| 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 | 42.6 | Very low | 48 | Very low | 209 Ų | 209 | 133.5 Ų | 133.5 | 100% | 1.03 | 66% | 0.66 | S | S | * | * | 0 | -28.2 | 0 | -81.9 | 176 | -147.9 | 0 | 0 | 114.4 | W3 T4 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-OG1 3.47Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å | |||
| 2 | A | 41.8 | Very low | 48.4 | Very low | 76 Ų | 76 | 127 Ų | 127 | 63% | 0.628 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.6 | -23.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S6 | A2-S6 PolarHBondContact O-N 2.92Å |
| 3 | W | 34.9 | Very low | 48.6 | Very low | 229 Ų | 229 | 124.5 Ų | 124.5 | 87% | 0.867 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.7 | -30.6 | -175.4 | -74.6 | 75.3 | 0 | 0 | 0 | 114.2 | M1 R7 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.44Å; W3-R7 PolarHBondContact O-N 3.45Å |
| 4 | T | 46.5 | Very low | 48.6 | Very low | 86 Ų | 86 | 123.8 Ų | 123.8 | 53% | 0.528 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -75.4 | -36.5 | 179.6 | 43.6 | 0 | 0 | 0 | 0 | 111.8 | M1 R7 L8 | M1-T4 PolarHBondContact O-OG1 3.47Å; M1-T4 VanDerWaalsContact O-OG1 3.1Å; T4-R7 PolarHBondContact O-N 3.44Å; T4-L8 WeakPolarHBondContact O-CD1 3.34Å; T4-L8 PolarHBondContact O-N 3.2Å; T4-L8 VanDerWaalsContact O-N 3.08Å |
| 5 | V | 53 | Low | 48.8 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -66.6 | -40.1 | 177 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | R7 L8 L9 | V5-R7 PolarHBondContact O-N 3.14Å; V5-L8 PolarHBondContact O-N 3.26Å; V5-L9 HydrophobicContact CG1-CD1 3.94Å; V5-L9 PolarHBondContact O-N 3.43Å |
| 6 | S | 50.8 | Low | 48.6 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 55% | 0.552 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -62.4 | -39.9 | 173.5 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | A2 W10 | A2-S6 PolarHBondContact O-N 2.92Å; S6-W10 WeakPolarHBondContact O-CB 3.35Å; S6-W10 PolarHBondContact O-N 3.48Å; S6-W10 VanDerWaalsContact O-N 3.08Å |
| 7 | R | 51.8 | Low | 48.4 | Very low | 197 Ų | 197 | 128.2 Ų | 128.2 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.4 | -40.3 | 174.7 | -95.8 | -175.2 | -179.2 | -95 | 0.4 | 113 | W3 T4 V5 W10 L11 | W3-R7 PolarHBondContact O-N 3.45Å; T4-R7 PolarHBondContact O-N 3.44Å; V5-R7 PolarHBondContact O-N 3.14Å; R7-W10 PolarHBondContact O-N 2.79Å; R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 3.29Å |
| 8 | L | 51 | Low | 48.5 | Very low | 117 Ų | 117 | 126.6 Ų | 126.6 | 61% | 0.613 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.2 | -39.3 | 179.1 | -80.3 | 150.4 | 0 | 0 | 0 | 112.4 | T4 V5 W10 L11 A12 | T4-L8 WeakPolarHBondContact O-CD1 3.34Å; T4-L8 PolarHBondContact O-N 3.2Å; T4-L8 VanDerWaalsContact O-N 3.08Å; V5-L8 PolarHBondContact O-N 3.26Å; L8-W10 VanDerWaalsContact C-N 3.29Å; L8-W10 PolarHBondContact O-N 2.95Å; L8-L11 PolarHBondContact O-N 3.46Å; L8-A12 WeakPolarHBondContact O-CB 3.25Å; L8-A12 PolarHBondContact O-N 2.86Å |
| 9 | L | 52.7 | Low | 48.8 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 55% | 0.545 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -64.7 | -33 | 173.1 | -81.3 | 156.1 | 0 | 0 | 0 | 112.6 | V5 N13 | V5-L9 HydrophobicContact CG1-CD1 3.94Å; V5-L9 PolarHBondContact O-N 3.43Å; L9-N13 PolarHBondContact O-N 3.04Å; L9-N13 VanDerWaalsContact O-N 3.17Å; L9-N13 PolarHBondContact O-ND2 2.99Å; L9-N13 VanDerWaalsContact O-ND2 3.09Å |
| 10 | W | 49.4 | Very low | 49.1 | Very low | 184 Ų | 184 | 124.1 Ų | 124.1 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.9 | -45 | 173.8 | -129 | 68 | 0 | 0 | 0 | 111.9 | S6 R7 L8 A12 N13 L14 | S6-W10 WeakPolarHBondContact O-CB 3.35Å; S6-W10 PolarHBondContact O-N 3.48Å; S6-W10 VanDerWaalsContact O-N 3.08Å; R7-W10 PolarHBondContact O-N 2.79Å; L8-W10 VanDerWaalsContact C-N 3.29Å; L8-W10 PolarHBondContact O-N 2.95Å; W10-A12 PolarHBondContact O-N 3.43Å; W10-N13 PolarHBondContact O-N 3.36Å; W10-L14 PolarHBondContact O-N 3.33Å; W10-L14 VanDerWaalsContact O-N 3.16Å |
| 11 | L | 53 | Low | 49.3 | Very low | 106 Ų | 106 | 122.6 Ų | 122.6 | 56% | 0.555 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.7 | -41.1 | 176.4 | -73.4 | 164.3 | 0 | 0 | 0 | 112.2 | R7 L8 L14 Q15 | R7-L11 WeakPolarHBondContact O-CG 3.29Å; R7-L11 PolarHBondContact O-N 3.29Å; L8-L11 PolarHBondContact O-N 3.46Å; L11-L14 WeakPolarHBondContact O-CB 3.19Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-Q15 PolarHBondContact O-N 2.99Å |
| 12 | A | 53.1 | Low | 50.1 | Low | 55 Ų | 55 | 118.5 Ų | 118.5 | 46% | 0.455 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.1 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L8 W10 L14 Q15 | L8-A12 WeakPolarHBondContact O-CB 3.25Å; L8-A12 PolarHBondContact O-N 2.86Å; W10-A12 PolarHBondContact O-N 3.43Å; A12-L14 VanDerWaalsContact C-N 3.32Å; A12-Q15 PolarHBondContact O-N 3.02Å |
| 13 | N | 50.9 | Low | 50.9 | Low | 94 Ų | 94 | 122.9 Ų | 122.9 | 50% | 0.503 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.3 | -30.5 | 174.1 | -95.7 | -83.1 | 0 | 0 | 0 | 112.9 | L9 W10 Q15 Q16 | L9-N13 PolarHBondContact O-N 3.04Å; L9-N13 VanDerWaalsContact O-N 3.17Å; L9-N13 PolarHBondContact O-ND2 2.99Å; L9-N13 VanDerWaalsContact O-ND2 3.09Å; W10-N13 PolarHBondContact O-N 3.36Å; N13-Q15 VanDerWaalsContact C-N 3.29Å; N13-Q15 PolarHBondContact O-N 3.39Å; N13-Q16 PolarHBondContact O-N 2.87Å |
| 14 | L | 49.1 | Very low | 52.2 | Low | 115 Ų | 115 | 123 Ų | 123 | 60% | 0.602 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -67.4 | -30.4 | 178.5 | -148.7 | 75.7 | 0 | 0 | 0 | 112.3 | W10 L11 A12 | W10-L14 PolarHBondContact O-N 3.33Å; W10-L14 VanDerWaalsContact O-N 3.16Å; L11-L14 WeakPolarHBondContact O-CB 3.19Å; L11-L14 PolarHBondContact O-N 3.28Å; A12-L14 VanDerWaalsContact C-N 3.32Å |
| 15 | Q | 50.9 | Low | 53.2 | Low | 153 Ų | 153 | 123.1 Ų | 123.1 | 72% | 0.715 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -75.9 | -29.5 | 179.1 | -66.3 | -178.4 | -95.9 | 0 | 0 | 112.6 | L11 A12 N13 S18 | L11-Q15 PolarHBondContact O-N 2.99Å; A12-Q15 PolarHBondContact O-N 3.02Å; N13-Q15 VanDerWaalsContact C-N 3.29Å; N13-Q15 PolarHBondContact O-N 3.39Å; Q15-S18 PolarHBondContact O-OG 3.4Å |
| 16 | Q | 46.4 | Very low | 53.9 | Low | 163 Ų | 163 | 124.1 Ų | 124.1 | 76% | 0.762 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -79.3 | -21.4 | -178.1 | -154.1 | 74 | 46.7 | 0 | 0 | 113.5 | N13 S18 | N13-Q16 PolarHBondContact O-N 2.87Å; Q16-S18 VanDerWaalsContact C-N 3.27Å; Q16-S18 PolarHBondContact O-N 2.97Å |
| 17 | M | 45.4 | Very low | 55.1 | Low | 130 Ų | 130 | 126 Ų | 126 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 3.4 | -178.9 | -69.8 | 173.1 | 160.4 | 0 | 0 | 114.1 | A19 | M17-A19 VanDerWaalsContact C-N 3.34Å; M17-A19 PolarHBondContact O-N 3.49Å |
| 18 | S | 49 | Very low | 56.2 | Low | 100 Ų | 100 | 120.1 Ų | 120.1 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -2.6 | -176.2 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | Q15 Q16 | Q15-S18 PolarHBondContact O-OG 3.4Å; Q16-S18 VanDerWaalsContact C-N 3.27Å; Q16-S18 PolarHBondContact O-N 2.97Å |
| 19 | A | 55.4 | Low | 57.6 | Low | 75 Ų | 75 | 118.8 Ų | 118.8 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -99.3 | 118.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M17 | M17-A19 VanDerWaalsContact C-N 3.34Å; M17-A19 PolarHBondContact O-N 3.49Å |
| 20 | T | 53.6 | Low | 58.9 | Low | 128 Ų | 128 | 118.9 Ų | 118.9 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 95 | 74.1 | -178.8 | 73 | 0 | 0 | 0 | 0 | 115.8 | N22 | T20-N22 PolarHBondContact O-N 3.49Š|
| 21 | S | 53.6 | Low | 60.2 | Low | 92 Ų | 92 | 114.7 Ų | 114.7 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | trans | -76.9 | 101.2 | 178.1 | -177 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 22 | N | 60.3 | Low | 61.5 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 66% | 0.663 | 62% | 0.619 | S | S | * | * | trans | -89 | 91.4 | 151.3 | -82.5 | -61.5 | 0 | 0 | 0 | 108 | T20 R24 V25 F26 | T20-N22 PolarHBondContact O-N 3.49Å; N22-R24 PolarHBondContact O-N 3.24Å; N22-V25 PolarHBondContact O-N 3.16Å; N22-V25 VanDerWaalsContact O-N 3.14Å; N22-F26 WeakPolarHBondContact O-CD2 3.43Å | ||
| 23 | M | 58.9 | Low | 62.7 | Low | 167 Ų | 167 | 112.2 Ų | 112.2 | 82% | 0.823 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -9.3 | -171.2 | -161.1 | 177.1 | -179.4 | 0 | 0 | 115.8 | ||
| 24 | R | 62.2 | Low | 63.9 | Low | 233 Ų | 233 | 113 Ų | 113 | 88% | 0.879 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -21.1 | -178.1 | -65.2 | -177 | 166.6 | -167.3 | -4.8 | 114.4 | N22 P28 | N22-R24 PolarHBondContact O-N 3.24Å; R24-P28 WeakPolarHBondContact O-CD 3.48Å |
| 25 | V | 66.4 | Low | 65.1 | Low | 87 Ų | 87 | 114.4 Ų | 114.4 | 53% | 0.527 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -24.5 | -173.1 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | N22 L27 P28 V29 | N22-V25 PolarHBondContact O-N 3.16Å; N22-V25 VanDerWaalsContact O-N 3.14Å; V25-L27 PolarHBondContact O-N 3.42Å; V25-P28 VanDerWaalsContact O-CD 3.25Å; V25-P28 WeakPolarHBondContact O-CD 3.44Å; V25-P28 VanDerWaalsContact O-CG 3.29Å; V25-P28 WeakPolarHBondContact O-CG 3.42Å; V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CB 3.41Å; V25-V29 WeakPolarHBondContact O-CG2 3.27Å; V25-V29 PolarHBondContact O-N 3.17Å |
| 26 | F | 68.1 | Low | 66 | Low | 103 Ų | 103 | 110.1 Ų | 110.1 | 45% | 0.452 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.7 | -39.7 | -179.9 | -74.9 | -85 | 0 | 0 | 0 | 113.3 | N22 V29 L30 | N22-F26 WeakPolarHBondContact O-CD2 3.43Å; F26-V29 PolarHBondContact O-N 3.46Å; F26-L30 VanDerWaalsContact O-CB 3.25Å; F26-L30 WeakPolarHBondContact O-CB 3.25Å; F26-L30 PolarHBondContact O-N 3.09Å |
| 27 | L | 75.4 | Confident | 66.9 | Low | 119 Ų | 119 | 107.4 Ų | 107.4 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.3 | -51.1 | -179 | -169 | 72.5 | 0 | 0 | 0 | 112.6 | V25 V29 L30 L31 | V25-L27 PolarHBondContact O-N 3.42Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 3.08Å; L27-L30 PolarHBondContact O-N 3.27Å; L27-L31 PolarHBondContact O-N 2.97Å |
| 28 | P | 76.1 | Confident | 67.5 | Low | 73 Ų | 73 | 109.7 Ų | 109.7 | 47% | 0.474 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.7 | -33.8 | 177 | 23.6 | -32.6 | 0 | 0 | 0 | 112.8 | R24 V25 L31 A32 | R24-P28 WeakPolarHBondContact O-CD 3.48Å; V25-P28 VanDerWaalsContact O-CD 3.25Å; V25-P28 WeakPolarHBondContact O-CD 3.44Å; V25-P28 VanDerWaalsContact O-CG 3.29Å; V25-P28 WeakPolarHBondContact O-CG 3.42Å; P28-L31 PolarHBondContact O-N 3.4Å; P28-A32 WeakPolarHBondContact O-CB 3.29Å; P28-A32 PolarHBondContact O-N 3.32Å |
| 29 | V | 80.8 | Confident | 67.8 | Low | 90 Ų | 90 | 112.1 Ų | 112.1 | 55% | 0.545 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 175.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | V25 F26 L27 A32 A33 | V25-V29 HydrophobicContact CG1-CG2 4Å; V25-V29 WeakPolarHBondContact O-CB 3.41Å; V25-V29 WeakPolarHBondContact O-CG2 3.27Å; V25-V29 PolarHBondContact O-N 3.17Å; F26-V29 PolarHBondContact O-N 3.46Å; L27-V29 VanDerWaalsContact C-N 3.34Å; L27-V29 PolarHBondContact O-N 3.08Å; V29-A32 PolarHBondContact O-N 3.12Å; V29-A33 WeakPolarHBondContact O-CB 3.47Å; V29-A33 PolarHBondContact O-N 3.2Å |
| 30 | L | 78.7 | Confident | 68 | Low | 105 Ų | 105 | 113.2 Ų | 113.2 | 55% | 0.55 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.5 | -40.8 | 176.4 | -175.3 | 66.7 | 0 | 0 | 0 | 111.7 | F26 L27 A33 L34 | F26-L30 VanDerWaalsContact O-CB 3.25Å; F26-L30 WeakPolarHBondContact O-CB 3.25Å; F26-L30 PolarHBondContact O-N 3.09Å; L27-L30 PolarHBondContact O-N 3.27Å; L30-A33 PolarHBondContact O-N 2.8Å; L30-L34 HydrophobicContact CG-CD1 4.42Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 3.24Å |
| 31 | L | 77.5 | Confident | 68.6 | Low | 97 Ų | 97 | 114.3 Ų | 114.3 | 51% | 0.508 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.4 | -45.3 | 175 | -118.2 | 71 | 0 | 0 | 0 | 111.5 | L27 P28 A33 L34 L35 | L27-L31 PolarHBondContact O-N 2.97Å; P28-L31 PolarHBondContact O-N 3.4Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 2.71Å; L31-L34 PolarHBondContact O-N 3.18Å; L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.27Å |
| 32 | A | 80 | Confident | 69.6 | Low | 63 Ų | 63 | 112.3 Ų | 112.3 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.8 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P28 V29 L35 G36 | P28-A32 WeakPolarHBondContact O-CB 3.29Å; P28-A32 PolarHBondContact O-N 3.32Å; V29-A32 PolarHBondContact O-N 3.12Å; A32-L35 PolarHBondContact O-N 2.78Å; A32-G36 PolarHBondContact O-N 3.02Å |
| 33 | A | 79 | Confident | 71 | Confident | 46 Ų | 46 | 109.4 Ų | 109.4 | 38% | 0.38 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V29 L30 L31 G36 M37 | V29-A33 WeakPolarHBondContact O-CB 3.47Å; V29-A33 PolarHBondContact O-N 3.2Å; L30-A33 PolarHBondContact O-N 2.8Å; L31-A33 VanDerWaalsContact C-N 3.32Å; L31-A33 PolarHBondContact O-N 2.71Å; A33-G36 PolarHBondContact O-N 2.89Å; A33-M37 WeakPolarHBondContact O-CE 3.36Å; A33-M37 VanDerWaalsContact O-CG 3.29Å; A33-M37 WeakPolarHBondContact O-CG 3.5Å; A33-M37 PolarHBondContact O-N 2.9Å |
| 34 | L | 75.1 | Confident | 72.5 | Confident | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.2 | -36.9 | 178.1 | -72.3 | 167.8 | 0 | 0 | 0 | 112.8 | L30 L31 M37 | L30-L34 HydrophobicContact CG-CD1 4.42Å; L30-L34 WeakPolarHBondContact O-CG 3.32Å; L30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 3.18Å; L34-M37 WeakPolarHBondContact O-CG 3.5Å |
| 35 | L | 74.4 | Confident | 73.9 | Confident | 143 Ų | 143 | 96.1 Ų | 96.1 | 75% | 0.749 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77.3 | -24.2 | 177.3 | -68.1 | 168.8 | 0 | 0 | 0 | 112.9 | L31 A32 M37 | L31-L35 WeakPolarHBondContact O-CB 3.39Å; L31-L35 VanDerWaalsContact O-CG 3.27Å; L31-L35 WeakPolarHBondContact O-CG 3.45Å; L31-L35 PolarHBondContact O-N 3.27Å; A32-L35 PolarHBondContact O-N 2.78Å; L35-M37 VanDerWaalsContact C-N 3.3Å |
| 36 | G | 70.8 | Confident | 75.2 | Confident | 63 Ų | 63 | 95.9 Ų | 95.9 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -1.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | A32 A33 E38 | A32-G36 PolarHBondContact O-N 3.02Å; A33-G36 PolarHBondContact O-N 2.89Å; G36-E38 PolarHBondContact O-N 2.92Å |
| 37 | M | 65.3 | Low | 76.2 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 52% | 0.522 | 52% | 0.517 | S | S | . | . | S | Bend | trans | -76.4 | 107 | 169.6 | -45.8 | -64 | -170.7 | 0 | 0 | 107.7 | A33 L34 L35 Q39 | A33-M37 WeakPolarHBondContact O-CE 3.36Å; A33-M37 VanDerWaalsContact O-CG 3.29Å; A33-M37 WeakPolarHBondContact O-CG 3.5Å; A33-M37 PolarHBondContact O-N 2.9Å; L34-M37 WeakPolarHBondContact O-CG 3.5Å; L35-M37 VanDerWaalsContact C-N 3.3Å; M37-Q39 PolarHBondContact O-N 3.14Å |
| 38 | E | 56.4 | Low | 77 | Confident | 178 Ų | 178 | 87.8 Ų | 87.8 | 83% | 0.832 | 49% | 0.491 | S | S | * | . | trans | -60.3 | 112.7 | 167.9 | -168.5 | 131.2 | 67.9 | 0 | 0 | 107.7 | G36 V40 | G36-E38 PolarHBondContact O-N 2.92Å; E38-V40 VanDerWaalsContact C-N 3.27Å; E38-V40 PolarHBondContact O-N 3.06Å | ||
| 39 | Q | 56.3 | Low | 77.7 | Confident | 151 Ų | 151 | 88.5 Ų | 88.5 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | trans | -71.4 | 91 | 174.4 | -71.6 | 178.2 | 42.7 | 0 | 0 | 107.1 | M37 H41 | M37-Q39 PolarHBondContact O-N 3.14Å; Q39-H41 PolarHBondContact O-N 3.41Å; Q39-H41 PolarHBondContact OE1-CE1 3.49Å | ||
| 40 | V | 60 | Low | 78 | Confident | 99 Ų | 99 | 89.3 Ų | 89.3 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | trans | -68.5 | 79.8 | 167.2 | -169.6 | 0 | 0 | 0 | 0 | 106.9 | E38 S42 E65 | E38-V40 VanDerWaalsContact C-N 3.27Å; E38-V40 PolarHBondContact O-N 3.06Å; V40-S42 PolarHBondContact O-N 3.35Å; V40-E65 HydrophobicContact CG1-CG 4.41Å | ||
| 41 | H | 65.8 | Low | 78.4 | Confident | 151 Ų | 151 | 87.1 Ų | 87.1 | 70% | 0.699 | 48% | 0.483 | S | S | * | . | trans | -66 | 103.9 | 168.8 | -80.9 | 95.2 | 0 | 0 | 0 | 106.8 | Q39 L43 | Q39-H41 PolarHBondContact O-N 3.41Å; Q39-H41 PolarHBondContact OE1-CE1 3.49Å; H41-L43 PolarHBondContact O-N 3.48Å | ||
| 42 | S | 75.4 | Confident | 78.8 | Confident | 49 Ų | 49 | 90.1 Ų | 90.1 | 34% | 0.343 | 49% | 0.492 | S | S | . | . | trans | -67.6 | 119.8 | 165.9 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | V40 M44 S62 C63 | V40-S42 PolarHBondContact O-N 3.35Å; S42-M44 PolarHBondContact O-N 3.31Å; S42-S62 PolarHBondContact OG-OG 3.44Å; S42-C63 PolarHBondContact OG-O 3.41Å | ||
| 43 | L | 88.1 | Confident | 78.9 | Confident | 63 Ų | 63 | 91.5 Ų | 91.5 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | trans | -57.2 | 134.4 | 172.7 | 179.6 | 71 | 0 | 0 | 0 | 108.7 | H41 C63 | H41-L43 PolarHBondContact O-N 3.48Å; L43-C63 HydrophobicContact CB-CB 4.06Å; L43-C63 VanDerWaalsContact O-CB 3.23Å; L43-C63 WeakPolarHBondContact O-CB 3.48Å; L43-C63 PolarHBondContact O-N 3.3Å; L43-C63 PolarHBondContact O-SG 2.87Å; L43-C63 VanDerWaalsContact O-SG 3.35Å | ||
| 44 | M | 91.3 | Very high | 79.1 | Confident | 118 Ų | 118 | 92.9 Ų | 92.9 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.2 | 175.4 | -73.2 | -79.4 | 179.1 | 0 | 0 | 108.8 | S42 V61 S62 | S42-M44 PolarHBondContact O-N 3.31Å; M44-V61 WeakPolarHBondContact CA-O 3.38Å; M44-V61 VanDerWaalsContact SD-C 3.52Å; M44-V61 VanDerWaalsContact SD-O 3.41Å; M44-S62 VanDerWaalsContact CE-OG 3.27Å; M44-S62 WeakPolarHBondContact CE-OG 3.3Å; M44-S62 WeakPolarHBondContact SD-CA 3.31Å; M44-S62 PolarHBondContact SD-N 3.48Å |
| 45 | C | 92.1 | Very high | 79.7 | Confident | 4 Ų | 4 | 92.7 Ų | 92.7 | 3% | 0.027 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 166 | 178.3 | -63.1 | 0 | 0 | 0 | 0 | 111 | P60 V61 C63 C70 | C45-P60 CarbonylContact O-C 3.39Å; C45-P60 WeakPolarHBondContact O-CA 3.47Å; C45-V61 PolarHBondContact N-O 2.03Å; C45-V61 WeakPolarHBondContact O-CG2 3.04Å; C45-V61 PolarHBondContact O-N 2.86Å; C45-C63 PolarHBondContact SG-SG 2.03Å; C45-C70 VanDerWaalsContact CA-SG 3.58Å; C45-C70 HydrophobicContact CB-CB 3.86Å; C45-C70 WeakPolarHBondContact CB-SG 3.09Å; C45-C70 WeakPolarHBondContact SG-CA 3.27Å; C45-C70 WeakPolarHBondContact SG-CB 3.43Å; C45-C70 CovalentContact SG-SG 2.03Å; C45-C70 PolarHBondContact SG-SG 2.88Å |
| 46 | F | 92.6 | Very high | 80.3 | Confident | 82 Ų | 82 | 90 Ų | 90 | 36% | 0.36 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 141.1 | 166.9 | -75.4 | -53.6 | 0 | 0 | 0 | 109.9 | C57 L58 W59 K90 G91 | F46-C57 VanDerWaalsContact CB-O 3.29Å; F46-C57 WeakPolarHBondContact CB-O 3.44Å; F46-L58 WeakPolarHBondContact CD1-O 3.45Å; F46-L58 HydrophobicContact CE1-CB 4.38Å; F46-L58 HydrophobicContact CE1-CD2 4.21Å; F46-L58 WeakPolarHBondContact CE1-O 3.46Å; F46-L58 HydrophobicContact CE2-CD2 4.3Å; F46-L58 HydrophobicContact CZ-CD2 4.07Å; F46-W59 CarbonylContact C-O 3.56Å; F46-W59 WeakPolarHBondContact CA-O 3.38Å; F46-K90 HydrophobicContact CB-CD 4.17Å; F46-K90 CarbonylContact O-C 3.44Å; F46-K90 WeakPolarHBondContact O-CB 3.22Å; F46-G91 PolarHBondContact O-N 3.47Å |
| 47 | S | 89.9 | Confident | 81.3 | Confident | 40 Ų | 40 | 87.1 Ų | 87.1 | 28% | 0.28 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 140.1 | -176.1 | -174 | 0 | 0 | 0 | 0 | 112.9 | W59 V61 K90 | S47-W59 PolarHBondContact N-O 3.47Å; S47-V61 VanDerWaalsContact CB-CG1 3.48Å; S47-K90 WeakPolarHBondContact CA-O 3.06Å; S47-K90 PolarHBondContact OG-O 2.99Å |
| 48 | C | 91.3 | Very high | 82.5 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 8% | 0.081 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 161.5 | 168.8 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | Q51 C57 N89 K90 | C48-Q51 HydrophobicContact CB-CB 4.46Å; C48-Q51 HydrophobicContact CB-CG 3.68Å; C48-C57 HydrophobicContact CB-CB 3.59Å; C48-C57 WeakPolarHBondContact CB-SG 3.08Å; C48-C57 WeakPolarHBondContact SG-CB 3.47Å; C48-C57 CovalentContact SG-SG 2.02Å; C48-C57 PolarHBondContact SG-SG 2.9Å; C48-N89 VanDerWaalsContact O-CA 3.27Å; C48-N89 WeakPolarHBondContact O-CA 3.45Å; C48-K90 PolarHBondContact N-O 2.79Å; C48-K90 VanDerWaalsContact N-O 3.1Å; C48-K90 PolarHBondContact O-N 3Å; C48-K90 PolarHBondContact SG-N 3.4Å |
| 49 | T | 90.5 | Very high | 84.2 | Confident | 87 Ų | 87 | 86.6 Ų | 86.6 | 53% | 0.534 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 133.3 | 176 | -53.5 | 0 | 0 | 0 | 0 | 109.3 | Q51 N89 | T49-Q51 PolarHBondContact O-N 3.08Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; T49-Q51 PolarHBondContact O-NE2 2.99Å; T49-N89 WeakPolarHBondContact CA-OD1 3.2Å |
| 50 | D | 87.2 | Confident | 85.9 | Confident | 108 Ų | 108 | 83.8 Ų | 83.8 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.3 | 37.9 | 173 | -64.8 | -52.2 | 0 | 0 | 0 | 114.4 | L88 N89 | D50-L88 PolarHBondContact N-O 3.49Å; D50-N89 PolarHBondContact N-OD1 3.02Å |
| 51 | Q | 88.3 | Confident | 87.4 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 28% | 0.276 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 144.8 | 177.5 | -62.4 | -56 | -50 | 0 | 0 | 110.8 | C48 T49 N56 T87 L88 | C48-Q51 HydrophobicContact CB-CB 4.46Å; C48-Q51 HydrophobicContact CB-CG 3.68Å; T49-Q51 PolarHBondContact O-N 3.08Å; T49-Q51 VanDerWaalsContact O-N 3.16Å; T49-Q51 PolarHBondContact O-NE2 2.99Å; Q51-N56 HydrophobicContact CB-CB 4.25Å; Q51-N56 HydrophobicContact CG-CB 3.99Å; Q51-N56 PolarHBondContact OE1-ND2 2.98Å; Q51-N56 VanDerWaalsContact OE1-ND2 3.08Å; Q51-T87 CarbonylContact O-C 3.54Å; Q51-L88 PolarHBondContact N-O 3.5Å; Q51-L88 WeakPolarHBondContact O-CA 3.38Å; Q51-L88 WeakPolarHBondContact O-CB 3.27Å; Q51-L88 PolarHBondContact O-N 3.1Å |
| 52 | K | 85.6 | Confident | 88.7 | Confident | 160 Ų | 160 | 77.7 Ų | 77.7 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -87 | -21.7 | 173.2 | -63 | -168.5 | 175.2 | 176.6 | 0 | 112.9 | ||
| 53 | N | 82.7 | Confident | 89.4 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -126.3 | 134.5 | -170.2 | -155.1 | 48.5 | 0 | 0 | 0 | 111 | I55 N56 | N53-I55 PolarHBondContact O-N 3.49Å; N53-N56 PolarHBondContact O-N 3.3Å |
| 54 | N | 82.6 | Confident | 89.5 | Confident | 75 Ų | 75 | 78.3 Ų | 78.3 | 40% | 0.401 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -61.4 | -29.8 | -177.5 | 178.8 | 72.1 | 0 | 0 | 0 | 113.5 | N56 C57 L88 K90 | N54-N56 PolarHBondContact O-N 3.1Å; N54-C57 WeakPolarHBondContact O-CA 3.32Å; N54-C57 VanDerWaalsContact O-CB 3.31Å; N54-C57 WeakPolarHBondContact O-CB 3.21Å; N54-C57 PolarHBondContact O-N 2.81Å; N54-L88 HydrophobicContact CB-CD2 4.17Å; N54-K90 WeakPolarHBondContact OD1-CE 3.29Å |
| 55 | I | 87.1 | Confident | 89.4 | Confident | 107 Ų | 107 | 80 Ų | 80 | 55% | 0.549 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -61.1 | -35.3 | 179.9 | -57.1 | -58.9 | 0 | 0 | 0 | 111.4 | N53 C57 L58 | N53-I55 PolarHBondContact O-N 3.49Å; I55-C57 PolarHBondContact O-N 3.03Å; I55-L58 HydrophobicContact CB-CD1 4.37Å; I55-L58 HydrophobicContact CD1-CD1 3.96Å; I55-L58 HydrophobicContact CG2-CD1 4.11Å; I55-L58 PolarHBondContact O-N 2.8Å |
| 56 | N | 88.2 | Confident | 89.1 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -72.3 | -7.9 | 177.5 | -62 | 16.2 | 0 | 0 | 0 | 112.3 | Q51 N53 N54 | Q51-N56 HydrophobicContact CB-CB 4.25Å; Q51-N56 HydrophobicContact CG-CB 3.99Å; Q51-N56 PolarHBondContact OE1-ND2 2.98Å; Q51-N56 VanDerWaalsContact OE1-ND2 3.08Å; N53-N56 PolarHBondContact O-N 3.3Å; N54-N56 PolarHBondContact O-N 3.1Å |
| 57 | C | 90.3 | Very high | 89 | Confident | 1 Ų | 1 | 82.4 Ų | 82.4 | 1% | 0.007 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -101 | 5.9 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 113.9 | F46 C48 N54 I55 W59 K90 | F46-C57 VanDerWaalsContact CB-O 3.29Å; F46-C57 WeakPolarHBondContact CB-O 3.44Å; C48-C57 HydrophobicContact CB-CB 3.59Å; C48-C57 WeakPolarHBondContact CB-SG 3.08Å; C48-C57 WeakPolarHBondContact SG-CB 3.47Å; C48-C57 CovalentContact SG-SG 2.02Å; C48-C57 PolarHBondContact SG-SG 2.9Å; N54-C57 WeakPolarHBondContact O-CA 3.32Å; N54-C57 VanDerWaalsContact O-CB 3.31Å; N54-C57 WeakPolarHBondContact O-CB 3.21Å; N54-C57 PolarHBondContact O-N 2.81Å; I55-C57 PolarHBondContact O-N 3.03Å; C57-W59 PolarHBondContact O-N 2.95Å; C57-K90 HydrophobicContact CB-CD 3.85Å; C57-K90 HydrophobicContact CB-CG 4.3Å |
| 58 | L | 91.9 | Very high | 88.8 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 41% | 0.408 | 43% | 0.434 | S | S | . | . | trans | -77.7 | 20.8 | 179.9 | -69 | 162.9 | 0 | 0 | 0 | 113.5 | F46 I55 P60 | F46-L58 WeakPolarHBondContact CD1-O 3.45Å; F46-L58 HydrophobicContact CE1-CB 4.38Å; F46-L58 HydrophobicContact CE1-CD2 4.21Å; F46-L58 WeakPolarHBondContact CE1-O 3.46Å; F46-L58 HydrophobicContact CE2-CD2 4.3Å; F46-L58 HydrophobicContact CZ-CD2 4.07Å; I55-L58 HydrophobicContact CB-CD1 4.37Å; I55-L58 HydrophobicContact CD1-CD1 3.96Å; I55-L58 HydrophobicContact CG2-CD1 4.11Å; I55-L58 PolarHBondContact O-N 2.8Å; L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.07Å | ||
| 59 | W | 91.8 | Very high | 88.6 | Confident | 196 Ų | 196 | 90.8 Ų | 90.8 | 74% | 0.742 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.5 | 178.2 | -89.7 | 65.9 | 0 | 0 | 0 | 110.5 | F46 S47 C57 | F46-W59 CarbonylContact C-O 3.56Å; F46-W59 WeakPolarHBondContact CA-O 3.38Å; S47-W59 PolarHBondContact N-O 3.47Å; C57-W59 PolarHBondContact O-N 2.95Å |
| 60 | P | 91.2 | Very high | 88.6 | Confident | 91 Ų | 91 | 87 Ų | 87 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.5 | -179.9 | 30.6 | -34.1 | 0 | 0 | 0 | 111 | C45 L58 | C45-P60 CarbonylContact O-C 3.39Å; C45-P60 WeakPolarHBondContact O-CA 3.47Å; L58-P60 VanDerWaalsContact O-CD 3.3Å; L58-P60 WeakPolarHBondContact O-CD 3.07Å |
| 61 | V | 92.5 | Very high | 88.7 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 29% | 0.291 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 144.2 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111 | M44 C45 S47 | M44-V61 WeakPolarHBondContact CA-O 3.38Å; M44-V61 VanDerWaalsContact SD-C 3.52Å; M44-V61 VanDerWaalsContact SD-O 3.41Å; C45-V61 PolarHBondContact N-O 2.03Å; C45-V61 WeakPolarHBondContact O-CG2 3.04Å; C45-V61 PolarHBondContact O-N 2.86Å; S47-V61 VanDerWaalsContact CB-CG1 3.48Å |
| 62 | S | 92.8 | Very high | 88.6 | Confident | 74 Ų | 74 | 81.1 Ų | 81.1 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.3 | 171.6 | -151.1 | 0 | 0 | 0 | 0 | 109.1 | S42 M44 | S42-S62 PolarHBondContact OG-OG 3.44Å; M44-S62 VanDerWaalsContact CE-OG 3.27Å; M44-S62 WeakPolarHBondContact CE-OG 3.3Å; M44-S62 WeakPolarHBondContact SD-CA 3.31Å; M44-S62 PolarHBondContact SD-N 3.48Å |
| 63 | C | 90.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 77.1 Ų | 77.1 | 5% | 0.047 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -82 | 157.3 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | S42 L43 C45 D67 C92 | S42-C63 PolarHBondContact OG-O 3.41Å; L43-C63 HydrophobicContact CB-CB 4.06Å; L43-C63 VanDerWaalsContact O-CB 3.23Å; L43-C63 WeakPolarHBondContact O-CB 3.48Å; L43-C63 PolarHBondContact O-N 3.3Å; L43-C63 PolarHBondContact O-SG 2.87Å; L43-C63 VanDerWaalsContact O-SG 3.35Å; C45-C63 PolarHBondContact SG-SG 2.03Å; C63-D67 HydrophobicContact CB-CB 4Å; C63-C92 WeakPolarHBondContact CA-SG 3.29Å; C63-C92 HydrophobicContact CB-CB 3.6Å; C63-C92 WeakPolarHBondContact CB-SG 3.17Å; C63-C92 WeakPolarHBondContact SG-CB 3.46Å; C63-C92 CovalentContact SG-SG 2.03Å; C63-C92 PolarHBondContact SG-SG 3Å |
| 64 | Q | 90 | Very high | 88.4 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 158.1 | 172.9 | -69.4 | 170.2 | 76.4 | 0 | 0 | 110.2 | K66 D67 | Q64-K66 HydrophobicContact CB-CG 4Å; Q64-K66 PolarHBondContact O-N 3.3Å; Q64-K66 VanDerWaalsContact O-N 3.14Å; Q64-K66 VanDerWaalsContact OE1-CE 3.25Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.05Å; Q64-D67 PolarHBondContact N-OD2 2.8Å; Q64-D67 WeakPolarHBondContact O-CB 3.23Å; Q64-D67 PolarHBondContact O-N 3.35Å |
| 65 | E | 87.7 | Confident | 88.2 | Confident | 155 Ų | 155 | 71.7 Ų | 71.7 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.2 | -178.7 | -164.6 | 177.3 | 175 | 0 | 0 | 113.4 | V40 D67 H68 | V40-E65 HydrophobicContact CG1-CG 4.41Å; E65-D67 VanDerWaalsContact C-N 3.32Å; E65-H68 PolarHBondContact O-CE1 2.72Å |
| 66 | K | 87.2 | Confident | 87.7 | Confident | 120 Ų | 120 | 68.1 Ų | 68.1 | 52% | 0.522 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -15.1 | 175.2 | 64.3 | 176.5 | -178.4 | -177.1 | 0 | 114.4 | Q64 H68 P94 | Q64-K66 HydrophobicContact CB-CG 4Å; Q64-K66 PolarHBondContact O-N 3.3Å; Q64-K66 VanDerWaalsContact O-N 3.14Å; Q64-K66 VanDerWaalsContact OE1-CE 3.25Å; K66-H68 PolarHBondContact O-CD2 3.43Å; K66-P94 WeakPolarHBondContact O-CA 3.42Å; K66-P94 VanDerWaalsContact O-CB 3.31Å; K66-P94 WeakPolarHBondContact O-CB 3.47Å |
| 67 | D | 89.3 | Confident | 86.9 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | trans | -95.3 | 110.2 | -175.3 | -61.8 | -31.1 | 0 | 0 | 0 | 108.7 | C63 Q64 E65 C92 P94 | C63-D67 HydrophobicContact CB-CB 4Å; Q64-D67 WeakPolarHBondContact CB-OD2 3.05Å; Q64-D67 PolarHBondContact N-OD2 2.8Å; Q64-D67 WeakPolarHBondContact O-CB 3.23Å; Q64-D67 PolarHBondContact O-N 3.35Å; E65-D67 VanDerWaalsContact C-N 3.32Å; D67-C92 HydrophobicContact CB-CB 3.8Å; D67-P94 VanDerWaalsContact OD1-CD 3.3Å; D67-P94 WeakPolarHBondContact OD1-CD 3.27Å | ||
| 68 | H | 86.5 | Confident | 85.6 | Confident | 122 Ų | 122 | 68.8 Ų | 68.8 | 57% | 0.565 | 37% | 0.371 | S | S | * | . | trans | -108.6 | 1.4 | -173.6 | -57.6 | -63.4 | 0 | 0 | 0 | 113.5 | E65 K66 S93 | E65-H68 PolarHBondContact O-CE1 2.72Å; K66-H68 PolarHBondContact O-CD2 3.43Å; H68-S93 PolarHBondContact N-O 2.83Å | ||
| 69 | Y | 87.4 | Confident | 84 | Confident | 107 Ų | 107 | 73.4 Ų | 73.4 | 42% | 0.42 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 136.6 | -175.2 | -54.7 | -79.4 | 0 | 0 | 0 | 112.2 | C92 S93 C96 | Y69-C92 CarbonylContact O-C 3.58Å; Y69-C92 WeakPolarHBondContact O-CA 3.34Å; Y69-S93 PolarHBondContact N-O 2.84Å; Y69-S93 VanDerWaalsContact N-O 3.12Å; Y69-S93 PolarHBondContact O-N 2.94Å; Y69-C96 HydrophobicContact CD1-CB 3.8Å; Y69-C96 HydrophobicContact CD2-CB 4.08Å; Y69-C96 HydrophobicContact CE1-CB 4.03Å; Y69-C96 HydrophobicContact CE2-CB 4.31Å; Y69-C96 HydrophobicContact CG-CB 3.82Å |
| 70 | C | 90.3 | Very high | 83 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.054 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 124 | 163.2 | -56.7 | 0 | 0 | 0 | 0 | 108.7 | C45 S112 Y113 | C45-C70 VanDerWaalsContact CA-SG 3.58Å; C45-C70 HydrophobicContact CB-CB 3.86Å; C45-C70 WeakPolarHBondContact CB-SG 3.09Å; C45-C70 WeakPolarHBondContact SG-CA 3.27Å; C45-C70 WeakPolarHBondContact SG-CB 3.43Å; C45-C70 CovalentContact SG-SG 2.03Å; C45-C70 PolarHBondContact SG-SG 2.88Å; C70-S112 WeakPolarHBondContact O-CA 3.41Å; C70-Y113 HydrophobicContact CB-CD2 4.39Å; C70-Y113 HydrophobicContact CB-CE1 4.08Å; C70-Y113 HydrophobicContact CB-CE2 3.93Å |
| 71 | I | 88.8 | Confident | 81.8 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 15% | 0.154 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 146.3 | 178.4 | 61.2 | 166.1 | 0 | 0 | 0 | 111.2 | L73 K90 G91 N111 | I71-L73 HydrophobicContact CD1-CD1 3.84Å; I71-L73 HydrophobicContact CG1-CD1 4.46Å; I71-K90 WeakPolarHBondContact O-CA 3.42Å; I71-G91 PolarHBondContact N-O 3.41Å; I71-G91 PolarHBondContact O-N 2.77Å; I71-N111 CarbonylContact C-O 3.51Å; I71-N111 WeakPolarHBondContact CA-O 3.43Å |
| 72 | T | 86.1 | Confident | 80.4 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 8% | 0.08 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.6 | 172.4 | -58.9 | 0 | 0 | 0 | 0 | 108.1 | L88 N89 K90 V110 N111 | T72-L88 HydrophobicContact CG2-CD1 3.4Å; T72-L88 HydrophobicContact CG2-CG 4.47Å; T72-N89 CarbonylContact C-O 3.58Å; T72-N89 WeakPolarHBondContact CA-O 3.16Å; T72-K90 HydrophobicContact CG2-CG 4Å; T72-K90 PolarHBondContact OG1-NZ 2.77Å; T72-V110 CarbonylContact O-C 3.5Å; T72-V110 WeakPolarHBondContact O-CA 3.31Å; T72-N111 PolarHBondContact N-O 3.08Å; T72-N111 PolarHBondContact O-N 3.16Å |
| 73 | L | 83.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 40% | 0.398 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.4 | 168.9 | -95.5 | 72.4 | 0 | 0 | 0 | 108.3 | I71 L88 N89 S109 V110 | I71-L73 HydrophobicContact CD1-CD1 3.84Å; I71-L73 HydrophobicContact CG1-CD1 4.46Å; L73-L88 CarbonylContact O-C 3.26Å; L73-L88 WeakPolarHBondContact O-CA 3.33Å; L73-N89 HydrophobicContact CB-CB 4.12Å; L73-N89 PolarHBondContact N-O 3.33Å; L73-N89 PolarHBondContact O-N 2.62Å; L73-N89 VanDerWaalsContact O-O 3.1Å; L73-S109 CarbonylContact C-O 3.3Å; L73-S109 WeakPolarHBondContact CA-O 3.41Å; L73-V110 HydrophobicContact CD1-CG1 3.69Å; L73-V110 HydrophobicContact CG-CG1 3.81Å |
| 74 | S | 80.5 | Confident | 78.3 | Confident | 11 Ų | 11 | 82.3 Ų | 82.3 | 8% | 0.077 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.4 | 170.5 | 52.9 | 0 | 0 | 0 | 0 | 110.1 | Y86 T87 A108 S109 | S74-Y86 VanDerWaalsContact CB-OH 3.22Å; S74-Y86 WeakPolarHBondContact CB-OH 3.33Å; S74-T87 CarbonylContact C-O 3.53Å; S74-T87 WeakPolarHBondContact CA-O 3.16Å; S74-A108 CarbonylContact O-C 3.46Å; S74-A108 VanDerWaalsContact O-C 3.26Å; S74-A108 WeakPolarHBondContact O-CA 2.95Å; S74-S109 PolarHBondContact N-O 3.29Å; S74-S109 PolarHBondContact O-N 2.91Å; S74-S109 PolarHBondContact OG-O 2.79Å; S74-S109 PolarHBondContact OG-OG 3.26Å |
| 75 | A | 78.4 | Confident | 77.5 | Confident | 41 Ų | 41 | 78.2 Ų | 78.2 | 34% | 0.339 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y86 T87 V107 | A75-Y86 CarbonylContact O-C 3.5Å; A75-Y86 VanDerWaalsContact O-CA 3.29Å; A75-Y86 WeakPolarHBondContact O-CA 3.33Å; A75-T87 PolarHBondContact N-O 2.71Å; A75-T87 PolarHBondContact O-N 2.8Å; A75-V107 CarbonylContact C-O 3.58Å; A75-V107 WeakPolarHBondContact CA-O 3.44Å |
| 76 | A | 77.2 | Confident | 77.3 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 26% | 0.264 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | G85 Y86 G106 V107 | A76-G85 WeakPolarHBondContact CA-O 3.45Å; A76-Y86 HydrophobicContact CB-CD2 4.05Å; A76-G106 CarbonylContact O-C 3.43Å; A76-V107 HydrophobicContact CB-CB 4.08Å; A76-V107 PolarHBondContact N-O 3.26Å; A76-V107 PolarHBondContact O-N 3.18Å |
| 77 | A | 70.6 | Confident | 77.1 | Confident | 49 Ų | 49 | 72 Ų | 72 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | L84 G85 | A77-L84 HydrophobicContact CB-CB 3.94Å; A77-L84 WeakPolarHBondContact O-CA 3.35Å; A77-L84 WeakPolarHBondContact O-CB 3.48Å; A77-L84 PolarHBondContact O-N 2.82Å; A77-G85 PolarHBondContact N-O 2.95Å; A77-G85 PolarHBondContact O-N 2.75Å |
| 78 | G | 63.3 | Low | 77.1 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 56% | 0.557 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 150.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V82 | G78-V82 CarbonylContact C-O 3.5Å; G78-V82 WeakPolarHBondContact CA-O 3.32Å |
| 79 | F | 58.7 | Low | 77.1 | Confident | 174 Ų | 174 | 68.3 Ų | 68.3 | 76% | 0.763 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 117 | 175.5 | -167.4 | -90 | 0 | 0 | 0 | 109.3 | N81 V82 L84 | F79-N81 PolarHBondContact O-N 2.83Å; F79-V82 HydrophobicContact CB-CG2 4.18Å; F79-V82 PolarHBondContact N-O 2.8Å; F79-V82 WeakPolarHBondContact O-CG2 3.2Å; F79-V82 PolarHBondContact O-N 3.47Å; F79-V82 VanDerWaalsContact O-N 3.1Å; F79-L84 HydrophobicContact CB-CD1 4.49Å |
| 80 | G | 70 | Confident | 77.3 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 86% | 0.856 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | -127.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V82 | G80-V82 VanDerWaalsContact C-N 3.35Š|
| 81 | N | 65.7 | Low | 77.4 | Confident | 159 Ų | 159 | 65 Ų | 65 | 85% | 0.85 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 3.9 | 177.9 | -166.6 | 22.8 | 0 | 0 | 0 | 113.7 | F79 | F79-N81 PolarHBondContact O-N 2.83Š|
| 82 | V | 63.6 | Low | 77.5 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 53% | 0.533 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.8 | 177.6 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | G78 F79 G80 L84 | G78-V82 CarbonylContact C-O 3.5Å; G78-V82 WeakPolarHBondContact CA-O 3.32Å; F79-V82 HydrophobicContact CB-CG2 4.18Å; F79-V82 PolarHBondContact N-O 2.8Å; F79-V82 WeakPolarHBondContact O-CG2 3.2Å; F79-V82 PolarHBondContact O-N 3.47Å; F79-V82 VanDerWaalsContact O-N 3.1Å; G80-V82 VanDerWaalsContact C-N 3.35Å; V82-L84 HydrophobicContact CB-CD1 4.5Å; V82-L84 HydrophobicContact CG2-CD1 3.84Å |
| 83 | N | 70.3 | Confident | 77.7 | Confident | 150 Ų | 150 | 65.6 Ų | 65.6 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.9 | 171.2 | -65.3 | -76.8 | 0 | 0 | 0 | 108.3 | ||
| 84 | L | 69.4 | Low | 77.9 | Confident | 123 Ų | 123 | 65.1 Ų | 65.1 | 64% | 0.644 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | -15.4 | 179.8 | -75.7 | 86.7 | 0 | 0 | 0 | 112.7 | A77 F79 V82 | A77-L84 HydrophobicContact CB-CB 3.94Å; A77-L84 WeakPolarHBondContact O-CA 3.35Å; A77-L84 WeakPolarHBondContact O-CB 3.48Å; A77-L84 PolarHBondContact O-N 2.82Å; F79-L84 HydrophobicContact CB-CD1 4.49Å; V82-L84 HydrophobicContact CB-CD1 4.5Å; V82-L84 HydrophobicContact CG2-CD1 3.84Å |
| 85 | G | 73.6 | Confident | 78.1 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 34% | 0.34 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | 169.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A76 A77 | A76-G85 WeakPolarHBondContact CA-O 3.45Å; A77-G85 PolarHBondContact N-O 2.95Å; A77-G85 PolarHBondContact O-N 2.75Å |
| 86 | Y | 82.4 | Confident | 78.3 | Confident | 97 Ų | 97 | 70.1 Ų | 70.1 | 38% | 0.38 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 135.3 | 176.2 | 175 | -95.2 | 0 | 0 | 0 | 108.6 | S74 A75 A76 L88 | S74-Y86 VanDerWaalsContact CB-OH 3.22Å; S74-Y86 WeakPolarHBondContact CB-OH 3.33Å; A75-Y86 CarbonylContact O-C 3.5Å; A75-Y86 VanDerWaalsContact O-CA 3.29Å; A75-Y86 WeakPolarHBondContact O-CA 3.33Å; A76-Y86 HydrophobicContact CB-CD2 4.05Å; Y86-L88 HydrophobicContact CE1-CB 4.1Å |
| 87 | T | 84.6 | Confident | 78 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 29% | 0.288 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 150.2 | 173.7 | 57.1 | 0 | 0 | 0 | 0 | 110.6 | Q51 S74 A75 | Q51-T87 CarbonylContact O-C 3.54Å; S74-T87 CarbonylContact C-O 3.53Å; S74-T87 WeakPolarHBondContact CA-O 3.16Å; A75-T87 PolarHBondContact N-O 2.71Å; A75-T87 PolarHBondContact O-N 2.8Å |
| 88 | L | 87.6 | Confident | 77.6 | Confident | 8 Ų | 8 | 74.8 Ų | 74.8 | 4% | 0.042 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.5 | -176.7 | -175.1 | 70.4 | 0 | 0 | 0 | 109.2 | D50 Q51 N54 T72 L73 Y86 | D50-L88 PolarHBondContact N-O 3.49Å; Q51-L88 PolarHBondContact N-O 3.5Å; Q51-L88 WeakPolarHBondContact O-CA 3.38Å; Q51-L88 WeakPolarHBondContact O-CB 3.27Å; Q51-L88 PolarHBondContact O-N 3.1Å; N54-L88 HydrophobicContact CB-CD2 4.17Å; T72-L88 HydrophobicContact CG2-CD1 3.4Å; T72-L88 HydrophobicContact CG2-CG 4.47Å; L73-L88 CarbonylContact O-C 3.26Å; L73-L88 WeakPolarHBondContact O-CA 3.33Å; Y86-L88 HydrophobicContact CE1-CB 4.1Å |
| 89 | N | 88.4 | Confident | 77.3 | Confident | 52 Ų | 52 | 79 Ų | 79 | 28% | 0.278 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.8 | 169.5 | -84.3 | 40 | 0 | 0 | 0 | 109.5 | C48 T49 D50 T72 L73 | C48-N89 VanDerWaalsContact O-CA 3.27Å; C48-N89 WeakPolarHBondContact O-CA 3.45Å; T49-N89 WeakPolarHBondContact CA-OD1 3.2Å; D50-N89 PolarHBondContact N-OD1 3.02Å; T72-N89 CarbonylContact C-O 3.58Å; T72-N89 WeakPolarHBondContact CA-O 3.16Å; L73-N89 HydrophobicContact CB-CB 4.12Å; L73-N89 PolarHBondContact N-O 3.33Å; L73-N89 PolarHBondContact O-N 2.62Å; L73-N89 VanDerWaalsContact O-O 3.1Å |
| 90 | K | 91.3 | Very high | 77.1 | Confident | 31 Ų | 31 | 76.9 Ų | 76.9 | 14% | 0.135 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 149.1 | 169.5 | -64.8 | -172 | 179.4 | -81 | 0 | 109.4 | F46 S47 C48 N54 C57 I71 T72 | F46-K90 HydrophobicContact CB-CD 4.17Å; F46-K90 CarbonylContact O-C 3.44Å; F46-K90 WeakPolarHBondContact O-CB 3.22Å; S47-K90 WeakPolarHBondContact CA-O 3.06Å; S47-K90 PolarHBondContact OG-O 2.99Å; C48-K90 PolarHBondContact N-O 2.79Å; C48-K90 VanDerWaalsContact N-O 3.1Å; C48-K90 PolarHBondContact O-N 3Å; C48-K90 PolarHBondContact SG-N 3.4Å; N54-K90 WeakPolarHBondContact OD1-CE 3.29Å; C57-K90 HydrophobicContact CB-CD 3.85Å; C57-K90 HydrophobicContact CB-CG 4.3Å; I71-K90 WeakPolarHBondContact O-CA 3.42Å; T72-K90 HydrophobicContact CG2-CG 4Å; T72-K90 PolarHBondContact OG1-NZ 2.77Å |
| 91 | G | 91.4 | Very high | 76.3 | Confident | 14 Ų | 14 | 75.9 Ų | 75.9 | 14% | 0.144 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.1 | -171.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F46 I71 | F46-G91 PolarHBondContact O-N 3.47Å; I71-G91 PolarHBondContact N-O 3.41Å; I71-G91 PolarHBondContact O-N 2.77Å |
| 92 | C | 92.2 | Very high | 75.7 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 25% | 0.25 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 147.3 | 179.3 | -44.7 | 0 | 0 | 0 | 0 | 110.8 | C63 D67 Y69 | C63-C92 WeakPolarHBondContact CA-SG 3.29Å; C63-C92 HydrophobicContact CB-CB 3.6Å; C63-C92 WeakPolarHBondContact CB-SG 3.17Å; C63-C92 WeakPolarHBondContact SG-CB 3.46Å; C63-C92 CovalentContact SG-SG 2.03Å; C63-C92 PolarHBondContact SG-SG 3Å; D67-C92 HydrophobicContact CB-CB 3.8Å; Y69-C92 CarbonylContact O-C 3.58Å; Y69-C92 WeakPolarHBondContact O-CA 3.34Å |
| 93 | S | 89.3 | Confident | 75 | Confident | 19 Ų | 19 | 74 Ų | 74 | 13% | 0.133 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 145.5 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | H68 Y69 I95 | H68-S93 PolarHBondContact N-O 2.83Å; Y69-S93 PolarHBondContact N-O 2.84Å; Y69-S93 VanDerWaalsContact N-O 3.12Å; Y69-S93 PolarHBondContact O-N 2.94Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 WeakPolarHBondContact CB-O 3.01Å; S93-I95 PolarHBondContact OG-N 3.03Å; S93-I95 PolarHBondContact OG-O 3.47Å |
| 94 | P | 88.3 | Confident | 73.8 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -75.1 | -18.4 | 171.5 | 31.4 | -34.7 | 0 | 0 | 0 | 112.5 | K66 D67 | K66-P94 WeakPolarHBondContact O-CA 3.42Å; K66-P94 VanDerWaalsContact O-CB 3.31Å; K66-P94 WeakPolarHBondContact O-CB 3.47Å; D67-P94 VanDerWaalsContact OD1-CD 3.3Å; D67-P94 WeakPolarHBondContact OD1-CD 3.27Å |
| 95 | I | 85.1 | Confident | 72.5 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -128.2 | 130.9 | -174.7 | -58.6 | 167.9 | 0 | 0 | 0 | 109 | S93 | S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 WeakPolarHBondContact CB-O 3.01Å; S93-I95 PolarHBondContact OG-N 3.03Å; S93-I95 PolarHBondContact OG-O 3.47Å |
| 96 | C | 81.3 | Confident | 71.3 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | trans | -88.9 | 117.9 | 167 | -170.2 | 0 | 0 | 0 | 0 | 109 | Y69 S98 S112 | Y69-C96 HydrophobicContact CD1-CB 3.8Å; Y69-C96 HydrophobicContact CD2-CB 4.08Å; Y69-C96 HydrophobicContact CE1-CB 4.03Å; Y69-C96 HydrophobicContact CE2-CB 4.31Å; Y69-C96 HydrophobicContact CG-CB 3.82Å; C96-S98 PolarHBondContact O-N 2.73Å; C96-S112 VanDerWaalsContact SG-CB 3.53Å; C96-S112 PolarHBondContact SG-OG 3.01Å | ||
| 97 | P | 71.8 | Confident | 69.8 | Low | 53 Ų | 53 | 74.6 Ų | 74.6 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | trans | -60.3 | 125.5 | 171 | 23.9 | -30.2 | 0 | 0 | 0 | 109 | E99 V110 | P97-E99 PolarHBondContact O-N 2.02Å; P97-V110 HydrophobicContact CB-CG2 4Å; P97-V110 HydrophobicContact CG-CB 3.81Å; P97-V110 HydrophobicContact CG-CG1 4.26Å; P97-V110 HydrophobicContact CG-CG2 3.54Å | ||
| 98 | S | 61.1 | Low | 68.3 | Low | 127 Ų | 127 | 73.9 Ų | 73.9 | 89% | 0.888 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -73.2 | -10.7 | -170.5 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | C96 | C96-S98 PolarHBondContact O-N 2.73Š|
| 99 | E | 58.3 | Low | 67 | Low | 141 Ų | 141 | 75.5 Ų | 75.5 | 66% | 0.659 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -130 | 134.5 | 178.8 | -57.2 | -157.6 | -168.9 | 0 | 0 | 109.8 | P97 V101 V110 | P97-E99 PolarHBondContact O-N 2.02Å; E99-V101 HydrophobicContact CB-CG1 4.26Å; E99-V101 PolarHBondContact O-N 3.04Å; E99-V110 WeakPolarHBondContact O-CG2 2.94Å |
| 100 | N | 53.4 | Low | 65.7 | Low | 131 Ų | 131 | 74.1 Ų | 74.1 | 70% | 0.701 | 44% | 0.435 | S | S | * | . | trans | -65.3 | 75.7 | 164.5 | 46 | -8 | 0 | 0 | 0 | 108.6 | N102 | N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.85Å | ||
| 101 | V | 53.9 | Low | 64.2 | Low | 62 Ų | 62 | 77.3 Ų | 77.3 | 38% | 0.376 | 45% | 0.454 | S | S | . | . | trans | -66 | 86 | -176.9 | -79.1 | 0 | 0 | 0 | 0 | 110.8 | E99 L103 V110 | E99-V101 HydrophobicContact CB-CG1 4.26Å; E99-V101 PolarHBondContact O-N 3.04Å; V101-L103 VanDerWaalsContact C-N 3.26Å; V101-L103 HydrophobicContact CB-CD1 4.35Å; V101-L103 PolarHBondContact O-N 2.77Å; V101-V110 HydrophobicContact CG2-CG1 4.49Å; V101-V110 HydrophobicContact CG2-CG2 3.73Å | ||
| 102 | N | 52.4 | Low | 62.7 | Low | 106 Ų | 106 | 79.4 Ų | 79.4 | 57% | 0.567 | 47% | 0.466 | S | S | * | . | trans | -75 | 84.3 | 166.3 | -166.2 | -43.8 | 0 | 0 | 0 | 108.5 | N100 N104 V107 | N100-N102 VanDerWaalsContact C-N 3.33Å; N100-N102 PolarHBondContact O-N 2.85Å; N102-N104 PolarHBondContact O-N 3.1Å; N102-V107 VanDerWaalsContact OD1-CG1 3.27Å; N102-V107 WeakPolarHBondContact OD1-CG1 3.4Å | ||
| 103 | L | 49.5 | Very low | 61.2 | Low | 102 Ų | 102 | 85 Ų | 85 | 53% | 0.534 | 48% | 0.483 | S | S | . | . | trans | -69.4 | 99.7 | 177.2 | -85.7 | 143.7 | 0 | 0 | 0 | 109.3 | V101 L105 G106 V107 | V101-L103 VanDerWaalsContact C-N 3.26Å; V101-L103 HydrophobicContact CB-CD1 4.35Å; V101-L103 PolarHBondContact O-N 2.77Å; L103-L105 PolarHBondContact O-N 3.22Å; L103-G106 CarbonylContact O-C 3.55Å; L103-G106 VanDerWaalsContact O-C 3.3Å; L103-G106 PolarHBondContact O-N 3.3Å; L103-G106 VanDerWaalsContact O-O 3.14Å; L103-V107 WeakPolarHBondContact O-CA 3.3Å | ||
| 104 | N | 43.9 | Very low | 59.8 | Low | 147 Ų | 147 | 88.3 Ų | 88.3 | 79% | 0.786 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 28.2 | -175.8 | -163.2 | 35.4 | 0 | 0 | 0 | 115.2 | N102 | N102-N104 PolarHBondContact O-N 3.1Š|
| 105 | L | 43.2 | Very low | 58.3 | Low | 179 Ų | 179 | 89.5 Ų | 89.5 | 94% | 0.937 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.4 | 15.9 | 178.9 | -83.2 | 140.7 | 0 | 0 | 0 | 112.4 | L103 | L103-L105 PolarHBondContact O-N 3.22Š|
| 106 | G | 48.2 | Very low | 56.8 | Low | 39 Ų | 39 | 87.7 Ų | 87.7 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 136 | 92.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | A76 L103 A108 | A76-G106 CarbonylContact O-C 3.43Å; L103-G106 CarbonylContact O-C 3.55Å; L103-G106 VanDerWaalsContact O-C 3.3Å; L103-G106 PolarHBondContact O-N 3.3Å; L103-G106 VanDerWaalsContact O-O 3.14Å; G106-A108 PolarHBondContact O-N 3.17Å |
| 107 | V | 51.4 | Low | 55.3 | Low | 49 Ų | 49 | 90.8 Ų | 90.8 | 30% | 0.297 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 92.9 | -157 | -174 | 0 | 0 | 0 | 0 | 110.7 | A75 A76 N102 L103 | A75-V107 CarbonylContact C-O 3.58Å; A75-V107 WeakPolarHBondContact CA-O 3.44Å; A76-V107 HydrophobicContact CB-CB 4.08Å; A76-V107 PolarHBondContact N-O 3.26Å; A76-V107 PolarHBondContact O-N 3.18Å; N102-V107 VanDerWaalsContact OD1-CG1 3.27Å; N102-V107 WeakPolarHBondContact OD1-CG1 3.4Å; L103-V107 WeakPolarHBondContact O-CA 3.3Å |
| 108 | A | 52.8 | Low | 54.3 | Low | 33 Ų | 33 | 93.2 Ų | 93.2 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 90.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | S74 G106 | S74-A108 CarbonylContact O-C 3.46Å; S74-A108 VanDerWaalsContact O-C 3.26Å; S74-A108 WeakPolarHBondContact O-CA 2.95Å; G106-A108 PolarHBondContact O-N 3.17Å |
| 109 | S | 60.8 | Low | 53.8 | Low | 42 Ų | 42 | 90.9 Ų | 90.9 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 137 | 178.3 | 86.9 | 0 | 0 | 0 | 0 | 112.6 | L73 S74 | L73-S109 CarbonylContact C-O 3.3Å; L73-S109 WeakPolarHBondContact CA-O 3.41Å; S74-S109 PolarHBondContact N-O 3.29Å; S74-S109 PolarHBondContact O-N 2.91Å; S74-S109 PolarHBondContact OG-O 2.79Å; S74-S109 PolarHBondContact OG-OG 3.26Å |
| 110 | V | 60.3 | Low | 53.5 | Low | 22 Ų | 22 | 87.4 Ų | 87.4 | 13% | 0.133 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.6 | 176.5 | -65.3 | 0 | 0 | 0 | 0 | 110.1 | T72 L73 P97 E99 V101 | T72-V110 CarbonylContact O-C 3.5Å; T72-V110 WeakPolarHBondContact O-CA 3.31Å; L73-V110 HydrophobicContact CD1-CG1 3.69Å; L73-V110 HydrophobicContact CG-CG1 3.81Å; P97-V110 HydrophobicContact CB-CG2 4Å; P97-V110 HydrophobicContact CG-CB 3.81Å; P97-V110 HydrophobicContact CG-CG1 4.26Å; P97-V110 HydrophobicContact CG-CG2 3.54Å; E99-V110 WeakPolarHBondContact O-CG2 2.94Å; V101-V110 HydrophobicContact CG2-CG1 4.49Å; V101-V110 HydrophobicContact CG2-CG2 3.73Å |
| 111 | N | 60.7 | Low | 53.5 | Low | 99 Ų | 99 | 84 Ų | 84 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 131.9 | 177.4 | -149.9 | 90.3 | 0 | 0 | 0 | 110.5 | I71 T72 | I71-N111 CarbonylContact C-O 3.51Å; I71-N111 WeakPolarHBondContact CA-O 3.43Å; T72-N111 PolarHBondContact N-O 3.08Å; T72-N111 PolarHBondContact O-N 3.16Å |
| 112 | S | 59.9 | Low | 53.5 | Low | 58 Ų | 58 | 85.8 Ų | 85.8 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 151.8 | 170.3 | 57 | 0 | 0 | 0 | 0 | 110.7 | C70 C96 | C70-S112 WeakPolarHBondContact O-CA 3.41Å; C96-S112 VanDerWaalsContact SG-CB 3.53Å; C96-S112 PolarHBondContact SG-OG 3.01Å |
| 113 | Y | 58.9 | Low | 53.6 | Low | 154 Ų | 154 | 84 Ų | 84 | 60% | 0.604 | 47% | 0.472 | S | S | * | . | trans | -147.5 | 0 | 169.9 | 62.5 | -93.4 | 0 | 0 | 0 | 110.6 | C70 | C70-Y113 HydrophobicContact CB-CD2 4.39Å; C70-Y113 HydrophobicContact CB-CE1 4.08Å; C70-Y113 HydrophobicContact CB-CE2 3.93Å |
Retrieved 113 of 113 residues in 18.5 ms
(Link to these results)