178.3 | 178.5 | -173.4 | 0 | 111.3 | T1395 | K1393-T1395 PolarHBondContact O-N 3.42Š| ||
| 1394 | I | 45 | Very low | 39.9 | Very low | 85 Ų | 85 | 111.4 Ų | 111.4 | 44% | 0.436 | 60% | 0.597 | S | S | . | * | trans | -57.9 | 128.7 | 178 | -57.5 | 173.5 | 0 | 0 | 0 | 109.8 | G1392 | G1392-I1394 VanDerWaalsContact C-N 3.34Å; G1392-I1394 PolarHBondContact O-N 3.06Å | ||
| 1395 | T | 37.6 | Very low | 41.3 | Very low | 83 Ų | 83 | 107.2 Ų | 107.2 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | trans | -112.5 | 90 | 172.7 | -49.1 | 0 | 0 | 0 | 0 | 108.5 | K1393 T1397 | K1393-T1395 PolarHBondContact O-N 3.42Å; T1395-T1397 HydrophobicContact CG2-CG2 4.48Å | ||
| 1396 | T | 35 | Very low | 42.4 | Very low | 105 Ų | 105 | 100.1 Ų | 100.1 | 64% | 0.644 | 56% | 0.558 | S | S | * | * | trans | -75.9 | 124 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1397 | T | 36.8 | Very low | 43.4 | Very low | 91 Ų | 91 | 96.7 Ų | 96.7 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | trans | -139.2 | 127.5 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112 | T1395 | T1395-T1397 HydrophobicContact CG2-CG2 4.48Š| ||
| 1398 | V | 33 | Very low | 44.5 | Very low | 111 Ų | 111 | 95.5 Ų | 95.5 | 67% | 0.673 | 54% | 0.538 | S | S | * | . | trans | 68 | 110.7 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 115.4 | E1400 | V1398-E1400 HydrophobicContact CG1-CG 4.27Š| ||
| 1399 | H | 40.7 | Very low | 45.7 | Very low | 115 Ų | 115 | 88.6 Ų | 88.6 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 109.9 | 161.7 | -65.9 | -64.8 | 0 | 0 | 0 | 109.6 | D1412 | H1399-D1412 IonicContact CE1-OD1 3.45Å; H1399-D1412 PolarHBondContact CE1-OD1 3Å; H1399-D1412 IonicContact CG-OD1 3.88Å; H1399-D1412 IonicContact ND1-OD1 2.72Å; H1399-D1412 PolarHBondContact ND1-OD1 2.94Å |
| 1400 | E | 46 | Very low | 46.2 | Very low | 74 Ų | 74 | 88.3 Ų | 88.3 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.3 | 164.9 | -69.8 | -143 | 120.3 | 0 | 0 | 110.3 | P1118 V1398 D1411 | P1118-E1400 WeakPolarHBondContact CG-OE1 3.44Å; V1398-E1400 HydrophobicContact CG1-CG 4.27Å; E1400-D1411 PolarHBondContact O-N 3.02Å |
| 1401 | V | 55.8 | Low | 47 | Very low | 62 Ų | 62 | 80.9 Ų | 80.9 | 38% | 0.376 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 95.8 | 178 | -174.7 | 0 | 0 | 0 | 0 | 106.6 | I1408 K1410 | V1401-I1408 HydrophobicContact CG1-CG2 3.68Å; V1401-K1410 HydrophobicContact CG1-CG 4.41Å; V1401-K1410 HydrophobicContact CG2-CG 4.26Å |
| 1402 | E | 55.1 | Low | 47.4 | Very low | 12 Ų | 12 | 79.6 Ų | 79.6 | 6% | 0.056 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.1 | -175.9 | -174.2 | 176.1 | -158.9 | 0 | 0 | 109.9 | K1109 P1118 K1121 T1409 | K1109-E1402 VanDerWaalsContact NZ-CD 3.33Å; K1109-E1402 IonicContact NZ-OE1 2.57Å; K1109-E1402 PolarHBondContact NZ-OE1 3.31Å; K1109-E1402 IonicContact NZ-OE2 3.46Å; K1109-E1402 PolarHBondContact NZ-OE2 3.49Å; P1118-E1402 HydrophobicContact CB-CG 4.29Å; K1121-E1402 WeakPolarHBondContact CB-OE1 3.27Å; K1121-E1402 HydrophobicContact CD-CG 4.48Å; K1121-E1402 WeakPolarHBondContact CD-OE2 3.35Å; K1121-E1402 WeakPolarHBondContact CE-OE2 3.35Å; K1121-E1402 HydrophobicContact CG-CG 4.17Å; K1121-E1402 WeakPolarHBondContact CG-OE1 3.31Å; K1121-E1402 VanDerWaalsContact NZ-CD 3.26Å; K1121-E1402 IonicContact NZ-OE2 2.62Å; K1121-E1402 PolarHBondContact NZ-OE2 3.28Å; E1402-T1409 PolarHBondContact N-O 3.43Å; E1402-T1409 VanDerWaalsContact N-O 3.09Å; E1402-T1409 PolarHBondContact O-N 3.03Å; E1402-T1409 VanDerWaalsContact O-O 3.12Å; E1402-T1409 PolarHBondContact O-OG1 3.27Å |
| 1403 | K | 57.8 | Low | 47.8 | Very low | 69 Ų | 69 | 82 Ų | 82 | 30% | 0.3 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 129.7 | 175.1 | -71.7 | 173.8 | -178.7 | 179.3 | 0 | 111.1 | V1119 Y1120 K1121 K1407 I1408 | V1119-K1403 PolarHBondContact O-N 2.56Å; Y1120-K1403 CarbonylContact C-O 3.51Å; Y1120-K1403 WeakPolarHBondContact CA-O 3.35Å; Y1120-K1403 HydrophobicContact CD1-CB 3.61Å; Y1120-K1403 HydrophobicContact CD1-CD 3.83Å; Y1120-K1403 HydrophobicContact CD1-CG 4.4Å; Y1120-K1403 HydrophobicContact CE1-CB 3.9Å; Y1120-K1403 HydrophobicContact CE1-CD 3.19Å; Y1120-K1403 HydrophobicContact CE1-CG 4.2Å; Y1120-K1403 HydrophobicContact CG-CB 4.44Å; Y1120-K1403 PolarHBondContact OH-NZ 2.77Å; K1121-K1403 PolarHBondContact N-O 2.78Å; K1403-K1407 CarbonylContact C-O 3.55Å; K1403-K1407 VanDerWaalsContact CA-O 3.32Å; K1403-K1407 WeakPolarHBondContact CA-O 3.21Å; K1403-I1408 HydrophobicContact CG-CG1 3.87Å |
| 1404 | V | 62.8 | Low | 48 | Very low | 24 Ų | 24 | 76.2 Ų | 76.2 | 15% | 0.145 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.7 | -179.5 | -167.3 | 0 | 0 | 0 | 0 | 108.2 | K1121 G1406 K1407 T1409 | K1121-V1404 HydrophobicContact CD-CG2 4.17Å; K1121-V1404 HydrophobicContact CG-CB 4.31Å; K1121-V1404 HydrophobicContact CG-CG1 4.19Å; K1121-V1404 HydrophobicContact CG-CG2 3.86Å; K1121-V1404 WeakPolarHBondContact O-CA 3.43Å; V1404-G1406 PolarHBondContact O-N 2.93Å; V1404-G1406 VanDerWaalsContact O-N 3.1Å; V1404-K1407 PolarHBondContact O-N 3.46Å; V1404-K1407 WeakPolarHBondContact O-CB 3.36Å; V1404-K1407 PolarHBondContact N-O 3.47Å; V1404-T1409 HydrophobicContact CB-CG2 4.28Å; V1404-T1409 HydrophobicContact CG2-CG2 3.61Å; V1404-T1409 VanDerWaalsContact CG2-OG1 3.28Å; V1404-T1409 WeakPolarHBondContact CG2-OG1 3.45Å |
| 1405 | D | 58.9 | Low | 47.6 | Very low | 82 Ų | 82 | 79.3 Ų | 79.3 | 44% | 0.439 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 37.1 | -177.9 | -50.6 | -45.8 | 0 | 0 | 0 | 112.5 | K1121 H1122 K1407 | K1121-D1405 PolarHBondContact O-N 3.45Å; H1122-D1405 IonicContact CE1-OD1 2.68Å; H1122-D1405 IonicContact CG-OD1 3.46Å; H1122-D1405 IonicContact ND1-OD1 3.49Å; H1122-D1405 PolarHBondContact ND1-OD1 3.46Å; D1405-K1407 VanDerWaalsContact C-N 3.32Å; D1405-K1407 PolarHBondContact O-N 3.23Å |
| 1406 | G | 56 | Low | 47.8 | Very low | 33 Ų | 33 | 83.3 Ų | 83.3 | 34% | 0.34 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -11.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1404 | V1404-G1406 PolarHBondContact O-N 2.93Å; V1404-G1406 VanDerWaalsContact O-N 3.1Å |
| 1407 | K | 52.8 | Low | 48 | Very low | 163 Ų | 163 | 83.1 Ų | 83.1 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.1 | 178.4 | -64 | 178.3 | -179.5 | 174.9 | 0 | 111.5 | K1403 V1404 D1405 T1409 | K1403-K1407 CarbonylContact C-O 3.55Å; K1403-K1407 VanDerWaalsContact CA-O 3.32Å; K1403-K1407 WeakPolarHBondContact CA-O 3.21Å; V1404-K1407 PolarHBondContact O-N 3.46Å; V1404-K1407 WeakPolarHBondContact O-CB 3.36Å; V1404-K1407 PolarHBondContact N-O 3.47Å; D1405-K1407 VanDerWaalsContact C-N 3.32Å; D1405-K1407 PolarHBondContact O-N 3.23Å; K1407-T1409 PolarHBondContact O-N 3.24Å |
| 1408 | I | 58.3 | Low | 47.9 | Very low | 100 Ų | 100 | 81.9 Ų | 81.9 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 122.1 | 175.9 | -60.8 | 168.7 | 0 | 0 | 0 | 109.5 | V1401 K1403 | V1401-I1408 HydrophobicContact CG1-CG2 3.68Å; K1403-I1408 HydrophobicContact CG-CG1 3.87Å |
| 1409 | T | 53.9 | Low | 48 | Very low | 21 Ų | 21 | 84.3 Ų | 84.3 | 13% | 0.129 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 142.9 | 163.5 | 56 | 0 | 0 | 0 | 0 | 109.7 | T1379 E1402 V1404 K1407 | T1379-T1409 HydrophobicContact CG2-CG2 4.26Å; E1402-T1409 PolarHBondContact N-O 3.43Å; E1402-T1409 VanDerWaalsContact N-O 3.09Å; E1402-T1409 PolarHBondContact O-N 3.03Å; E1402-T1409 VanDerWaalsContact O-O 3.12Å; E1402-T1409 PolarHBondContact O-OG1 3.27Å; V1404-T1409 HydrophobicContact CB-CG2 4.28Å; V1404-T1409 HydrophobicContact CG2-CG2 3.61Å; V1404-T1409 VanDerWaalsContact CG2-OG1 3.28Å; V1404-T1409 WeakPolarHBondContact CG2-OG1 3.45Å; K1407-T1409 PolarHBondContact O-N 3.24Å |
| 1410 | K | 49.4 | Very low | 47.8 | Very low | 92 Ų | 92 | 83.7 Ų | 83.7 | 40% | 0.4 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 121.8 | 166.6 | -60.8 | -175.1 | -178.3 | 175 | 0 | 107.3 | V1401 | V1401-K1410 HydrophobicContact CG1-CG 4.41Å; V1401-K1410 HydrophobicContact CG2-CG 4.26Å |
| 1411 | D | 48.7 | Very low | 47.2 | Very low | 34 Ų | 34 | 88.6 Ų | 88.6 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 101.9 | 175.2 | -71.2 | -13.4 | 0 | 0 | 0 | 107.1 | K1377 E1400 | K1377-D1411 IonicContact NZ-OD1 3.44Å; K1377-D1411 PolarHBondContact NZ-OD1 3.26Å; K1377-D1411 IonicContact NZ-OD2 2.81Å; K1377-D1411 PolarHBondContact NZ-OD2 3.29Å; E1400-D1411 PolarHBondContact O-N 3.02Å |
| 1412 | D | 43.4 | Very low | 45.9 | Very low | 64 Ų | 64 | 92.5 Ų | 92.5 | 34% | 0.342 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112.7 | 179.9 | -78.6 | -34.2 | 0 | 0 | 0 | 110.6 | H1399 | H1399-D1412 IonicContact CE1-OD1 3.45Å; H1399-D1412 PolarHBondContact CE1-OD1 3Å; H1399-D1412 IonicContact CG-OD1 3.88Å; H1399-D1412 IonicContact ND1-OD1 2.72Å; H1399-D1412 PolarHBondContact ND1-OD1 2.94Å |
| 1413 | V | 43 | Very low | 44.8 | Very low | 106 Ų | 106 | 100.9 Ų | 100.9 | 64% | 0.642 | 54% | 0.539 | S | S | * | . | trans | -91 | 107.4 | -179.8 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1414 | V | 37.5 | Very low | 43.4 | Very low | 75 Ų | 75 | 103.8 Ų | 103.8 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | trans | -94.1 | 104.7 | 176.8 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | F1416 | V1414-F1416 HydrophobicContact CB-CE2 4.48Å; V1414-F1416 HydrophobicContact CG1-CD2 4.41Å; V1414-F1416 HydrophobicContact CG1-CE1 4.34Å; V1414-F1416 HydrophobicContact CG1-CE2 3.85Å; V1414-F1416 HydrophobicContact CG1-CZ 3.81Å | ||
| 1415 | K | 37.7 | Very low | 41.8 | Very low | 149 Ų | 149 | 108.6 Ų | 108.6 | 65% | 0.648 | 59% | 0.591 | S | S | * | * | trans | -89.6 | 117.8 | 172 | -170.8 | 174.1 | -176.9 | 177.5 | 0 | 110.6 | ||||
| 1416 | F | 41.5 | Very low | 40.3 | Very low | 167 Ų | 167 | 109.7 Ų | 109.7 | 73% | 0.732 | 61% | 0.605 | S | S | * | * | trans | -83 | 132.8 | 168 | -61 | -87.7 | 0 | 0 | 0 | 109.4 | V1414 | V1414-F1416 HydrophobicContact CB-CE2 4.48Å; V1414-F1416 HydrophobicContact CG1-CD2 4.41Å; V1414-F1416 HydrophobicContact CG1-CE1 4.34Å; V1414-F1416 HydrophobicContact CG1-CE2 3.85Å; V1414-F1416 HydrophobicContact CG1-CZ 3.81Å | ||
| 1417 | V | 38.3 | Very low | 39.1 | Very low | 101 Ų | 101 | 116 Ų | 116 | 61% | 0.612 | 63% | 0.629 | S | S | * | * | trans | -108.5 | 121.8 | 168.4 | 179.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1418 | G | 36.1 | Very low | 37.9 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | trans | -87.9 | 126.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S1420 | G1418-S1420 PolarHBondContact O-N 3.02Å; G1418-S1420 VanDerWaalsContact O-N 3.09Å | ||
| 1419 | D | 34.4 | Very low | 36.6 | Very low | 161 Ų | 161 | 114 Ų | 114 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | trans | -75.6 | 95.5 | 177.3 | -75.7 | -32.5 | 0 | 0 | 0 | 110.8 | ||||
| 1420 | S | 36.3 | Very low | 35.5 | Very low | 103 Ų | 103 | 119.7 Ų | 119.7 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | -155.6 | 109.8 | 160.9 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | G1418 | G1418-S1420 PolarHBondContact O-N 3.02Å; G1418-S1420 VanDerWaalsContact O-N 3.09Å | ||
| 1421 | E | 32.8 | Very low | 34.8 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | -161.1 | 137.4 | 111.1 | -106.8 | -177.7 | -172.6 | 0 | 0 | 113.1 | |||||
| 1422 | L | 30.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | trans | 39.8 | 108.7 | 147.2 | -60.9 | 166.8 | 0 | 0 | 0 | 120.5 | ||||
| 1423 | E | 30.9 | Very low | 33.6 | Very low | 188 Ų | 188 | 133.9 Ų | 133.9 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | -142.2 | 149.9 | 127.2 | -147.1 | 176.7 | -138 | 0 | 0 | 111.1 | |||||
| 1424 | V | 28.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | -106.6 | 103.1 | -170.2 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1425 | V | 30.2 | Very low | 32.9 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | trans | -134.8 | 120.6 | 164.6 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1426 | S | 27.1 | Very low | 32.6 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -88.3 | 134.8 | 170.8 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1427 | I | 29.5 | Very low | 32 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | -153 | 145.1 | 151.4 | -101.1 | 142.2 | 0 | 0 | 0 | 109.4 | ||||
| 1428 | T | 27.9 | Very low | 31.5 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 85% | 0.853 | 84% | 0.839 | S | S | * | * | trans | -98 | 141.1 | -175 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1429 | G | 32.4 | Very low | 31.2 | Very low | 81 Ų | 81 | 144.7 Ų | 144.7 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | trans | -163.2 | 129.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1430 | T | 30.8 | Very low | 30.9 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 86% | 0.859 | 85% | 0.85 | S | S | * | * | trans | -116.2 | 130.4 | -176 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1431 | V | 34.5 | Very low | 30.4 | Very low | 222 Ų | 222 | 147 Ų | 147 | 100% | 1.345 | 86% | 0.862 | S | S | * | * | -141.6 | 0 | 118.4 | 166.7 | 0 | 0 | 0 | 0 | 106.9 |
Retrieved 1,431 of 1,431 residues in 639.5 ms
(Link to these results)