| 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 | 46.2 | Very low | 56.2 | Low | 248 Ų | 248 | 121.5 Ų | 121.5 | 100% | 1.222 | 65% | 0.652 | S | S | * | * | 0 | 114.1 | 0 | -63.4 | -129.7 | -154.1 | 0 | 0 | 107 | |||||
| 2 | S | 50 | Low | 56.8 | Low | 85 Ų | 85 | 123.2 Ų | 123.2 | 59% | 0.594 | 64% | 0.642 | S | S | * | * | trans | -78.4 | 134.9 | -150.6 | 34.9 | 0 | 0 | 0 | 0 | 115 | S4 K5 | S2-S4 PolarHBondContact O-N 2.77Å; S2-K5 PolarHBondContact O-N 2.87Å | ||
| 3 | E | 51.4 | Low | 57.8 | Low | 180 Ų | 180 | 122.2 Ų | 122.2 | 84% | 0.841 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -18.2 | 178.2 | -60.9 | -163.3 | 101.6 | 0 | 0 | 114 | K5 K6 | E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.4Å; E3-K6 PolarHBondContact O-N 2.89Å |
| 4 | S | 56 | Low | 58.8 | Low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.9 | -28.7 | 178.4 | -41 | 0 | 0 | 0 | 0 | 114 | S2 | S2-S4 PolarHBondContact O-N 2.77Å |
| 5 | K | 55.7 | Low | 59.5 | Low | 164 Ų | 164 | 121.1 Ų | 121.1 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.3 | -24.7 | 177.7 | -85.3 | 178.6 | 172.3 | 177.9 | 0 | 113.4 | S2 E3 L9 | S2-K5 PolarHBondContact O-N 2.87Å; E3-K5 VanDerWaalsContact C-N 3.29Å; E3-K5 PolarHBondContact O-N 3.4Å; K5-L9 WeakPolarHBondContact O-CD1 3.08Å; K5-L9 WeakPolarHBondContact O-CG 3.49Å; K5-L9 PolarHBondContact O-N 2.68Å |
| 6 | K | 55.5 | Low | 60.3 | Low | 176 Ų | 176 | 118.3 Ų | 118.3 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -79 | -34.2 | -178.4 | -165.2 | 173.6 | -179 | -178.9 | 0 | 112 | E3 A10 | E3-K6 PolarHBondContact O-N 2.89Å; K6-A10 PolarHBondContact O-N 2.65Å |
| 7 | G | 56.9 | Low | 60.7 | Low | 36 Ų | 36 | 118.5 Ų | 118.5 | 37% | 0.371 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.2 | -41.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A10 I11 | G7-A10 PolarHBondContact O-N 3.42Å; G7-I11 WeakPolarHBondContact O-CD1 3.4Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.17Å; G7-I11 PolarHBondContact O-N 3.43Å |
| 8 | D | 58.1 | Low | 61.2 | Low | 76 Ų | 76 | 113.3 Ų | 113.3 | 41% | 0.406 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68 | -37.7 | -177.9 | -157.7 | 8 | 0 | 0 | 0 | 112.1 | I11 R12 | D8-I11 PolarHBondContact O-N 2.94Å; D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.76Å; D8-R12 IonicContact OD1-CZ 3.59Å; D8-R12 IonicContact OD1-NE 2.94Å; D8-R12 IonicContact OD1-NH2 3.29Å; D8-R12 IonicContact OD2-CZ 3.94Å; D8-R12 IonicContact OD2-NH2 2.78Å; D8-R12 PolarHBondContact OD2-NH2 2.99Å |
| 9 | L | 58.8 | Low | 61.8 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 172.3 | -72.2 | 166.4 | 0 | 0 | 0 | 112.3 | K5 I11 R12 D13 | K5-L9 WeakPolarHBondContact O-CD1 3.08Å; K5-L9 WeakPolarHBondContact O-CG 3.49Å; K5-L9 PolarHBondContact O-N 2.68Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.75Å; L9-R12 PolarHBondContact O-N 2.69Å; L9-D13 WeakPolarHBondContact O-CB 3.32Å; L9-D13 PolarHBondContact O-N 2.74Å |
| 10 | A | 63.6 | Low | 62.2 | Low | 49 Ų | 49 | 113.4 Ų | 113.4 | 41% | 0.405 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68 | -32.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K6 G7 K14 | K6-A10 PolarHBondContact O-N 2.65Å; G7-A10 PolarHBondContact O-N 3.42Å; A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 3.26Å |
| 11 | I | 65.8 | Low | 62.4 | Low | 115 Ų | 115 | 116.4 Ų | 116.4 | 59% | 0.59 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.2 | -42.7 | 174.9 | -66.2 | 160.6 | 0 | 0 | 0 | 110.2 | G7 D8 L9 K14 A15 | G7-I11 WeakPolarHBondContact O-CD1 3.4Å; G7-I11 VanDerWaalsContact O-CG1 3.24Å; G7-I11 WeakPolarHBondContact O-CG1 3.17Å; G7-I11 PolarHBondContact O-N 3.43Å; D8-I11 PolarHBondContact O-N 2.94Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 2.75Å; I11-K14 PolarHBondContact O-N 3.38Å; I11-A15 WeakPolarHBondContact O-CB 3.47Å; I11-A15 PolarHBondContact O-N 3.34Å |
| 12 | R | 63.5 | Low | 63.2 | Low | 141 Ų | 141 | 113.4 Ų | 113.4 | 53% | 0.532 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.7 | -43.7 | 174.9 | -72.1 | -178.9 | -163 | 160.9 | 12 | 112.1 | D8 L9 K14 A15 I16 | D8-R12 WeakPolarHBondContact O-CG 3.34Å; D8-R12 PolarHBondContact O-N 2.76Å; D8-R12 IonicContact OD1-CZ 3.59Å; D8-R12 IonicContact OD1-NE 2.94Å; D8-R12 IonicContact OD1-NH2 3.29Å; D8-R12 IonicContact OD2-CZ 3.94Å; D8-R12 IonicContact OD2-NH2 2.78Å; D8-R12 PolarHBondContact OD2-NH2 2.99Å; L9-R12 PolarHBondContact O-N 2.69Å; R12-K14 PolarHBondContact O-N 3.09Å; R12-A15 WeakPolarHBondContact O-CB 3.22Å; R12-A15 PolarHBondContact O-N 3.06Å; R12-I16 WeakPolarHBondContact O-CB 3.27Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 2.78Å |
| 13 | D | 69.7 | Low | 63.8 | Low | 110 Ų | 110 | 115.3 Ų | 115.3 | 59% | 0.588 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -40.4 | 176.7 | -90.1 | 0.4 | 0 | 0 | 0 | 112.2 | L9 A15 I16 L17 | L9-D13 WeakPolarHBondContact O-CB 3.32Å; L9-D13 PolarHBondContact O-N 2.74Å; D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 2.96Å; D13-I16 PolarHBondContact O-N 2.95Å; D13-L17 VanDerWaalsContact O-CB 3.25Å; D13-L17 WeakPolarHBondContact O-CB 3.5Å; D13-L17 PolarHBondContact O-N 2.93Å |
| 14 | K | 71.4 | Confident | 64.2 | Low | 166 Ų | 166 | 114.2 Ų | 114.2 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -36.1 | 173.9 | -76.6 | -173 | 176.4 | -172.1 | 0 | 112.4 | A10 I11 R12 G18 | A10-K14 WeakPolarHBondContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CG 3.26Å; A10-K14 PolarHBondContact O-N 3.26Å; I11-K14 PolarHBondContact O-N 3.38Å; R12-K14 PolarHBondContact O-N 3.09Å; K14-G18 PolarHBondContact O-N 2.99Å |
| 15 | A | 69.9 | Low | 64.4 | Low | 62 Ų | 62 | 116.5 Ų | 116.5 | 51% | 0.512 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.9 | -43.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 R12 D13 G18 Q19 | I11-A15 WeakPolarHBondContact O-CB 3.47Å; I11-A15 PolarHBondContact O-N 3.34Å; R12-A15 WeakPolarHBondContact O-CB 3.22Å; R12-A15 PolarHBondContact O-N 3.06Å; D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A15 PolarHBondContact O-N 2.96Å; A15-G18 PolarHBondContact O-N 3.32Å; A15-Q19 WeakPolarHBondContact O-CB 3.06Å; A15-Q19 PolarHBondContact O-N 3.1Å |
| 16 | I | 72.8 | Confident | 64.3 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.395 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.8 | -46 | 176.2 | -67.1 | 162.4 | 0 | 0 | 0 | 110.4 | R12 D13 G18 Q19 Q20 | R12-I16 WeakPolarHBondContact O-CB 3.27Å; R12-I16 WeakPolarHBondContact O-CD1 3.49Å; R12-I16 WeakPolarHBondContact O-CG1 3.47Å; R12-I16 PolarHBondContact O-N 2.78Å; D13-I16 PolarHBondContact O-N 2.95Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.42Å; I16-Q19 PolarHBondContact O-N 3.11Å; I16-Q20 WeakPolarHBondContact O-CG 3.32Å; I16-Q20 PolarHBondContact O-N 2.98Å |
| 17 | L | 66.1 | Low | 64.2 | Low | 121 Ų | 121 | 109.4 Ų | 109.4 | 63% | 0.634 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -38 | 178.5 | -158.2 | 74.2 | 0 | 0 | 0 | 111.6 | D13 Q20 R21 | D13-L17 VanDerWaalsContact O-CB 3.25Å; D13-L17 WeakPolarHBondContact O-CB 3.5Å; D13-L17 PolarHBondContact O-N 2.93Å; L17-Q20 PolarHBondContact O-N 2.83Å; L17-R21 WeakPolarHBondContact O-CB 3.38Å; L17-R21 PolarHBondContact O-N 3.03Å |
| 18 | G | 70.3 | Confident | 64.3 | Low | 25 Ų | 25 | 115.3 Ų | 115.3 | 26% | 0.258 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.8 | -36.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K14 A15 I16 R22 | K14-G18 PolarHBondContact O-N 2.99Å; A15-G18 PolarHBondContact O-N 3.32Å; I16-G18 VanDerWaalsContact C-N 3.34Å; I16-G18 PolarHBondContact O-N 3.42Å; G18-R22 WeakPolarHBondContact O-CG 3.5Å; G18-R22 PolarHBondContact O-N 2.91Å; G18-R22 VanDerWaalsContact O-N 3.13Å |
| 19 | Q | 72.1 | Confident | 64 | Low | 132 Ų | 132 | 119.1 Ų | 119.1 | 62% | 0.617 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.7 | -43.2 | 174.1 | -170 | 176.6 | 17.5 | 0 | 0 | 111.1 | A15 I16 R21 R22 L23 | A15-Q19 WeakPolarHBondContact O-CB 3.06Å; A15-Q19 PolarHBondContact O-N 3.1Å; I16-Q19 PolarHBondContact O-N 3.11Å; Q19-R21 PolarHBondContact O-N 2.98Å; Q19-R22 PolarHBondContact O-N 3.32Å; Q19-L23 PolarHBondContact O-N 2.66Å |
| 20 | Q | 70.9 | Confident | 63.8 | Low | 97 Ų | 97 | 119.8 Ų | 119.8 | 45% | 0.453 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.6 | -37.3 | 175.1 | -72.2 | -178.2 | 26.9 | 0 | 0 | 112.6 | I16 L17 L23 K24 | I16-Q20 WeakPolarHBondContact O-CG 3.32Å; I16-Q20 PolarHBondContact O-N 2.98Å; L17-Q20 PolarHBondContact O-N 2.83Å; Q20-L23 PolarHBondContact O-N 2.92Å; Q20-K24 WeakPolarHBondContact O-CB 3.32Å; Q20-K24 WeakPolarHBondContact O-CG 3.43Å; Q20-K24 PolarHBondContact O-N 3.36Å |
| 21 | R | 65.3 | Low | 63.6 | Low | 177 Ų | 177 | 122 Ų | 122 | 67% | 0.668 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.9 | -41.5 | 174.5 | -167.4 | 180 | -165.8 | -178.8 | 5 | 111.7 | L17 Q19 K24 Q25 | L17-R21 WeakPolarHBondContact O-CB 3.38Å; L17-R21 PolarHBondContact O-N 3.03Å; Q19-R21 PolarHBondContact O-N 2.98Å; R21-K24 PolarHBondContact O-N 2.88Å; R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 2.85Å |
| 22 | R | 62.7 | Low | 63.4 | Low | 185 Ų | 185 | 126.5 Ų | 126.5 | 70% | 0.698 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 174.3 | -76.4 | -174.4 | -109.3 | -155.3 | -1.8 | 111.8 | G18 Q19 K24 Q25 A26 | G18-R22 WeakPolarHBondContact O-CG 3.5Å; G18-R22 PolarHBondContact O-N 2.91Å; G18-R22 VanDerWaalsContact O-N 3.13Å; Q19-R22 PolarHBondContact O-N 3.32Å; R22-K24 PolarHBondContact O-N 3.23Å; R22-Q25 PolarHBondContact O-N 3.35Å; R22-A26 WeakPolarHBondContact O-CB 3.48Å; R22-A26 PolarHBondContact O-N 3.17Å |
| 23 | L | 62.6 | Low | 63.1 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.5 | -43 | 177.8 | -149.3 | 81.2 | 0 | 0 | 0 | 111.6 | Q19 Q20 A26 T27 | Q19-L23 PolarHBondContact O-N 2.66Å; Q20-L23 PolarHBondContact O-N 2.92Å; L23-A26 PolarHBondContact O-N 2.87Å; L23-T27 PolarHBondContact O-N 3.38Å; L23-T27 PolarHBondContact O-OG1 3.01Å |
| 24 | K | 60.8 | Low | 62.5 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 68% | 0.683 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.9 | -30.5 | 177.7 | -74 | -176.8 | 178.2 | -177.3 | 0 | 114 | Q20 R21 R22 | Q20-K24 WeakPolarHBondContact O-CB 3.32Å; Q20-K24 WeakPolarHBondContact O-CG 3.43Å; Q20-K24 PolarHBondContact O-N 3.36Å; R21-K24 PolarHBondContact O-N 2.88Å; R22-K24 PolarHBondContact O-N 3.23Å |
| 25 | Q | 59.4 | Low | 61.8 | Low | 146 Ų | 146 | 120.3 Ų | 120.3 | 68% | 0.682 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77.8 | -29.1 | 172.7 | -74.3 | -176.5 | -21.4 | 0 | 0 | 112.4 | R21 R22 T27 | R21-Q25 WeakPolarHBondContact O-CG 3.44Å; R21-Q25 PolarHBondContact O-N 2.85Å; R22-Q25 PolarHBondContact O-N 3.35Å; Q25-T27 VanDerWaalsContact C-N 3.31Å |
| 26 | A | 53.4 | Low | 61.1 | Low | 84 Ų | 84 | 121.5 Ų | 121.5 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -77.3 | -14.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R22 L23 | R22-A26 WeakPolarHBondContact O-CB 3.48Å; R22-A26 PolarHBondContact O-N 3.17Å; L23-A26 PolarHBondContact O-N 2.87Å |
| 27 | T | 54.6 | Low | 60.4 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 66% | 0.656 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 45.1 | 179.3 | 29 | 0 | 0 | 0 | 0 | 113.2 | L23 Q25 | L23-T27 PolarHBondContact O-N 3.38Å; L23-T27 PolarHBondContact O-OG1 3.01Å; Q25-T27 VanDerWaalsContact C-N 3.31Å |
| 28 | Q | 58 | Low | 60.1 | Low | 160 Ų | 160 | 122.7 Ų | 122.7 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | trans | -131.2 | 79.7 | 157.8 | -82.4 | -169.7 | -5.3 | 0 | 0 | 110.2 | ||||
| 29 | F | 52.2 | Low | 59.5 | Low | 157 Ų | 157 | 126.9 Ų | 126.9 | 69% | 0.689 | 65% | 0.648 | S | S | * | * | trans | -126.3 | 65.9 | 152.9 | -110.3 | -95 | 0 | 0 | 0 | 107.1 | H31 L37 | F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 AromaticContact CD1-CD2 3.5Å; F29-H31 VanDerWaalsContact CD1-CD2 3.5Å; F29-H31 WeakPolarHBondContact CD1-CD2 3.45Å; F29-H31 AromaticContact CE1-CD2 3.67Å; F29-H31 AromaticContact CE1-NE2 3.96Å; F29-L37 HydrophobicContact CD1-CD2 4.15Å; F29-L37 HydrophobicContact CE1-CD2 3.85Å | ||
| 30 | T | 54.3 | Low | 58.7 | Low | 124 Ų | 124 | 125.3 Ų | 125.3 | 76% | 0.761 | 64% | 0.643 | S | S | * | * | trans | -100.4 | 63.8 | 165.1 | 57.5 | 0 | 0 | 0 | 0 | 108 | K32 | T30-K32 PolarHBondContact O-N 2.68Š| ||
| 31 | H | 59.1 | Low | 58 | Low | 94 Ų | 94 | 128.6 Ų | 128.6 | 44% | 0.435 | 66% | 0.664 | S | S | . | * | trans | -75.5 | 112.2 | 162.3 | -70.5 | -89.3 | 0 | 0 | 0 | 106.2 | F29 D33 D36 | F29-H31 VanDerWaalsContact C-N 3.34Å; F29-H31 AromaticContact CD1-CD2 3.5Å; F29-H31 VanDerWaalsContact CD1-CD2 3.5Å; F29-H31 WeakPolarHBondContact CD1-CD2 3.45Å; F29-H31 AromaticContact CE1-CD2 3.67Å; F29-H31 AromaticContact CE1-NE2 3.96Å; H31-D33 PolarHBondContact O-N 3.43Å; H31-D36 HydrophobicContact CB-CB 4.22Å; H31-D36 IonicContact CE1-OD2 3.43Å; H31-D36 IonicContact CG-OD2 2.61Å; H31-D36 IonicContact ND1-OD2 3.55Å; H31-D36 PolarHBondContact ND1-OD2 2.83Å | ||
| 32 | K | 62.1 | Low | 57.3 | Low | 210 Ų | 210 | 123.6 Ų | 123.6 | 91% | 0.913 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -81.2 | 1.4 | -176.8 | -120.7 | 170.1 | 172.3 | 176 | 0 | 112.9 | T30 | T30-K32 PolarHBondContact O-N 2.68Š|
| 33 | D | 58 | Low | 56.7 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 62% | 0.62 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -129 | 131.6 | 173.5 | -86.8 | -46 | 0 | 0 | 0 | 109.6 | H31 A35 | H31-D33 PolarHBondContact O-N 3.43Å; D33-A35 PolarHBondContact O-N 2.95Å |
| 34 | S | 56.2 | Low | 56.4 | Low | 111 Ų | 111 | 122.9 Ų | 122.9 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -0.9 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 35 | A | 56 | Low | 56.2 | Low | 61 Ų | 61 | 124.5 Ų | 124.5 | 50% | 0.504 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.3 | -21.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D33 | D33-A35 PolarHBondContact O-N 2.95Š|
| 36 | D | 56.8 | Low | 55.7 | Low | 86 Ų | 86 | 125.1 Ų | 125.1 | 46% | 0.46 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -6.2 | -174.9 | -81.5 | -9.5 | 0 | 0 | 0 | 114.3 | H31 L38 | H31-D36 HydrophobicContact CB-CB 4.22Å; H31-D36 IonicContact CE1-OD2 3.43Å; H31-D36 IonicContact CG-OD2 2.61Å; H31-D36 IonicContact ND1-OD2 3.55Å; H31-D36 PolarHBondContact ND1-OD2 2.83Å; D36-L38 VanDerWaalsContact C-N 3.3Å |
| 37 | L | 58.3 | Low | 55.9 | Low | 119 Ų | 119 | 124.5 Ų | 124.5 | 62% | 0.623 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 1.5 | 178.5 | -64.1 | -179.7 | 0 | 0 | 0 | 113.5 | F29 | F29-L37 HydrophobicContact CD1-CD2 4.15Å; F29-L37 HydrophobicContact CE1-CD2 3.85Å |
| 38 | L | 58.8 | Low | 55.6 | Low | 104 Ų | 104 | 126.1 Ų | 126.1 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | S | Bend | trans | -91.5 | 133.8 | 172 | -60.6 | -180 | 0 | 0 | 0 | 108.6 | D36 L40 | D36-L38 VanDerWaalsContact C-N 3.3Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.93Å |
| 39 | P | 57.5 | Low | 55.6 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | trans | -59.7 | 97.5 | 171.7 | 22.4 | -30.2 | 0 | 0 | 0 | 109.6 | D41 G42 | P39-D41 PolarHBondContact O-N 3.21Å; P39-G42 PolarHBondContact O-N 2.88Å | ||
| 40 | L | 56.7 | Low | 55.9 | Low | 99 Ų | 99 | 122.1 Ų | 122.1 | 52% | 0.518 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | 4.4 | -176.8 | -70.1 | 179.1 | 0 | 0 | 0 | 114 | L38 | L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.93Å |
| 41 | D | 55.2 | Low | 56.1 | Low | 167 Ų | 167 | 118.4 Ų | 118.4 | 89% | 0.893 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -4.9 | 171 | -83.4 | -24.7 | 0 | 0 | 0 | 113.8 | P39 | P39-D41 PolarHBondContact O-N 3.21Š|
| 42 | G | 51.5 | Low | 56.1 | Low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -20.4 | 170 | 0 | 0 | 0 | 0 | 0 | 114.5 | P39 | P39-G42 PolarHBondContact O-N 2.88Š|
| 43 | L | 48.8 | Very low | 56.8 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 59% | 0.592 | 64% | 0.643 | S | S | * | * | trans | -101.5 | 29 | -172.6 | -149.9 | 73 | 0 | 0 | 0 | 112.9 | R45 | L43-R45 PolarHBondContact O-N 2.79Š| ||
| 44 | K | 56.6 | Low | 57.4 | Low | 182 Ų | 182 | 114 Ų | 114 | 79% | 0.791 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 93.2 | 168.1 | -144.2 | 172.6 | -169.4 | 169.5 | 0 | 108.2 | ||
| 45 | R | 57.6 | Low | 58.4 | Low | 190 Ų | 190 | 113.9 Ų | 113.9 | 72% | 0.717 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.9 | 45.5 | 157.5 | -71.2 | 167.5 | 55.8 | -135.8 | -4.7 | 115.5 | L43 | L43-R45 PolarHBondContact O-N 2.79Š|
| 46 | L | 48.5 | Very low | 59.3 | Low | 160 Ų | 160 | 112 Ų | 112 | 84% | 0.838 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -119.6 | 109.1 | 156.5 | -160.8 | 67.1 | 0 | 0 | 0 | 109.4 | ||
| 47 | G | 56.4 | Low | 60.3 | Low | 70 Ų | 70 | 110.8 Ų | 110.8 | 72% | 0.722 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 112.2 | -7.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||
| 48 | T | 48.4 | Very low | 61.2 | Low | 142 Ų | 142 | 108.9 Ų | 108.9 | 87% | 0.871 | 60% | 0.6 | S | S | * | * | trans | -126.3 | -1.9 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 114.5 | K50 | T48-K50 PolarHBondContact O-N 2.82Å; T48-K50 VanDerWaalsContact O-N 3.17Å | ||
| 49 | S | 57.7 | Low | 62.3 | Low | 63 Ų | 63 | 109.2 Ų | 109.2 | 44% | 0.441 | 60% | 0.598 | S | S | . | * | trans | -74.4 | 112.9 | -178.3 | -147.9 | 0 | 0 | 0 | 0 | 109.5 | D51 L52 | S49-D51 PolarHBondContact O-N 3.3Å; S49-D51 VanDerWaalsContact OG-CB 3.29Å; S49-D51 WeakPolarHBondContact OG-CB 3.34Å; S49-L52 PolarHBondContact O-N 2.72Å | ||
| 50 | K | 59.4 | Low | 63.2 | Low | 170 Ų | 170 | 110.1 Ų | 110.1 | 74% | 0.739 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -53.4 | -6.1 | 168.3 | -67.6 | -177.4 | 175 | -179 | 0 | 113.6 | T48 Q53 S56 | T48-K50 PolarHBondContact O-N 2.82Å; T48-K50 VanDerWaalsContact O-N 3.17Å; K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 WeakPolarHBondContact O-CG 3.48Å; K50-Q53 PolarHBondContact O-N 2.87Å; K50-S56 WeakPolarHBondContact O-CB 3.38Å; K50-S56 PolarHBondContact O-OG 3.2Å |
| 51 | D | 58.3 | Low | 64.3 | Low | 46 Ų | 46 | 114.5 Ų | 114.5 | 25% | 0.246 | 60% | 0.597 | C | S | . | * | G | 310 helix | trans | -75.4 | -16.1 | -175.6 | -159.8 | 51.5 | 0 | 0 | 0 | 114.8 | S49 R60 | S49-D51 PolarHBondContact O-N 3.3Å; S49-D51 VanDerWaalsContact OG-CB 3.29Å; S49-D51 WeakPolarHBondContact OG-CB 3.34Å; D51-R60 IonicContact OD1-CZ 2.87Å; D51-R60 IonicContact OD1-NH2 3.66Å; D51-R60 PolarHBondContact OD1-NH2 3.48Å; D51-R60 IonicContact OD2-CZ 3.66Å; D51-R60 IonicContact OD2-NH1 3.61Å; D51-R60 IonicContact OD2-NH2 3.9Å; D51-R60 PolarHBondContact OD2-NH2 2.96Å |
| 52 | L | 58.7 | Low | 65.3 | Low | 126 Ų | 126 | 113 Ų | 113 | 66% | 0.66 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -96.5 | 1.5 | 172.2 | -64.9 | 177.1 | 0 | 0 | 0 | 113 | S49 | S49-L52 PolarHBondContact O-N 2.72Š|
| 53 | Q | 77.2 | Confident | 66.2 | Low | 104 Ų | 104 | 117 Ų | 117 | 49% | 0.486 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -71.3 | 145.2 | 172.8 | -63.8 | -121.1 | -69.8 | 0 | 0 | 109.9 | K50 H55 S56 I57 | K50-Q53 WeakPolarHBondContact O-CB 3.35Å; K50-Q53 WeakPolarHBondContact O-CG 3.48Å; K50-Q53 PolarHBondContact O-N 2.87Å; Q53-H55 VanDerWaalsContact C-N 3.26Å; Q53-H55 VanDerWaalsContact CB-CE1 3.47Å; Q53-H55 WeakPolarHBondContact CB-CE1 3.29Å; Q53-H55 PolarHBondContact O-N 3.37Å; Q53-H55 PolarHBondContact OE1-CE1 2.83Å; Q53-S56 WeakPolarHBondContact O-CB 3.46Å; Q53-S56 PolarHBondContact O-N 3.33Å; Q53-I57 PolarHBondContact O-N 3.05Å |
| 54 | P | 71.1 | Confident | 67.2 | Low | 98 Ų | 98 | 114.3 Ų | 114.3 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -57.4 | -37.7 | -172.6 | 16.4 | -28.6 | 0 | 0 | 0 | 113.1 | I57 V58 | P54-I57 PolarHBondContact O-N 2.89Å; P54-V58 WeakPolarHBondContact O-CG2 3.44Å; P54-V58 PolarHBondContact O-N 3.32Å |
| 55 | H | 76.1 | Confident | 67 | Low | 108 Ų | 108 | 107.7 Ų | 107.7 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.2 | -40.7 | 177.7 | 64.3 | -91.3 | 0 | 0 | 0 | 112.7 | Q53 I57 V58 Q59 | Q53-H55 VanDerWaalsContact C-N 3.26Å; Q53-H55 VanDerWaalsContact CB-CE1 3.47Å; Q53-H55 WeakPolarHBondContact CB-CE1 3.29Å; Q53-H55 PolarHBondContact O-N 3.37Å; Q53-H55 PolarHBondContact OE1-CE1 2.83Å; H55-I57 PolarHBondContact O-N 3.47Å; H55-V58 PolarHBondContact O-N 3.18Å; H55-Q59 WeakPolarHBondContact O-CB 3.35Å; H55-Q59 PolarHBondContact O-N 3.39Å |
| 56 | S | 76.6 | Confident | 67.1 | Low | 21 Ų | 21 | 106.7 Ų | 106.7 | 15% | 0.147 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -65.6 | -37 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | K50 Q53 R60 | K50-S56 WeakPolarHBondContact O-CB 3.38Å; K50-S56 PolarHBondContact O-OG 3.2Å; Q53-S56 WeakPolarHBondContact O-CB 3.46Å; Q53-S56 PolarHBondContact O-N 3.33Å; S56-R60 WeakPolarHBondContact O-CB 3.35Å; S56-R60 PolarHBondContact O-N 3.06Å |
| 57 | I | 76.6 | Confident | 67.4 | Low | 60 Ų | 60 | 105.9 Ų | 105.9 | 31% | 0.308 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.4 | -44.9 | 176.9 | -63.9 | 168.6 | 0 | 0 | 0 | 110.5 | Q53 P54 H55 R60 R61 | Q53-I57 PolarHBondContact O-N 3.05Å; P54-I57 PolarHBondContact O-N 2.89Å; H55-I57 PolarHBondContact O-N 3.47Å; I57-R60 PolarHBondContact O-N 3.34Å; I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 3.44Å |
| 58 | V | 78.2 | Confident | 66.9 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -45.9 | 178.2 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | P54 H55 R60 R61 L62 | P54-V58 WeakPolarHBondContact O-CG2 3.44Å; P54-V58 PolarHBondContact O-N 3.32Å; H55-V58 PolarHBondContact O-N 3.18Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.49Å; V58-R61 PolarHBondContact O-N 3.48Å; V58-R61 VanDerWaalsContact O-N 3.11Å; V58-L62 HydrophobicContact CG1-CD1 3.72Å; V58-L62 HydrophobicContact CG1-CG 4.25Å; V58-L62 WeakPolarHBondContact O-CB 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 2.91Å |
| 59 | Q | 80.6 | Confident | 66.9 | Low | 111 Ų | 111 | 110 Ų | 110 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.3 | -43 | 176.2 | -174.6 | 175.6 | -11.4 | 0 | 0 | 111.3 | H55 L62 M63 | H55-Q59 WeakPolarHBondContact O-CB 3.35Å; H55-Q59 PolarHBondContact O-N 3.39Å; Q59-L62 PolarHBondContact O-N 3.37Å; Q59-M63 HydrophobicContact CG-CG 4.19Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 WeakPolarHBondContact O-CG 3.46Å; Q59-M63 PolarHBondContact O-N 2.95Å |
| 60 | R | 78.2 | Confident | 66.4 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 50% | 0.498 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.2 | -47.3 | 173.5 | 178 | -177 | -66.5 | -177.5 | -7.9 | 112 | D51 S56 I57 V58 L62 M63 A64 | D51-R60 IonicContact OD1-CZ 2.87Å; D51-R60 IonicContact OD1-NH2 3.66Å; D51-R60 PolarHBondContact OD1-NH2 3.48Å; D51-R60 IonicContact OD2-CZ 3.66Å; D51-R60 IonicContact OD2-NH1 3.61Å; D51-R60 IonicContact OD2-NH2 3.9Å; D51-R60 PolarHBondContact OD2-NH2 2.96Å; S56-R60 WeakPolarHBondContact O-CB 3.35Å; S56-R60 PolarHBondContact O-N 3.06Å; I57-R60 PolarHBondContact O-N 3.34Å; V58-R60 VanDerWaalsContact C-N 3.3Å; V58-R60 PolarHBondContact O-N 3.49Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å; R60-M63 PolarHBondContact O-N 2.78Å; R60-A64 WeakPolarHBondContact O-CA 3.35Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 2.87Å |
| 61 | R | 78.1 | Confident | 65.3 | Low | 192 Ų | 192 | 118.5 Ų | 118.5 | 73% | 0.725 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.5 | -37.3 | -179.4 | -73.6 | 177.5 | -179.1 | 178 | 1 | 112.3 | I57 V58 | I57-R61 WeakPolarHBondContact O-CG 3.47Å; I57-R61 PolarHBondContact O-N 3.44Å; V58-R61 PolarHBondContact O-N 3.48Å; V58-R61 VanDerWaalsContact O-N 3.11Å |
| 62 | L | 76.7 | Confident | 64.2 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 71% | 0.712 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.7 | -40.2 | 176.4 | -70.1 | 170.9 | 0 | 0 | 0 | 112 | V58 Q59 R60 | V58-L62 HydrophobicContact CG1-CD1 3.72Å; V58-L62 HydrophobicContact CG1-CG 4.25Å; V58-L62 WeakPolarHBondContact O-CB 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 2.91Å; Q59-L62 PolarHBondContact O-N 3.37Å; R60-L62 VanDerWaalsContact C-N 3.32Å; R60-L62 PolarHBondContact O-N 3.29Å |
| 63 | M | 69.8 | Low | 63 | Low | 154 Ų | 154 | 120.8 Ų | 120.8 | 76% | 0.759 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -79 | -31.3 | 179.7 | -65.3 | -118.5 | 164.2 | 0 | 0 | 112.9 | Q59 R60 G65 | Q59-M63 HydrophobicContact CG-CG 4.19Å; Q59-M63 VanDerWaalsContact O-CB 3.25Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 WeakPolarHBondContact O-CG 3.46Å; Q59-M63 PolarHBondContact O-N 2.95Å; R60-M63 PolarHBondContact O-N 2.78Å; M63-G65 PolarHBondContact O-N 3.23Å |
| 64 | A | 70.4 | Confident | 60.8 | Low | 57 Ų | 57 | 120.8 Ų | 120.8 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -80.5 | 37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | R60 N66 | R60-A64 WeakPolarHBondContact O-CA 3.35Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 2.87Å; A64-N66 PolarHBondContact O-N 2.91Å |
| 65 | G | 53.5 | Low | 59.2 | Low | 43 Ų | 43 | 125.9 Ų | 125.9 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | trans | -37.8 | 126.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M63 I67 | M63-G65 PolarHBondContact O-N 3.23Å; G65-I67 WeakPolarHBondContact O-CG1 3.33Å; G65-I67 PolarHBondContact O-N 3.22Å; G65-I67 VanDerWaalsContact O-N 3.12Å | ||
| 66 | N | 58.4 | Low | 57.2 | Low | 168 Ų | 168 | 127.7 Ų | 127.7 | 90% | 0.898 | 67% | 0.667 | S | S | * | * | trans | 24 | 73.5 | 160.7 | -59.5 | -2.5 | 0 | 0 | 0 | 116.1 | A64 T68 | A64-N66 PolarHBondContact O-N 2.91Å; N66-T68 PolarHBondContact O-N 3.27Å | ||
| 67 | I | 54.5 | Low | 55.2 | Low | 143 Ų | 143 | 130 Ų | 130 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -96.7 | 86.7 | 166.8 | -35.1 | 178.8 | 0 | 0 | 0 | 108.2 | G65 | G65-I67 WeakPolarHBondContact O-CG1 3.33Å; G65-I67 PolarHBondContact O-N 3.22Å; G65-I67 VanDerWaalsContact O-N 3.12Å | ||
| 68 | T | 46.6 | Very low | 53.1 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | trans | 63.1 | 99.9 | 153.9 | 56.1 | 0 | 0 | 0 | 0 | 119.2 | N66 | N66-T68 PolarHBondContact O-N 3.27Š| ||
| 69 | Q | 48.7 | Very low | 51.3 | Low | 176 Ų | 176 | 140 Ų | 140 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -58.9 | 153.4 | 131.4 | -72.6 | -147.9 | 52.3 | 0 | 0 | 111.4 | ||||
| 70 | L | 46.5 | Very low | 49 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | 82.2 | 99.7 | 155.9 | -61.5 | 164.6 | 0 | 0 | 0 | 120.6 | ||||
| 71 | R | 36.9 | Very low | 47.2 | Very low | 250 Ų | 250 | 139.1 Ų | 139.1 | 94% | 0.943 | 76% | 0.76 | S | S | * | * | trans | -160.7 | 82.8 | 136.8 | -169.3 | 171.8 | 179.6 | -142.2 | -1.4 | 107.3 | ||||
| 72 | G | 34.7 | Very low | 45.1 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | 69.4 | 127.7 | 92.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 73 | E | 34 | Very low | 43.1 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | -178.6 | 136.5 | 10.6 | -166.1 | 179.1 | 139.4 | 0 | 0 | 106.1 | R75 | E73-R75 IonicContact OE1-CZ 3.48Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.97Å; E73-R75 IonicContact OE1-NH2 2.83Å; E73-R75 PolarHBondContact OE1-NH2 3.26Å | ||
| 74 | A | 31.3 | Very low | 41.5 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -167.1 | 106.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 75 | R | 36.7 | Very low | 39.8 | Very low | 204 Ų | 204 | 140 Ų | 140 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -56.1 | 137.5 | -178.8 | -57 | 160.6 | -167.8 | -176 | 1.3 | 113.8 | E73 | E73-R75 IonicContact OE1-CZ 3.48Å; E73-R75 IonicContact OE1-NE 3.27Å; E73-R75 PolarHBondContact OE1-NE 2.97Å; E73-R75 IonicContact OE1-NH2 2.83Å; E73-R75 PolarHBondContact OE1-NH2 3.26Å | ||
| 76 | V | 35.3 | Very low | 38.9 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -147.9 | 110.8 | 131.1 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 77 | G | 33.3 | Very low | 37.6 | Very low | 70 Ų | 70 | 148.7 Ų | 148.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -80 | 139.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 78 | R | 33.6 | Very low | 36.5 | Very low | 219 Ų | 219 | 145.6 Ų | 145.6 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | -132.6 | 116.7 | 154.8 | -93.4 | 179.2 | 68 | -133.5 | 2.6 | 107.5 | ||||
| 79 | P | 39.1 | Very low | 35.7 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | trans | -79.6 | 145.2 | 171.4 | 5.4 | 11 | 0 | 0 | 0 | 110.1 | ||||
| 80 | S | 33.3 | Very low | 35.1 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | trans | -124.3 | 156.4 | 166.4 | -70.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 81 | P | 40.5 | Very low | 34.5 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | trans | -93.2 | 139.3 | -131.3 | 34 | -33.5 | 0 | 0 | 0 | 113 | ||||
| 82 | L | 33.6 | Very low | 34.3 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 88% | 0.88 | 82% | 0.815 | S | S | * | * | trans | -130.8 | 106.2 | 162.6 | -166.9 | 79 | 0 | 0 | 0 | 106.7 | ||||
| 83 | V | 35.3 | Very low | 34.7 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | -92 | 117.1 | 168.7 | -58.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 84 | D | 35.1 | Very low | 35 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -134.4 | 141.1 | 158.5 | -143.6 | -57.3 | 0 | 0 | 0 | 108.1 | ||||
| 85 | S | 35.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | -103.2 | 140.7 | -157.5 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 86 | K | 33.4 | Very low | 35.4 | Very low | 202 Ų | 202 | 136.9 Ų | 136.9 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | trans | -165.6 | 141.4 | 137.9 | -158.9 | 123.8 | 179.2 | 175.5 | 0 | 113.6 | ||||
| 87 | E | 30.9 | Very low | 36 | Very low | 192 Ų | 192 | 134.3 Ų | 134.3 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | 92.5 | 114.3 | 156.6 | -148.9 | 173.3 | 149.6 | 0 | 0 | 115.8 | ||||
| 88 | G | 32.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 139.8 Ų | 139.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | cis | -179.4 | 163 | -2.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 89 | G | 29.7 | Very low | 36.7 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | 116.8 | 111.1 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 90 | A | 34.8 | Very low | 36.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 95% | 0.95 | 81% | 0.805 | S | S | * | * | trans | 81.2 | 121.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 91 | G | 34.8 | Very low | 36.8 | Very low | 78 Ų | 78 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 142.1 | 85.4 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 92 | D | 33.7 | Very low | 36.8 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | trans | 17.4 | 151.9 | 148.3 | -109.2 | -94.6 | 0 | 0 | 0 | 124.7 | ||||
| 93 | A | 42.4 | Very low | 37 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 104.6 | 119.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 94 | E | 39.6 | Very low | 37.5 | Very low | 184 Ų | 184 | 129.9 Ų | 129.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -66.9 | 169.6 | 177 | -62.4 | -170.1 | 102.6 | 0 | 0 | 115.1 | ||||
| 95 | E | 40 | Very low | 37.9 | Very low | 167 Ų | 167 | 128 Ų | 128 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 133.7 | 101.5 | 151.1 | -69.7 | -92.8 | 113.9 | 0 | 0 | 108.7 | ||||
| 96 | K | 36.6 | Very low | 38.5 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | 91.7 | 133.3 | 75.4 | -177.3 | 173.4 | 173.9 | -178.6 | 0 | 112.8 | |||||
| 97 | S | 48.8 | Very low | 38.8 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | 100.8 | 111.7 | 165.5 | -43.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 98 | E | 41.1 | Very low | 39.5 | Very low | 184 Ų | 184 | 127.8 Ų | 127.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | 78.1 | 128.1 | 73.9 | -172.8 | 174.5 | 87 | 0 | 0 | 109.5 | |||||
| 99 | S | 39.9 | Very low | 39.9 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | cis | -167.5 | 159.3 | 23.3 | 36.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 100 | T | 35.3 | Very low | 40.2 | Very low | 134 Ų | 134 | 139 Ų | 139 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 36.5 | 152.3 | 137.4 | 65.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 101 | A | 39.3 | Very low | 40.3 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 63% | 0.628 | 77% | 0.772 | S | S | * | * | cis | -178.5 | 155.4 | -10.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 102 | D | 39.9 | Very low | 40.7 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | 53.1 | 156 | 148.4 | -72.3 | -67.6 | 0 | 0 | 0 | 120 | ||||
| 103 | D | 37.6 | Very low | 40.9 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -177.9 | 151.9 | -9.1 | 172 | 44.2 | 0 | 0 | 0 | 105.8 | ||||
| 104 | S | 45.7 | Very low | 40.5 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 57% | 0.573 | 77% | 0.767 | S | S | * | * | trans | 52 | 121.9 | 152.3 | -71.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 105 | T | 43.8 | Very low | 40.7 | Very low | 111 Ų | 111 | 146 Ų | 146 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | 75 | 122.5 | 78.2 | -25.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 106 | E | 47.7 | Very low | 40.5 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 138 | 118.7 | 134 | -62.3 | -98.5 | 107.6 | 0 | 0 | 111.9 | ||||
| 107 | E | 40.5 | Very low | 40.9 | Very low | 188 Ų | 188 | 142.3 Ų | 142.3 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -82.9 | 141.2 | 172.4 | -51.8 | -138.8 | 113.1 | 0 | 0 | 109.4 | ||||
| 108 | S | 46.6 | Very low | 40.4 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -135.5 | 106.3 | 174.6 | -146.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 109 | E | 39 | Very low | 40.8 | Very low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | -76 | 132.4 | 175 | -40.8 | -170.7 | 129.8 | 0 | 0 | 109 | ||||
| 110 | R | 37.5 | Very low | 40.7 | Very low | 208 Ų | 208 | 150.8 Ų | 150.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -132.3 | 101.9 | 169.5 | -164.3 | 167.8 | -174.4 | -95.2 | -2.9 | 111.4 | ||||
| 111 | S | 37 | Very low | 40.8 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | -58.8 | 139.5 | 160.3 | -51.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 112 | L | 43.4 | Very low | 40.6 | Very low | 142 Ų | 142 | 152 Ų | 152 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -119.8 | 105.8 | 167.7 | -80.9 | 175.7 | 0 | 0 | 0 | 108.8 | ||||
| 113 | E | 37.2 | Very low | 40.6 | Very low | 179 Ų | 179 | 149.3 Ų | 149.3 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -81.9 | 153.4 | 170.2 | -66.8 | -177.5 | 112.7 | 0 | 0 | 111.3 | ||||
| 114 | T | 34.6 | Very low | 40.5 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -46.5 | 139 | 172.2 | 44.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 115 | R | 42.8 | Very low | 40.3 | Very low | 232 Ų | 232 | 153.5 Ų | 153.5 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | trans | -137.9 | 119.5 | 154.1 | -70.8 | -168.6 | 170.2 | -167.1 | -4.9 | 110.5 | ||||
| 116 | S | 36.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | -86.2 | 134.1 | 165 | -36.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 117 | D | 43.8 | Very low | 39.1 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -138.6 | 123.3 | 160.6 | -80.4 | -46.8 | 0 | 0 | 0 | 108.1 | ||||
| 118 | E | 39.8 | Very low | 39.2 | Very low | 179 Ų | 179 | 148.3 Ų | 148.3 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -90.6 | 142.5 | 170.2 | -57 | -160.4 | 132.7 | 0 | 0 | 108.4 | ||||
| 119 | E | 48.7 | Very low | 38.7 | Very low | 187 Ų | 187 | 149 Ų | 149 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | -136 | 112.7 | 163.6 | -71.6 | -69.6 | 157.6 | 0 | 0 | 107.9 | ||||
| 120 | E | 38.8 | Very low | 38.7 | Very low | 179 Ų | 179 | 145.1 Ų | 145.1 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -94.7 | 149.2 | 163 | -70.4 | -153.1 | 151.2 | 0 | 0 | 109.9 | ||||
| 121 | D | 36.1 | Very low | 38.8 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | 131 | 132.6 | 126.6 | -156.9 | 20.9 | 0 | 0 | 0 | 117.2 | |||||
| 122 | S | 36.1 | Very low | 38.8 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 82% | 0.815 | S | S | * | * | trans | 64.8 | 151.5 | 147.1 | 72.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 123 | S | 38.6 | Very low | 38.6 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | cis | -176.9 | 147.8 | -25.7 | 54.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 124 | E | 37.3 | Very low | 38.4 | Very low | 193 Ų | 193 | 135.7 Ų | 135.7 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | 52.9 | 116.7 | 148.2 | -60.7 | -139.1 | 115.8 | 0 | 0 | 123.1 | ||||
| 125 | A | 40.9 | Very low | 38.9 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 88% | 0.876 | 82% | 0.82 | S | S | * | * | -167.1 | 125.2 | 121.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 126 | G | 32.9 | Very low | 38.6 | Very low | 87 Ų | 87 | 131 Ų | 131 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | cis | 111.5 | 84.1 | 34.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 127 | G | 33.2 | Very low | 38.8 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -173.8 | 84.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 128 | K | 41.8 | Very low | 38.7 | Very low | 205 Ų | 205 | 133 Ų | 133 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -64.3 | 146 | 177.6 | -72.5 | 166.1 | 168.7 | 171.9 | 0 | 113.1 | ||||
| 129 | T | 37.1 | Very low | 39 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | -160.9 | 121 | 120.5 | 36 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 130 | S | 39.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 48.8 | 95 | 146.8 | 59.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 131 | S | 39.9 | Very low | 39.3 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | 16.6 | 121.9 | 125.8 | 59.8 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 132 | T | 35.4 | Very low | 40.2 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | -152.9 | 140.9 | 118.1 | -19.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 133 | A | 39.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -63.2 | 148.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 134 | G | 34.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 165.1 | 60.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | D136 | G134-D136 PolarHBondContact O-N 2.97Š| ||
| 135 | S | 43.8 | Very low | 43 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -68 | 78.4 | 170.8 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | K137 | S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.33Å | ||
| 136 | D | 36.2 | Very low | 44.1 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -90.7 | 81 | 157.9 | -130.1 | -62.3 | 0 | 0 | 0 | 106.4 | G134 T138 | G134-D136 PolarHBondContact O-N 2.97Å; D136-T138 PolarHBondContact O-N 2.86Å | ||
| 137 | K | 41.8 | Very low | 45.8 | Very low | 191 Ų | 191 | 149.2 Ų | 149.2 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -67 | 83.9 | 153.5 | -73.9 | -173.8 | 176.5 | -176.4 | 0 | 104.8 | S135 E139 | S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.33Å; K137-E139 PolarHBondContact O-N 2.89Å | ||
| 138 | T | 41 | Very low | 48.2 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -61.7 | 89.9 | 155.9 | -45.3 | 0 | 0 | 0 | 0 | 104 | D136 E140 | D136-T138 PolarHBondContact O-N 2.86Å; T138-E140 PolarHBondContact O-N 3.27Å | ||
| 139 | E | 45.9 | Very low | 50.5 | Low | 165 Ų | 165 | 141.6 Ų | 141.6 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | trans | -53.9 | 96.1 | 151.2 | -76.9 | -140.3 | 146.1 | 0 | 0 | 104 | K137 R141 | K137-E139 PolarHBondContact O-N 2.89Å; E139-R141 PolarHBondContact O-N 3.16Å | ||
| 140 | E | 46.3 | Very low | 53.2 | Low | 166 Ų | 166 | 136.8 Ų | 136.8 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -63.4 | 77.7 | 155.3 | -158.9 | -168.1 | 176.7 | 0 | 0 | 103.8 | T138 R142 | T138-E140 PolarHBondContact O-N 3.27Å; E140-R142 PolarHBondContact O-N 3.32Å | ||
| 141 | R | 48.5 | Very low | 55.9 | Low | 211 Ų | 211 | 134.2 Ų | 134.2 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | trans | -57.3 | 94.3 | 169.3 | -170.4 | 177.6 | -161.4 | -112.1 | 2.3 | 101.6 | E139 K143 | E139-R141 PolarHBondContact O-N 3.16Å; R141-K143 PolarHBondContact O-N 2.93Å | ||
| 142 | R | 53.4 | Low | 58.6 | Low | 216 Ų | 216 | 129 Ų | 129 | 82% | 0.815 | 67% | 0.669 | S | S | * | * | trans | -49.6 | 100 | 175.3 | -79 | -179.3 | 173.3 | 173.1 | -1.6 | 103 | E140 E144 | E140-R142 PolarHBondContact O-N 3.32Å; R142-E144 PolarHBondContact O-N 2.8Å | ||
| 143 | K | 55.6 | Low | 61.5 | Low | 186 Ų | 186 | 124.7 Ų | 124.7 | 81% | 0.809 | 64% | 0.638 | S | S | * | * | trans | -61.8 | 99.8 | 173 | -99.5 | 179.7 | 173.9 | 175.7 | 0 | 101.4 | R141 R145 | R141-K143 PolarHBondContact O-N 2.93Å; K143-R145 WeakPolarHBondContact O-CG 3.35Å; K143-R145 PolarHBondContact O-N 3.34Å | ||
| 144 | E | 56.6 | Low | 64.2 | Low | 186 Ų | 186 | 119.9 Ų | 119.9 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | trans | -56.1 | 99.2 | 170.9 | -70.5 | -175.9 | 174.5 | 0 | 0 | 104.1 | R142 | R142-E144 PolarHBondContact O-N 2.8Š| ||
| 145 | R | 60.3 | Low | 67.2 | Low | 188 Ų | 188 | 120.8 Ų | 120.8 | 71% | 0.709 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 130.3 | -179.4 | -57.6 | -174.1 | -162 | -169.6 | 4.3 | 104 | K143 L147 | K143-R145 WeakPolarHBondContact O-CG 3.35Å; K143-R145 PolarHBondContact O-N 3.34Å; R145-L147 PolarHBondContact O-N 3.1Å |
| 146 | P | 63.9 | Low | 69.7 | Low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 139.6 | 177.4 | 20.9 | -31.4 | 0 | 0 | 0 | 108.7 | T148 | P146-T148 WeakPolarHBondContact O-CG2 3.42Å; P146-T148 PolarHBondContact O-N 3.17Å; P146-T148 VanDerWaalsContact O-N 3.11Å |
| 147 | L | 68.4 | Low | 72.3 | Confident | 185 Ų | 185 | 110.6 Ų | 110.6 | 97% | 0.969 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 119.4 | 176 | -63.1 | 177.4 | 0 | 0 | 0 | 107.5 | R145 | R145-L147 PolarHBondContact O-N 3.1Š|
| 148 | T | 82.8 | Confident | 74.7 | Confident | 39 Ų | 39 | 107.8 Ų | 107.8 | 24% | 0.239 | 52% | 0.515 | C | S | . | . | trans | -114.8 | 147.1 | -175.9 | 64.7 | 0 | 0 | 0 | 0 | 109.9 | P146 L150 P263 | P146-T148 WeakPolarHBondContact O-CG2 3.42Å; P146-T148 PolarHBondContact O-N 3.17Å; P146-T148 VanDerWaalsContact O-N 3.11Å; T148-L150 PolarHBondContact O-N 3.49Å; T148-P263 HydrophobicContact CG2-CB 3.35Å; T148-P263 HydrophobicContact CG2-CG 3.43Å; T148-P263 VanDerWaalsContact CG2-CG 3.43Å | ||
| 149 | T | 90.3 | Very high | 77.3 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | trans | -55.8 | 134.3 | 174.8 | -49.2 | 0 | 0 | 0 | 0 | 109.9 | L151 | T149-L151 HydrophobicContact CG2-CD1 3.52Å; T149-L151 WeakPolarHBondContact O-CD1 3.03Å; T149-L151 PolarHBondContact O-N 2.96Å | ||
| 150 | L | 94.8 | Very high | 79.7 | Confident | 37 Ų | 37 | 103.5 Ų | 103.5 | 19% | 0.194 | 49% | 0.492 | C | S | . | . | trans | -75.4 | 105.5 | 175.9 | -57 | 176.5 | 0 | 0 | 0 | 108.2 | T148 S164 I165 V242 L244 F260 | T148-L150 PolarHBondContact O-N 3.49Å; L150-S164 CarbonylContact O-C 3.54Å; L150-S164 VanDerWaalsContact O-CA 3.32Å; L150-S164 WeakPolarHBondContact O-CA 3.27Å; L150-I165 HydrophobicContact CB-CB 4.17Å; L150-I165 HydrophobicContact CB-CG1 4.27Å; L150-I165 PolarHBondContact O-N 3.23Å; L150-V242 HydrophobicContact CD1-CG1 3.77Å; L150-L244 HydrophobicContact CD1-CD2 3.7Å; L150-L244 HydrophobicContact CD2-CD2 3.96Å; L150-L244 HydrophobicContact CG-CD2 4.48Å; L150-F260 HydrophobicContact CB-CD1 4.06Å; L150-F260 HydrophobicContact CB-CE1 4.06Å; L150-F260 HydrophobicContact CD1-CZ 4.4Å; L150-F260 HydrophobicContact CD2-CD2 4.04Å; L150-F260 HydrophobicContact CD2-CE2 4.21Å; L150-F260 HydrophobicContact CD2-CG 4.29Å | ||
| 151 | L | 95.6 | Very high | 82.1 | Confident | 50 Ų | 50 | 95.6 Ų | 95.6 | 26% | 0.262 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 140.3 | 178.9 | -91.8 | 71.6 | 0 | 0 | 0 | 110.7 | T149 K162 A163 F260 M261 | T149-L151 HydrophobicContact CG2-CD1 3.52Å; T149-L151 WeakPolarHBondContact O-CD1 3.03Å; T149-L151 PolarHBondContact O-N 2.96Å; L151-K162 HydrophobicContact CD2-CB 4.23Å; L151-K162 HydrophobicContact CD2-CD 4.32Å; L151-A163 CarbonylContact C-O 3.54Å; L151-A163 WeakPolarHBondContact CA-O 3.34Å; L151-F260 CarbonylContact O-C 3.51Å; L151-F260 VanDerWaalsContact O-CA 3.27Å; L151-F260 WeakPolarHBondContact O-CA 3.35Å; L151-M261 HydrophobicContact CB-CB 4.03Å; L151-M261 HydrophobicContact CB-CG 4.13Å; L151-M261 HydrophobicContact CB-SD 4.21Å; L151-M261 PolarHBondContact O-N 3.03Å |
| 152 | V | 96.6 | Very high | 84.3 | Confident | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 151.8 | 169.6 | -62.6 | 0 | 0 | 0 | 0 | 110.1 | A163 I165 L209 L249 F260 | V152-A163 HydrophobicContact CG2-CB 4.19Å; V152-A163 PolarHBondContact N-O 2.82Å; V152-A163 PolarHBondContact O-N 3.42Å; V152-I165 HydrophobicContact CG2-CD1 3.91Å; V152-L209 HydrophobicContact CG2-CD2 4.48Å; V152-L249 HydrophobicContact CG1-CB 4.08Å; V152-L249 HydrophobicContact CG1-CD2 4.16Å; V152-L249 HydrophobicContact CG2-CD2 4.28Å; V152-F260 HydrophobicContact CG1-CD1 3.59Å; V152-F260 HydrophobicContact CG1-CE1 3.81Å |
| 153 | Q | 95.9 | Very high | 86.4 | Confident | 58 Ų | 58 | 79.8 Ų | 79.8 | 27% | 0.271 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.4 | 170.8 | -164 | 65.7 | 44.1 | 0 | 0 | 109.3 | E160 V161 | Q153-E160 HydrophobicContact CG-CG 3.94Å; Q153-E160 VanDerWaalsContact CG-OE1 3.3Å; Q153-E160 WeakPolarHBondContact CG-OE1 3.19Å; Q153-E160 VanDerWaalsContact NE2-CD 3.31Å; Q153-V161 PolarHBondContact NE2-O 3.02Å |
| 154 | C | 96.2 | Very high | 88.4 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 172.4 | 174.5 | 69 | 0 | 0 | 0 | 0 | 110.3 | E160 V161 L207 Q208 L209 | C154-E160 WeakPolarHBondContact O-CA 3.5Å; C154-V161 PolarHBondContact N-O 3.36Å; C154-V161 PolarHBondContact O-N 2.94Å; C154-V161 PolarHBondContact SG-O 3.21Å; C154-L207 HydrophobicContact CB-CD1 4.14Å; C154-Q208 WeakPolarHBondContact CA-O 3.44Å; C154-Q208 WeakPolarHBondContact CB-O 3.23Å; C154-L209 HydrophobicContact CB-CD1 3.47Å; C154-L209 VanDerWaalsContact CB-CD1 3.47Å; C154-L209 HydrophobicContact CB-CG 4.09Å |
| 155 | K | 96.9 | Very high | 90.3 | Very high | 89 Ų | 89 | 63.3 Ų | 63.3 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 129.6 | 169.7 | -60.1 | 179.3 | 179.2 | -177.4 | 0 | 110 | T159 E160 L207 Q208 | K155-T159 CarbonylContact C-O 3.56Å; K155-T159 VanDerWaalsContact CA-O 3.24Å; K155-T159 WeakPolarHBondContact CA-O 3.3Å; K155-E160 HydrophobicContact CG-CG 4.43Å; K155-L207 CarbonylContact O-C 3.55Å; K155-L207 WeakPolarHBondContact O-CA 3.33Å; K155-Q208 HydrophobicContact CB-CB 4.23Å; K155-Q208 PolarHBondContact N-O 3.48Å; K155-Q208 PolarHBondContact O-N 3.04Å |
| 156 | C | 96.1 | Very high | 92 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 119.3 | 171.2 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | D158 T159 V161 L182 Q206 | C156-D158 VanDerWaalsContact C-N 3.31Å; C156-D158 PolarHBondContact O-N 3.35Å; C156-T159 PolarHBondContact N-O 2.88Å; C156-T159 PolarHBondContact O-N 3.03Å; C156-V161 HydrophobicContact CB-CG2 4.03Å; C156-L182 HydrophobicContact CB-CD1 4Å; C156-Q206 WeakPolarHBondContact CA-O 3.37Å |
| 157 | C | 92.3 | Very high | 93.6 | Very high | 47 Ų | 47 | 56.3 Ų | 56.3 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 50.4 | -176 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | T159 Q206 | C157-T159 PolarHBondContact O-N 3.15Å; C157-T159 PolarHBondContact O-OG1 2.78Å; C157-Q206 PolarHBondContact N-O 2.78Å |
| 158 | D | 92.1 | Very high | 94.9 | Very high | 131 Ų | 131 | 50.8 Ų | 50.8 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 5.3 | -177.9 | -59.2 | -46.3 | 0 | 0 | 0 | 116.7 | C156 | C156-D158 VanDerWaalsContact C-N 3.31Å; C156-D158 PolarHBondContact O-N 3.35Å |
| 159 | T | 95.7 | Very high | 95.5 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.2 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | K155 C156 C157 V161 L182 | K155-T159 CarbonylContact C-O 3.56Å; K155-T159 VanDerWaalsContact CA-O 3.24Å; K155-T159 WeakPolarHBondContact CA-O 3.3Å; C156-T159 PolarHBondContact N-O 2.88Å; C156-T159 PolarHBondContact O-N 3.03Å; C157-T159 PolarHBondContact O-N 3.15Å; C157-T159 PolarHBondContact O-OG1 2.78Å; T159-V161 PolarHBondContact O-N 2.98Å; T159-L182 VanDerWaalsContact CB-CD2 3.42Å; T159-L182 HydrophobicContact CG2-CD2 3.63Å |
| 160 | E | 96.4 | Very high | 95.8 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.1 | 175.8 | -115.2 | -168.1 | -177 | 0 | 0 | 111.9 | Q153 C154 K155 | Q153-E160 HydrophobicContact CG-CG 3.94Å; Q153-E160 VanDerWaalsContact CG-OE1 3.3Å; Q153-E160 WeakPolarHBondContact CG-OE1 3.19Å; Q153-E160 VanDerWaalsContact NE2-CD 3.31Å; C154-E160 WeakPolarHBondContact O-CA 3.5Å; K155-E160 HydrophobicContact CG-CG 4.43Å |
| 161 | V | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.9 | -179.3 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | Q153 C154 C156 T159 L182 E227 L228 | Q153-V161 PolarHBondContact NE2-O 3.02Å; C154-V161 PolarHBondContact N-O 3.36Å; C154-V161 PolarHBondContact O-N 2.94Å; C154-V161 PolarHBondContact SG-O 3.21Å; C156-V161 HydrophobicContact CB-CG2 4.03Å; T159-V161 PolarHBondContact O-N 2.98Å; V161-L182 HydrophobicContact CG2-CD1 4.21Å; V161-L182 HydrophobicContact CG2-CD2 4.1Å; V161-E227 HydrophobicContact CG1-CB 3.69Å; V161-E227 WeakPolarHBondContact CG1-OE2 3.24Å; V161-L228 HydrophobicContact CG1-CB 3.79Å |
| 162 | K | 95.3 | Very high | 96 | Very high | 95 Ų | 95 | 50.8 Ų | 50.8 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 121.3 | 172.7 | -65.7 | -178.7 | -173.3 | -179.2 | 0 | 110 | L151 E227 L228 M261 | L151-K162 HydrophobicContact CD2-CB 4.23Å; L151-K162 HydrophobicContact CD2-CD 4.32Å; K162-E227 PolarHBondContact N-OE2 2.71Å; K162-L228 PolarHBondContact O-N 2.86Å; K162-M261 HydrophobicContact CD-CE 4.22Å; K162-M261 HydrophobicContact CD-SD 3.93Å; K162-M261 HydrophobicContact CG-SD 3.94Å |
| 163 | A | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | L151 V152 L228 L230 | L151-A163 CarbonylContact C-O 3.54Å; L151-A163 WeakPolarHBondContact CA-O 3.34Å; V152-A163 HydrophobicContact CG2-CB 4.19Å; V152-A163 PolarHBondContact N-O 2.82Å; V152-A163 PolarHBondContact O-N 3.42Å; A163-L228 CarbonylContact C-O 3.58Å; A163-L228 WeakPolarHBondContact CA-O 3.09Å; A163-L228 HydrophobicContact CB-CB 4.31Å; A163-L228 HydrophobicContact CB-CD2 4.16Å; A163-L228 HydrophobicContact CB-CG 4.33Å; A163-L230 HydrophobicContact CB-CD1 4.16Å; A163-L230 HydrophobicContact CB-CD2 4.36Å; A163-L230 HydrophobicContact CB-CG 3.98Å |
| 164 | S | 96.5 | Very high | 96 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 5% | 0.049 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 146.2 | 168.1 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | L150 L228 C229 L230 | L150-S164 CarbonylContact O-C 3.54Å; L150-S164 VanDerWaalsContact O-CA 3.32Å; L150-S164 WeakPolarHBondContact O-CA 3.27Å; S164-L228 PolarHBondContact N-O 3.36Å; S164-L228 PolarHBondContact OG-O 2.93Å; S164-C229 CarbonylContact O-C 3.56Å; S164-C229 WeakPolarHBondContact O-CA 3.25Å; S164-C229 WeakPolarHBondContact OG-CA 3.34Å; S164-C229 WeakPolarHBondContact OG-CB 3.34Å; S164-C229 PolarHBondContact OG-SG 2.89Å; S164-L230 PolarHBondContact O-N 3.43Å |
| 165 | I | 97 | Very high | 95.9 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.097 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.8 | 177 | -50.8 | -56.2 | 0 | 0 | 0 | 109.6 | L150 V152 L230 L235 V242 L249 F260 | L150-I165 HydrophobicContact CB-CB 4.17Å; L150-I165 HydrophobicContact CB-CG1 4.27Å; L150-I165 PolarHBondContact O-N 3.23Å; V152-I165 HydrophobicContact CG2-CD1 3.91Å; I165-L230 HydrophobicContact CD1-CB 4.35Å; I165-L230 HydrophobicContact CD1-CD1 3.84Å; I165-L230 HydrophobicContact CD1-CG 4.38Å; I165-L235 HydrophobicContact CD1-CD2 4.21Å; I165-L235 HydrophobicContact CG2-CD1 3.77Å; I165-L235 HydrophobicContact CG2-CD2 4.18Å; I165-V242 HydrophobicContact CG2-CG2 4.02Å; I165-L249 HydrophobicContact CD1-CD2 3.9Å; I165-F260 HydrophobicContact CG1-CE1 4.25Å |
| 166 | N | 95.9 | Very high | 95.8 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 33% | 0.326 | 27% | 0.271 | S | S | . | . | trans | -134.2 | 93.6 | 178.9 | -173.4 | -9.1 | 0 | 0 | 0 | 111.5 | G168 S169 C229 L230 | N166-G168 PolarHBondContact O-N 2.98Å; N166-G168 WeakPolarHBondContact OD1-CA 3.39Å; N166-G168 PolarHBondContact OD1-N 2.61Å; N166-S169 PolarHBondContact O-N 2.67Å; N166-S169 PolarHBondContact OD1-N 3.18Å; N166-C229 WeakPolarHBondContact CB-SG 3.4Å; N166-L230 PolarHBondContact N-O 3.11Å | ||
| 167 | T | 97 | Very high | 95.7 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.4 | 176.3 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | L235 | T167-L235 HydrophobicContact CG2-CD1 4.07Š|
| 168 | G | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 70% | 0.701 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -13.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N166 | N166-G168 PolarHBondContact O-N 2.98Å; N166-G168 WeakPolarHBondContact OD1-CA 3.39Å; N166-G168 PolarHBondContact OD1-N 2.61Å |
| 169 | S | 95.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.098 | 24% | 0.238 | C | C | . | . | trans | -98.4 | 136.9 | 174 | -174.5 | 0 | 0 | 0 | 0 | 110.3 | N166 H171 G231 L232 | N166-S169 PolarHBondContact O-N 2.67Å; N166-S169 PolarHBondContact OD1-N 3.18Å; S169-H171 PolarHBondContact OG-O 3.04Å; S169-G231 CarbonylContact O-C 3.5Å; S169-G231 WeakPolarHBondContact O-CA 3.33Å; S169-L232 WeakPolarHBondContact O-CB 3.24Å; S169-L232 PolarHBondContact O-N 3.23Å | ||
| 170 | Q | 96.6 | Very high | 95.8 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 53% | 0.528 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -71.7 | -45.6 | 175 | -68.4 | -59.2 | -44.1 | 0 | 0 | 112 | L232 Q233 | Q170-L232 PolarHBondContact O-N 3.05Å; Q170-Q233 VanDerWaalsContact O-CB 3.22Å; Q170-Q233 WeakPolarHBondContact O-CB 3.41Å; Q170-Q233 PolarHBondContact O-N 3.37Å |
| 171 | H | 96.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 49 Ų | 49 | 38% | 0.384 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -109.4 | 159.4 | -174.5 | -54.7 | -57.1 | 0 | 0 | 0 | 111.9 | S169 H219 Q233 | S169-H171 PolarHBondContact OG-O 3.04Å; H171-H219 AromaticContact CD2-NE2 3.62Å; H171-H219 AromaticContact CG-NE2 3.75Å; H171-Q233 PolarHBondContact CE1-OE1 3.27Å; H171-Q233 PolarHBondContact ND1-OE1 3.31Å |
| 172 | N | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 153 | 174.6 | -55.5 | -32.4 | 0 | 0 | 0 | 110.7 | C216 S217 A218 H219 C229 L230 G231 T234 | N172-C216 PolarHBondContact ND2-SG 3.05Å; N172-S217 WeakPolarHBondContact CB-O 3.25Å; N172-S217 PolarHBondContact ND2-O 3.41Å; N172-A218 HydrophobicContact CB-CB 3.77Å; N172-A218 WeakPolarHBondContact O-CA 3.5Å; N172-H219 PolarHBondContact O-N 3.25Å; N172-C229 CarbonylContact C-O 3.56Å; N172-C229 WeakPolarHBondContact CA-O 3.47Å; N172-C229 WeakPolarHBondContact CB-O 3.02Å; N172-L230 WeakPolarHBondContact OD1-CA 3.47Å; N172-G231 PolarHBondContact OD1-N 3.3Å; N172-T234 PolarHBondContact ND2-OG1 2.89Å; N172-T234 PolarHBondContact OD1-OG1 3.39Å |
| 173 | R | 96.2 | Very high | 95.5 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 44% | 0.438 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.6 | 171.5 | -61.8 | -178.7 | 179.3 | 164.7 | -0.7 | 109.9 | H219 T221 F226 L228 C229 | R173-H219 CarbonylContact C-O 3.57Å; R173-H219 VanDerWaalsContact CA-O 3.26Å; R173-H219 WeakPolarHBondContact CA-O 3.32Å; R173-T221 HydrophobicContact CB-CG2 4.25Å; R173-F226 HydrophobicContact CB-CE2 3.87Å; R173-F226 HydrophobicContact CB-CZ 4.06Å; R173-L228 CarbonylContact O-C 3.53Å; R173-L228 WeakPolarHBondContact O-CD1 3.39Å; R173-C229 HydrophobicContact CB-CB 4.17Å; R173-C229 PolarHBondContact N-O 3.03Å; R173-C229 PolarHBondContact O-N 3.47Å |
| 174 | I | 96.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 134.9 | 176.9 | -173.5 | 171.7 | 0 | 0 | 0 | 108.7 | C178 C179 L182 L184 A218 H219 V220 T221 L228 | I174-C178 HydrophobicContact CD1-CB 4.33Å; I174-C178 HydrophobicContact CG1-CB 3.92Å; I174-C179 HydrophobicContact CD1-CB 4.32Å; I174-C179 HydrophobicContact CG1-CB 4.47Å; I174-C179 HydrophobicContact CG2-CB 4.5Å; I174-L182 HydrophobicContact CD1-CD1 3.94Å; I174-L184 HydrophobicContact CD1-CD1 3.83Å; I174-A218 HydrophobicContact CB-CB 4.1Å; I174-A218 HydrophobicContact CG2-CB 3.83Å; I174-H219 PolarHBondContact N-O 2.87Å; I174-V220 HydrophobicContact CG2-CG2 4.06Å; I174-V220 CarbonylContact O-C 3.53Å; I174-V220 VanDerWaalsContact O-CA 3.32Å; I174-V220 WeakPolarHBondContact O-CA 3.42Å; I174-T221 PolarHBondContact O-N 2.85Å; I174-L228 HydrophobicContact CB-CD1 4.1Å; I174-L228 HydrophobicContact CG1-CD1 4.43Å |
| 175 | S | 95.3 | Very high | 95 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 151.2 | 177.4 | 69.7 | 0 | 0 | 0 | 0 | 111.1 | S177 C178 C179 T221 D223 F226 E227 | S175-S177 PolarHBondContact O-N 3.49Å; S175-S177 PolarHBondContact OG-OG 2.83Å; S175-C178 PolarHBondContact O-N 2.91Å; S175-C178 VanDerWaalsContact OG-CB 3.23Å; S175-C178 WeakPolarHBondContact OG-CB 3.44Å; S175-C178 PolarHBondContact OG-N 3.46Å; S175-C178 VanDerWaalsContact OG-N 3.09Å; S175-C179 WeakPolarHBondContact O-CB 3.42Å; S175-C179 PolarHBondContact O-N 3.13Å; S175-T221 CarbonylContact C-O 3.55Å; S175-T221 WeakPolarHBondContact CA-O 3.45Å; S175-D223 WeakPolarHBondContact CB-O 3.24Å; S175-F226 VanDerWaalsContact CB-O 3.32Å; S175-F226 WeakPolarHBondContact CB-O 3.44Å; S175-F226 PolarHBondContact OG-O 3.47Å; S175-E227 PolarHBondContact N-O 3.21Å |
| 176 | S | 93.6 | Very high | 94.7 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -36.5 | 177.9 | 73.8 | 0 | 0 | 0 | 0 | 111.6 | R180 T221 | S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 3.4Å; S176-R180 PolarHBondContact OG-NH2 3.18Å; S176-R180 VanDerWaalsContact OG-NH2 3.16Å; S176-T221 PolarHBondContact N-O 2.9Å |
| 177 | S | 93.6 | Very high | 94.4 | Very high | 43 Ų | 43 | 57.9 Ų | 57.9 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 175 | 43.5 | 0 | 0 | 0 | 0 | 112.5 | S175 R180 R181 E224 | S175-S177 PolarHBondContact O-N 3.49Å; S175-S177 PolarHBondContact OG-OG 2.83Å; S177-R180 PolarHBondContact O-N 3.49Å; S177-R181 WeakPolarHBondContact O-CB 3.48Å; S177-R181 PolarHBondContact O-N 2.87Å; S177-E224 WeakPolarHBondContact CB-OE1 3.17Å; S177-E224 PolarHBondContact OG-OE1 3.01Å |
| 178 | C | 95.1 | Very high | 93.7 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.9 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | I174 S175 R180 R181 L182 E227 | I174-C178 HydrophobicContact CD1-CB 4.33Å; I174-C178 HydrophobicContact CG1-CB 3.92Å; S175-C178 PolarHBondContact O-N 2.91Å; S175-C178 VanDerWaalsContact OG-CB 3.23Å; S175-C178 WeakPolarHBondContact OG-CB 3.44Å; S175-C178 PolarHBondContact OG-N 3.46Å; S175-C178 VanDerWaalsContact OG-N 3.09Å; C178-R180 PolarHBondContact O-N 3.38Å; C178-R181 PolarHBondContact O-N 3.46Å; C178-L182 WeakPolarHBondContact O-CB 3.43Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.19Å; C178-L182 PolarHBondContact O-N 3.46Å; C178-E227 HydrophobicContact CB-CB 4.11Å; C178-E227 WeakPolarHBondContact CB-O 3.43Å |
| 179 | C | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.9 | -49.2 | 176 | -170.9 | 0 | 0 | 0 | 0 | 111.5 | I174 S175 L182 G183 L184 | I174-C179 HydrophobicContact CD1-CB 4.32Å; I174-C179 HydrophobicContact CG1-CB 4.47Å; I174-C179 HydrophobicContact CG2-CB 4.5Å; S175-C179 WeakPolarHBondContact O-CB 3.42Å; S175-C179 PolarHBondContact O-N 3.13Å; C179-L182 PolarHBondContact O-N 3.28Å; C179-G183 PolarHBondContact O-N 3.35Å; C179-L184 PolarHBondContact O-N 2.9Å; C179-L184 PolarHBondContact SG-O 3.5Å |
| 180 | R | 93.3 | Very high | 90.8 | Very high | 167 Ų | 167 | 62.1 Ų | 62.1 | 63% | 0.63 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 175.7 | -74 | -174.1 | -67.8 | -97.4 | -2.8 | 112.2 | S176 S177 C178 L182 G183 | S176-R180 WeakPolarHBondContact O-CG 3.46Å; S176-R180 PolarHBondContact O-N 3.4Å; S176-R180 PolarHBondContact OG-NH2 3.18Å; S176-R180 VanDerWaalsContact OG-NH2 3.16Å; S177-R180 PolarHBondContact O-N 3.49Å; C178-R180 PolarHBondContact O-N 3.38Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.76Å; R180-G183 PolarHBondContact O-N 2.84Å |
| 181 | R | 94.7 | Very high | 89.1 | Confident | 131 Ų | 131 | 60.9 Ų | 60.9 | 49% | 0.494 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 179.2 | -176.6 | 178 | 65.7 | 176.8 | 0.8 | 112.4 | S177 C178 G183 E227 | S177-R181 WeakPolarHBondContact O-CB 3.48Å; S177-R181 PolarHBondContact O-N 2.87Å; C178-R181 PolarHBondContact O-N 3.46Å; R181-G183 VanDerWaalsContact C-N 3.25Å; R181-G183 PolarHBondContact O-N 2.92Å; R181-E227 IonicContact CZ-OE1 3.83Å; R181-E227 VanDerWaalsContact CZ-OE1 3.29Å; R181-E227 IonicContact CZ-OE2 2.84Å; R181-E227 IonicContact NH1-OE1 2.97Å; R181-E227 PolarHBondContact NH1-OE1 3.29Å; R181-E227 IonicContact NH2-OE1 3.99Å; R181-E227 PolarHBondContact NH2-OE1 3.45Å; R181-E227 IonicContact NH2-OE2 3.47Å; R181-E227 PolarHBondContact NH2-OE2 3.01Å |
| 182 | L | 94.1 | Very high | 87.4 | Confident | 23 Ų | 23 | 62.1 Ų | 62.1 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 0.2 | 177.6 | -64.2 | 178.1 | 0 | 0 | 0 | 113.4 | C156 T159 V161 I174 C178 C179 R180 L184 | C156-L182 HydrophobicContact CB-CD1 4Å; T159-L182 VanDerWaalsContact CB-CD2 3.42Å; T159-L182 HydrophobicContact CG2-CD2 3.63Å; V161-L182 HydrophobicContact CG2-CD1 4.21Å; V161-L182 HydrophobicContact CG2-CD2 4.1Å; I174-L182 HydrophobicContact CD1-CD1 3.94Å; C178-L182 WeakPolarHBondContact O-CB 3.43Å; C178-L182 VanDerWaalsContact O-CG 3.26Å; C178-L182 WeakPolarHBondContact O-CG 3.19Å; C178-L182 PolarHBondContact O-N 3.46Å; C179-L182 PolarHBondContact O-N 3.28Å; R180-L182 VanDerWaalsContact C-N 3.27Å; R180-L182 PolarHBondContact O-N 2.76Å; L182-L184 HydrophobicContact CB-CD1 3.72Å; L182-L184 HydrophobicContact CB-CG 3.69Å; L182-L184 HydrophobicContact CD1-CD1 3.76Å; L182-L184 HydrophobicContact CG-CD1 4.4Å; L182-L184 PolarHBondContact O-N 3.31Å |
| 183 | G | 92.8 | Very high | 85.5 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 22.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C179 R180 R181 | C179-G183 PolarHBondContact O-N 3.35Å; R180-G183 PolarHBondContact O-N 2.84Å; R181-G183 VanDerWaalsContact C-N 3.25Å; R181-G183 PolarHBondContact O-N 2.92Å |
| 184 | L | 92.1 | Very high | 83.7 | Confident | 30 Ų | 30 | 70.1 Ų | 70.1 | 16% | 0.157 | 40% | 0.4 | C | S | . | . | trans | -83 | 135.8 | -177.3 | -62.4 | 169.8 | 0 | 0 | 0 | 110.5 | I174 C179 L182 P186 V202 L205 | I174-L184 HydrophobicContact CD1-CD1 3.83Å; C179-L184 PolarHBondContact O-N 2.9Å; C179-L184 PolarHBondContact SG-O 3.5Å; L182-L184 HydrophobicContact CB-CD1 3.72Å; L182-L184 HydrophobicContact CB-CG 3.69Å; L182-L184 HydrophobicContact CD1-CD1 3.76Å; L182-L184 HydrophobicContact CG-CD1 4.4Å; L182-L184 PolarHBondContact O-N 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.38Å; L184-V202 HydrophobicContact CB-CG1 4.15Å; L184-V202 HydrophobicContact CB-CG2 4.25Å; L184-V202 HydrophobicContact CD1-CG1 4.38Å; L184-V202 HydrophobicContact CD2-CG1 4.19Å; L184-V202 HydrophobicContact CG-CG1 4.46Å; L184-L205 HydrophobicContact CD1-CD2 3.49Å; L184-L205 VanDerWaalsContact CD1-CD2 3.49Å; L184-L205 HydrophobicContact CD2-CD2 3.77Å; L184-L205 HydrophobicContact CG-CD2 4.24Å | ||
| 185 | V | 90.4 | Very high | 82 | Confident | 119 Ų | 119 | 75 Ų | 75 | 72% | 0.721 | 42% | 0.423 | S | S | * | . | trans | -102.1 | 108.6 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 186 | P | 91.2 | Very high | 80.3 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 136 | 175.9 | 25 | -30 | 0 | 0 | 0 | 110.7 | L184 V202 V220 | L184-P186 WeakPolarHBondContact O-CD 3.38Å; P186-V202 HydrophobicContact CB-CG2 4.21Å; P186-V220 HydrophobicContact CB-CG2 3.75Å; P186-V220 HydrophobicContact CG-CG2 4.37Å |
| 187 | T | 89.2 | Confident | 78.6 | Confident | 78 Ų | 78 | 86.3 Ų | 86.3 | 48% | 0.479 | 48% | 0.48 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 124.7 | 170.9 | -54.7 | 0 | 0 | 0 | 0 | 108.2 | S201 | T187-S201 PolarHBondContact N-O 3.24Å; T187-S201 PolarHBondContact O-N 3.31Å |
| 188 | Q | 82.1 | Confident | 77.1 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 32% | 0.322 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 123.4 | 167.9 | -85.1 | -175.7 | 18.7 | 0 | 0 | 109.6 | T196 Q199 | Q188-T196 PolarHBondContact NE2-O 2.89Å; Q188-Q199 WeakPolarHBondContact CG-O 3.31Å; Q188-Q199 PolarHBondContact NE2-O 3.19Å |
| 189 | E | 65.1 | Low | 76.1 | Confident | 140 Ų | 140 | 91.4 Ų | 91.4 | 65% | 0.654 | 51% | 0.507 | S | S | * | . | trans | -96.1 | 98.5 | 169.3 | -68.2 | -178.3 | -163.4 | 0 | 0 | 107.3 | R203 | E189-R203 IonicContact OE1-CZ 3.21Å; E189-R203 IonicContact OE1-NE 3.56Å; E189-R203 PolarHBondContact OE1-NE 3.48Å; E189-R203 IonicContact OE1-NH2 2.71Å; E189-R203 PolarHBondContact OE1-NH2 2.98Å; E189-R203 IonicContact OE2-NH2 3.54Å | ||
| 190 | G | 65.9 | Low | 75.8 | Confident | 47 Ų | 47 | 92.1 Ų | 92.1 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | S | Bend | trans | 163.8 | 163 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 191 | P | 61.8 | Low | 75.8 | Confident | 87 Ų | 87 | 84.5 Ų | 84.5 | 57% | 0.565 | 49% | 0.487 | S | S | * | . | trans | -65.5 | 148.4 | 178.1 | 26 | -31.8 | 0 | 0 | 0 | 111.9 | C193 | P191-C193 PolarHBondContact O-N 3.3Š| ||
| 192 | P | 61.1 | Low | 75.8 | Confident | 109 Ų | 109 | 78.5 Ų | 78.5 | 71% | 0.708 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -59.4 | -13.8 | -175.2 | -24.4 | 33.1 | 0 | 0 | 0 | 116.5 | Q195 | P192-Q195 WeakPolarHBondContact O-CG 3.41Š|
| 193 | C | 57.7 | Low | 75.8 | Confident | 124 Ų | 124 | 83.1 Ų | 83.1 | 84% | 0.838 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -83.1 | -13.7 | -169.4 | -161.6 | 0 | 0 | 0 | 0 | 114.1 | P191 | P191-C193 PolarHBondContact O-N 3.3Š|
| 194 | E | 59.1 | Low | 75.8 | Confident | 162 Ų | 162 | 82 Ų | 82 | 76% | 0.757 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -122.4 | 17.1 | -176.6 | -61.7 | -175 | 156.6 | 0 | 0 | 112.5 | T196 | E194-T196 PolarHBondContact O-N 3.16Š|
| 195 | Q | 60.3 | Low | 76 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | trans | -71 | 100.6 | -176.5 | -59.5 | -166.9 | -27.5 | 0 | 0 | 109.9 | P192 | P192-Q195 WeakPolarHBondContact O-CG 3.41Š| ||
| 196 | T | 58.9 | Low | 76.3 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 48% | 0.479 | 45% | 0.454 | S | S | . | . | trans | -79.9 | 124.4 | 166.6 | -53.3 | 0 | 0 | 0 | 0 | 107.7 | Q188 E194 G198 Q199 | Q188-T196 PolarHBondContact NE2-O 2.89Å; E194-T196 PolarHBondContact O-N 3.16Å; T196-G198 PolarHBondContact O-N 3.38Å; T196-Q199 PolarHBondContact O-N 3.48Å | ||
| 197 | E | 59 | Low | 76.5 | Confident | 177 Ų | 177 | 77.8 Ų | 77.8 | 83% | 0.827 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.5 | 173.7 | -60.7 | -167.9 | 141.4 | 0 | 0 | 109 | ||
| 198 | G | 61 | Low | 76.9 | Confident | 32 Ų | 32 | 76.8 Ų | 76.8 | 33% | 0.33 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | T196 V220 | T196-G198 PolarHBondContact O-N 3.38Å; G198-V220 WeakPolarHBondContact O-CG1 3.38Å |
| 199 | Q | 74.5 | Confident | 77.5 | Confident | 121 Ų | 121 | 73.5 Ų | 73.5 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | trans | -94.7 | 137.2 | 172.3 | -69.8 | -172.4 | -16.4 | 0 | 0 | 111.6 | Q188 T196 | Q188-Q199 WeakPolarHBondContact CG-O 3.31Å; Q188-Q199 PolarHBondContact NE2-O 3.19Å; T196-Q199 PolarHBondContact O-N 3.48Å | ||
| 200 | G | 88.5 | Confident | 78.8 | Confident | 18 Ų | 18 | 68 Ų | 68 | 19% | 0.186 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V220 | G200-V220 PolarHBondContact O-N 3.49Å |
| 201 | S | 93.3 | Very high | 80 | Confident | 7 Ų | 7 | 73.8 Ų | 73.8 | 5% | 0.049 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.9 | 172.4 | 72.1 | 0 | 0 | 0 | 0 | 110.9 | T187 A218 | T187-S201 PolarHBondContact N-O 3.24Å; T187-S201 PolarHBondContact O-N 3.31Å; S201-A218 CarbonylContact C-O 3.54Å; S201-A218 WeakPolarHBondContact CA-O 3.47Å |
| 202 | V | 94.9 | Very high | 81.6 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125 | 170.5 | -171.5 | 0 | 0 | 0 | 0 | 107.5 | L184 P186 L205 S217 A218 V220 | L184-V202 HydrophobicContact CB-CG1 4.15Å; L184-V202 HydrophobicContact CB-CG2 4.25Å; L184-V202 HydrophobicContact CD1-CG1 4.38Å; L184-V202 HydrophobicContact CD2-CG1 4.19Å; L184-V202 HydrophobicContact CG-CG1 4.46Å; P186-V202 HydrophobicContact CB-CG2 4.21Å; V202-L205 HydrophobicContact CB-CD1 4.28Å; V202-L205 HydrophobicContact CB-CD2 4.15Å; V202-L205 HydrophobicContact CB-CG 4.26Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 HydrophobicContact CG1-CD2 3.51Å; V202-L205 HydrophobicContact CG1-CG 3.93Å; V202-S217 CarbonylContact O-C 3.55Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; V202-S217 WeakPolarHBondContact O-CB 3.39Å; V202-A218 PolarHBondContact N-O 2.97Å; V202-A218 PolarHBondContact O-N 3.09Å; V202-V220 HydrophobicContact CG2-CG2 4.05Å |
| 203 | R | 93.9 | Very high | 83.2 | Confident | 120 Ų | 120 | 69.3 Ų | 69.3 | 45% | 0.453 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 157.2 | 177.2 | -58.3 | -64.3 | -171.4 | -164.2 | -0.7 | 110.1 | E189 L205 S217 | E189-R203 IonicContact OE1-CZ 3.21Å; E189-R203 IonicContact OE1-NE 3.56Å; E189-R203 PolarHBondContact OE1-NE 3.48Å; E189-R203 IonicContact OE1-NH2 2.71Å; E189-R203 PolarHBondContact OE1-NH2 2.98Å; E189-R203 IonicContact OE2-NH2 3.54Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.44Å; R203-S217 PolarHBondContact NH1-OG 3.22Å |
| 204 | G | 92.1 | Very high | 85 | Confident | 40 Ų | 40 | 64 Ų | 64 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | 23.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q206 C216 | G204-Q206 PolarHBondContact O-N 3.38Å; G204-C216 PolarHBondContact N-O 3.24Å |
| 205 | L | 95.1 | Very high | 86.8 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 121.2 | 176.6 | -66.8 | 172.8 | 0 | 0 | 0 | 110.2 | L184 V202 R203 L207 Q215 C216 A218 | L184-L205 HydrophobicContact CD1-CD2 3.49Å; L184-L205 VanDerWaalsContact CD1-CD2 3.49Å; L184-L205 HydrophobicContact CD2-CD2 3.77Å; L184-L205 HydrophobicContact CG-CD2 4.24Å; V202-L205 HydrophobicContact CB-CD1 4.28Å; V202-L205 HydrophobicContact CB-CD2 4.15Å; V202-L205 HydrophobicContact CB-CG 4.26Å; V202-L205 HydrophobicContact CG1-CD1 4.47Å; V202-L205 HydrophobicContact CG1-CD2 3.51Å; V202-L205 HydrophobicContact CG1-CG 3.93Å; R203-L205 VanDerWaalsContact C-N 3.31Å; R203-L205 PolarHBondContact O-N 3.44Å; L205-L207 PolarHBondContact O-N 2.95Å; L205-Q215 CarbonylContact O-C 3.57Å; L205-Q215 WeakPolarHBondContact O-CA 3.39Å; L205-C216 WeakPolarHBondContact CB-O 3.48Å; L205-C216 PolarHBondContact N-O 2.79Å; L205-C216 PolarHBondContact O-N 2.99Å; L205-A218 HydrophobicContact CD1-CB 3.48Å; L205-A218 VanDerWaalsContact CD1-CB 3.48Å |
| 206 | Q | 96.7 | Very high | 88.5 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 51% | 0.514 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 100.8 | 173 | -172.1 | 170.9 | -2.1 | 0 | 0 | 109.1 | C156 C157 G204 | C156-Q206 WeakPolarHBondContact CA-O 3.37Å; C157-Q206 PolarHBondContact N-O 2.78Å; G204-Q206 PolarHBondContact O-N 3.38Å |
| 207 | L | 97 | Very high | 90.3 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.2 | 179 | -178.4 | 71.6 | 0 | 0 | 0 | 109.3 | C154 K155 L205 L209 S213 V214 L228 L230 T234 | C154-L207 HydrophobicContact CB-CD1 4.14Å; K155-L207 CarbonylContact O-C 3.55Å; K155-L207 WeakPolarHBondContact O-CA 3.33Å; L205-L207 PolarHBondContact O-N 2.95Å; L207-L209 HydrophobicContact CD1-CD1 4.07Å; L207-L209 HydrophobicContact CD2-CD1 3.78Å; L207-L209 HydrophobicContact CG-CD1 3.79Å; L207-S213 CarbonylContact O-C 3.55Å; L207-S213 VanDerWaalsContact O-CA 3.3Å; L207-S213 WeakPolarHBondContact O-CA 3.3Å; L207-V214 HydrophobicContact CB-CG1 3.99Å; L207-V214 HydrophobicContact CD2-CG1 4.17Å; L207-V214 HydrophobicContact CG-CG1 4.44Å; L207-V214 PolarHBondContact N-O 2.88Å; L207-V214 PolarHBondContact O-N 2.81Å; L207-L228 HydrophobicContact CD1-CD2 3.79Å; L207-L230 HydrophobicContact CD2-CD2 3.59Å; L207-T234 HydrophobicContact CD2-CG2 3.89Å |
| 208 | Q | 96.5 | Very high | 92.1 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 26% | 0.262 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 120.8 | 173.1 | -179.2 | -178 | -7.2 | 0 | 0 | 110.3 | C154 K155 G210 Q212 | C154-Q208 WeakPolarHBondContact CA-O 3.44Å; C154-Q208 WeakPolarHBondContact CB-O 3.23Å; K155-Q208 HydrophobicContact CB-CB 4.23Å; K155-Q208 PolarHBondContact N-O 3.48Å; K155-Q208 PolarHBondContact O-N 3.04Å; Q208-G210 WeakPolarHBondContact CG-O 3.45Å; Q208-G210 PolarHBondContact NE2-O 2.99Å; Q208-Q212 CarbonylContact C-O 3.53Å; Q208-Q212 VanDerWaalsContact CA-O 3.24Å; Q208-Q212 WeakPolarHBondContact CA-O 3.48Å; Q208-Q212 WeakPolarHBondContact CG-O 3.37Å |
| 209 | L | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 116 | 170.3 | -102.2 | 78.6 | 0 | 0 | 0 | 108.1 | V152 C154 L207 R211 Q212 L230 L238 L249 L251 L258 | V152-L209 HydrophobicContact CG2-CD2 4.48Å; C154-L209 HydrophobicContact CB-CD1 3.47Å; C154-L209 VanDerWaalsContact CB-CD1 3.47Å; C154-L209 HydrophobicContact CB-CG 4.09Å; L207-L209 HydrophobicContact CD1-CD1 4.07Å; L207-L209 HydrophobicContact CD2-CD1 3.78Å; L207-L209 HydrophobicContact CG-CD1 3.79Å; L209-R211 PolarHBondContact O-N 3.3Å; L209-Q212 PolarHBondContact N-O 3.06Å; L209-Q212 PolarHBondContact O-N 3.5Å; L209-L230 HydrophobicContact CD1-CD1 4.01Å; L209-L230 HydrophobicContact CD2-CD1 4.04Å; L209-L238 HydrophobicContact CB-CD1 4.4Å; L209-L238 HydrophobicContact CD1-CD1 4.49Å; L209-L238 HydrophobicContact CD2-CD1 4.31Å; L209-L249 HydrophobicContact CD2-CD2 3.58Å; L209-L251 HydrophobicContact CB-CD1 4.03Å; L209-L251 HydrophobicContact CB-CD2 4.26Å; L209-L251 HydrophobicContact CD2-CD2 4.07Å; L209-L251 WeakPolarHBondContact O-CD1 3.36Å; L209-L258 HydrophobicContact CB-CD1 4.04Å; L209-L258 HydrophobicContact CD2-CD1 4.05Å; L209-L258 HydrophobicContact CG-CD1 3.99Å |
| 210 | G | 92.3 | Very high | 94.8 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 27% | 0.268 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | -122.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q208 | Q208-G210 WeakPolarHBondContact CG-O 3.45Å; Q208-G210 PolarHBondContact NE2-O 2.99Å |
| 211 | R | 91.8 | Very high | 95 | Very high | 168 Ų | 168 | 45.7 Ų | 45.7 | 63% | 0.634 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -7.3 | 173.6 | -61.9 | -178.2 | -57.4 | -101.6 | 11.2 | 114.1 | L209 S254 E256 | L209-R211 PolarHBondContact O-N 3.3Å; R211-S254 PolarHBondContact NH2-O 2.83Å; R211-S254 VanDerWaalsContact NH2-O 3.15Å; R211-E256 VanDerWaalsContact CB-OE2 3.23Å; R211-E256 WeakPolarHBondContact CB-OE2 3.16Å; R211-E256 WeakPolarHBondContact CG-OE1 3.21Å; R211-E256 WeakPolarHBondContact CG-OE2 3.46Å; R211-E256 IonicContact CZ-OE1 2.98Å; R211-E256 IonicContact CZ-OE2 2.67Å; R211-E256 PolarHBondContact N-OE2 3.42Å; R211-E256 IonicContact NE-OE1 3.78Å; R211-E256 IonicContact NE-OE2 3.98Å; R211-E256 VanDerWaalsContact NH1-CG 3.33Å; R211-E256 IonicContact NH1-OE1 3.55Å; R211-E256 PolarHBondContact NH1-OE1 3.31Å; R211-E256 IonicContact NH1-OE2 3.57Å; R211-E256 VanDerWaalsContact NH2-CG 3.31Å |
| 212 | Q | 93.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 51.4 Ų | 51.4 | 15% | 0.145 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 139 | 179 | -69.1 | -174.6 | 34.4 | 0 | 0 | 111.1 | Q208 L209 L238 L251 S254 | Q208-Q212 CarbonylContact C-O 3.53Å; Q208-Q212 VanDerWaalsContact CA-O 3.24Å; Q208-Q212 WeakPolarHBondContact CA-O 3.48Å; Q208-Q212 WeakPolarHBondContact CG-O 3.37Å; L209-Q212 PolarHBondContact N-O 3.06Å; L209-Q212 PolarHBondContact O-N 3.5Å; Q212-L238 HydrophobicContact CB-CD2 4.09Å; Q212-L238 PolarHBondContact OE1-O 3.16Å; Q212-L251 PolarHBondContact NE2-O 2.83Å; Q212-S254 PolarHBondContact NE2-OG 2.76Å |
| 213 | S | 94.7 | Very high | 94.1 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.7 | 175.4 | -62 | 0 | 0 | 0 | 0 | 109.9 | L207 | L207-S213 CarbonylContact O-C 3.55Å; L207-S213 VanDerWaalsContact O-CA 3.3Å; L207-S213 WeakPolarHBondContact O-CA 3.3Å |
| 214 | V | 95.6 | Very high | 93.4 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.6 | 179.4 | 64.6 | 0 | 0 | 0 | 0 | 109.8 | L207 T234 E237 L238 | L207-V214 HydrophobicContact CB-CG1 3.99Å; L207-V214 HydrophobicContact CD2-CG1 4.17Å; L207-V214 HydrophobicContact CG-CG1 4.44Å; L207-V214 PolarHBondContact N-O 2.88Å; L207-V214 PolarHBondContact O-N 2.81Å; V214-T234 HydrophobicContact CG1-CG2 3.99Å; V214-E237 HydrophobicContact CG2-CB 4.49Å; V214-E237 HydrophobicContact CG2-CG 3.75Å; V214-E237 VanDerWaalsContact CG2-OE1 3.26Å; V214-E237 WeakPolarHBondContact CG2-OE1 3.16Å; V214-E237 WeakPolarHBondContact CG2-OE2 3.38Å; V214-L238 HydrophobicContact CB-CD2 3.74Å; V214-L238 HydrophobicContact CB-CG 4.25Å; V214-L238 HydrophobicContact CG1-CD1 3.91Å; V214-L238 HydrophobicContact CG1-CD2 3.78Å; V214-L238 HydrophobicContact CG1-CG 3.93Å |
| 215 | Q | 97.3 | Very high | 93 | Very high | 144 Ų | 144 | 58.7 Ų | 58.7 | 67% | 0.673 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.1 | 172.5 | -167.5 | 177.6 | 17.8 | 0 | 0 | 109 | L205 | L205-Q215 CarbonylContact O-C 3.57Å; L205-Q215 WeakPolarHBondContact O-CA 3.39Å |
| 216 | C | 96.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 60.3 Ų | 60.3 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | -177.8 | -173.9 | 65.9 | 0 | 0 | 0 | 0 | 112.3 | N172 G204 L205 T234 | N172-C216 PolarHBondContact ND2-SG 3.05Å; G204-C216 PolarHBondContact N-O 3.24Å; L205-C216 WeakPolarHBondContact CB-O 3.48Å; L205-C216 PolarHBondContact N-O 2.79Å; L205-C216 PolarHBondContact O-N 2.99Å; C216-T234 HydrophobicContact CB-CG2 4.43Å |
| 217 | S | 96.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 156.1 | 171.9 | 64.3 | 0 | 0 | 0 | 0 | 110.6 | N172 V202 R203 | N172-S217 WeakPolarHBondContact CB-O 3.25Å; N172-S217 PolarHBondContact ND2-O 3.41Å; V202-S217 CarbonylContact O-C 3.55Å; V202-S217 WeakPolarHBondContact O-CA 3.49Å; V202-S217 WeakPolarHBondContact O-CB 3.39Å; R203-S217 PolarHBondContact NH1-OG 3.22Å |
| 218 | A | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N172 I174 S201 V202 L205 | N172-A218 HydrophobicContact CB-CB 3.77Å; N172-A218 WeakPolarHBondContact O-CA 3.5Å; I174-A218 HydrophobicContact CB-CB 4.1Å; I174-A218 HydrophobicContact CG2-CB 3.83Å; S201-A218 CarbonylContact C-O 3.54Å; S201-A218 WeakPolarHBondContact CA-O 3.47Å; V202-A218 PolarHBondContact N-O 2.97Å; V202-A218 PolarHBondContact O-N 3.09Å; L205-A218 HydrophobicContact CD1-CB 3.48Å; L205-A218 VanDerWaalsContact CD1-CB 3.48Å |
| 219 | H | 95.8 | Very high | 92.4 | Very high | 73 Ų | 73 | 55.4 Ų | 55.4 | 34% | 0.338 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 135 | 171 | -64.6 | -88.6 | 0 | 0 | 0 | 110.1 | H171 N172 R173 I174 | H171-H219 AromaticContact CD2-NE2 3.62Å; H171-H219 AromaticContact CG-NE2 3.75Å; N172-H219 PolarHBondContact O-N 3.25Å; R173-H219 CarbonylContact C-O 3.57Å; R173-H219 VanDerWaalsContact CA-O 3.26Å; R173-H219 WeakPolarHBondContact CA-O 3.32Å; I174-H219 PolarHBondContact N-O 2.87Å |
| 220 | V | 95.4 | Very high | 92.5 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.8 | 175.4 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | I174 P186 G198 G200 V202 | I174-V220 HydrophobicContact CG2-CG2 4.06Å; I174-V220 CarbonylContact O-C 3.53Å; I174-V220 VanDerWaalsContact O-CA 3.32Å; I174-V220 WeakPolarHBondContact O-CA 3.42Å; P186-V220 HydrophobicContact CB-CG2 3.75Å; P186-V220 HydrophobicContact CG-CG2 4.37Å; G198-V220 WeakPolarHBondContact O-CG1 3.38Å; G200-V220 PolarHBondContact O-N 3.49Å; V202-V220 HydrophobicContact CG2-CG2 4.05Å |
| 221 | T | 92.8 | Very high | 92.8 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 149.2 | 175.6 | -178 | 0 | 0 | 0 | 0 | 110.5 | R173 I174 S175 S176 D223 F226 | R173-T221 HydrophobicContact CB-CG2 4.25Å; I174-T221 PolarHBondContact O-N 2.85Å; S175-T221 CarbonylContact C-O 3.55Å; S175-T221 WeakPolarHBondContact CA-O 3.45Å; S176-T221 PolarHBondContact N-O 2.9Å; T221-D223 VanDerWaalsContact C-N 3.28Å; T221-D223 HydrophobicContact CG2-CB 4.34Å; T221-D223 PolarHBondContact OG1-N 2.77Å; T221-F226 HydrophobicContact CG2-CE2 4.02Å; T221-F226 HydrophobicContact CG2-CZ 3.91Å |
| 222 | E | 89.3 | Confident | 93.1 | Very high | 128 Ų | 128 | 48 Ų | 48 | 60% | 0.598 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -81.5 | -10.6 | 174.1 | -63.6 | -175.4 | 164.4 | 0 | 0 | 113 | E224 | E222-E224 PolarHBondContact O-N 2.9Š|
| 223 | D | 80.2 | Confident | 93.2 | Very high | 74 Ų | 74 | 51 Ų | 51 | 40% | 0.396 | 27% | 0.265 | S | S | . | . | trans | -65.3 | 120.8 | 176.7 | -172.9 | 1.7 | 0 | 0 | 0 | 110.7 | S175 T221 V225 | S175-D223 WeakPolarHBondContact CB-O 3.24Å; T221-D223 VanDerWaalsContact C-N 3.28Å; T221-D223 HydrophobicContact CG2-CB 4.34Å; T221-D223 PolarHBondContact OG1-N 2.77Å; D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.23Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.4Å; D223-V225 PolarHBondContact OD1-N 3.37Å | ||
| 224 | E | 80.3 | Confident | 93.4 | Very high | 131 Ų | 131 | 47.8 Ų | 47.8 | 61% | 0.612 | 24% | 0.243 | S | C | * | . | trans | -95.9 | 9.7 | 179.4 | -57.3 | -148.8 | 132.3 | 0 | 0 | 113.3 | S177 E222 F226 | S177-E224 WeakPolarHBondContact CB-OE1 3.17Å; S177-E224 PolarHBondContact OG-OE1 3.01Å; E222-E224 PolarHBondContact O-N 2.9Å; E224-F226 PolarHBondContact O-N 2.75Å | ||
| 225 | V | 82.9 | Confident | 93.4 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 69% | 0.691 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -61.7 | -26.2 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 112.3 | D223 | D223-V225 VanDerWaalsContact OD1-CB 3.27Å; D223-V225 WeakPolarHBondContact OD1-CB 3.23Å; D223-V225 WeakPolarHBondContact OD1-CG2 3.4Å; D223-V225 PolarHBondContact OD1-N 3.37Å |
| 226 | F | 85.6 | Confident | 93.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 17% | 0.167 | 24% | 0.238 | C | C | . | . | trans | -142.4 | 156.1 | 178.6 | 54.6 | -92.8 | 0 | 0 | 0 | 111.3 | R173 S175 T221 E224 C229 | R173-F226 HydrophobicContact CB-CE2 3.87Å; R173-F226 HydrophobicContact CB-CZ 4.06Å; S175-F226 VanDerWaalsContact CB-O 3.32Å; S175-F226 WeakPolarHBondContact CB-O 3.44Å; S175-F226 PolarHBondContact OG-O 3.47Å; T221-F226 HydrophobicContact CG2-CE2 4.02Å; T221-F226 HydrophobicContact CG2-CZ 3.91Å; E224-F226 PolarHBondContact O-N 2.75Å; F226-C229 HydrophobicContact CD2-CB 3.7Å; F226-C229 HydrophobicContact CE2-CB 3.52Å; F226-C229 HydrophobicContact CG-CB 4.31Å; F226-C229 HydrophobicContact CZ-CB 4Å | ||
| 227 | E | 93.7 | Very high | 93.4 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -79.9 | -50.8 | 172.3 | -56.8 | -173.7 | 147 | 0 | 0 | 110.6 | V161 K162 S175 C178 R181 | V161-E227 HydrophobicContact CG1-CB 3.69Å; V161-E227 WeakPolarHBondContact CG1-OE2 3.24Å; K162-E227 PolarHBondContact N-OE2 2.71Å; S175-E227 PolarHBondContact N-O 3.21Å; C178-E227 HydrophobicContact CB-CB 4.11Å; C178-E227 WeakPolarHBondContact CB-O 3.43Å; R181-E227 IonicContact CZ-OE1 3.83Å; R181-E227 VanDerWaalsContact CZ-OE1 3.29Å; R181-E227 IonicContact CZ-OE2 2.84Å; R181-E227 IonicContact NH1-OE1 2.97Å; R181-E227 PolarHBondContact NH1-OE1 3.29Å; R181-E227 IonicContact NH2-OE1 3.99Å; R181-E227 PolarHBondContact NH2-OE1 3.45Å; R181-E227 IonicContact NH2-OE2 3.47Å; R181-E227 PolarHBondContact NH2-OE2 3.01Å |
| 228 | L | 96.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 146.8 | 177.2 | -178.2 | 66.4 | 0 | 0 | 0 | 110 | V161 K162 A163 S164 R173 I174 L207 L230 | V161-L228 HydrophobicContact CG1-CB 3.79Å; K162-L228 PolarHBondContact O-N 2.86Å; A163-L228 CarbonylContact C-O 3.58Å; A163-L228 WeakPolarHBondContact CA-O 3.09Å; A163-L228 HydrophobicContact CB-CB 4.31Å; A163-L228 HydrophobicContact CB-CD2 4.16Å; A163-L228 HydrophobicContact CB-CG 4.33Å; S164-L228 PolarHBondContact N-O 3.36Å; S164-L228 PolarHBondContact OG-O 2.93Å; R173-L228 CarbonylContact O-C 3.53Å; R173-L228 WeakPolarHBondContact O-CD1 3.39Å; I174-L228 HydrophobicContact CB-CD1 4.1Å; I174-L228 HydrophobicContact CG1-CD1 4.43Å; L207-L228 HydrophobicContact CD1-CD2 3.79Å; L228-L230 HydrophobicContact CD2-CD2 3.94Å; L228-L230 HydrophobicContact CG-CD2 4.15Å |
| 229 | C | 96.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 120.3 | 174.3 | -172.3 | 0 | 0 | 0 | 0 | 109.1 | S164 N166 N172 R173 F226 | S164-C229 CarbonylContact O-C 3.56Å; S164-C229 WeakPolarHBondContact O-CA 3.25Å; S164-C229 WeakPolarHBondContact OG-CA 3.34Å; S164-C229 WeakPolarHBondContact OG-CB 3.34Å; S164-C229 PolarHBondContact OG-SG 2.89Å; N166-C229 WeakPolarHBondContact CB-SG 3.4Å; N172-C229 CarbonylContact C-O 3.56Å; N172-C229 WeakPolarHBondContact CA-O 3.47Å; N172-C229 WeakPolarHBondContact CB-O 3.02Å; R173-C229 HydrophobicContact CB-CB 4.17Å; R173-C229 PolarHBondContact N-O 3.03Å; R173-C229 PolarHBondContact O-N 3.47Å; F226-C229 HydrophobicContact CD2-CB 3.7Å; F226-C229 HydrophobicContact CE2-CB 3.52Å; F226-C229 HydrophobicContact CG-CB 4.31Å; F226-C229 HydrophobicContact CZ-CB 4Å |
| 230 | L | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.7 | 178.3 | -55.4 | -176.3 | 0 | 0 | 0 | 109.6 | A163 S164 I165 N166 N172 L207 L209 L228 L235 | A163-L230 HydrophobicContact CB-CD1 4.16Å; A163-L230 HydrophobicContact CB-CD2 4.36Å; A163-L230 HydrophobicContact CB-CG 3.98Å; S164-L230 PolarHBondContact O-N 3.43Å; I165-L230 HydrophobicContact CD1-CB 4.35Å; I165-L230 HydrophobicContact CD1-CD1 3.84Å; I165-L230 HydrophobicContact CD1-CG 4.38Å; N166-L230 PolarHBondContact N-O 3.11Å; N172-L230 WeakPolarHBondContact OD1-CA 3.47Å; L207-L230 HydrophobicContact CD2-CD2 3.59Å; L209-L230 HydrophobicContact CD1-CD1 4.01Å; L209-L230 HydrophobicContact CD2-CD1 4.04Å; L228-L230 HydrophobicContact CD2-CD2 3.94Å; L228-L230 HydrophobicContact CG-CD2 4.15Å; L230-L235 HydrophobicContact CB-CD2 4.06Å; L230-L235 HydrophobicContact CB-CG 4.27Å; L230-L235 HydrophobicContact CD1-CD2 4.31Å |
| 231 | G | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -84.2 | 168 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S169 N172 Q233 T234 L235 | S169-G231 CarbonylContact O-C 3.5Å; S169-G231 WeakPolarHBondContact O-CA 3.33Å; N172-G231 PolarHBondContact OD1-N 3.3Å; G231-Q233 VanDerWaalsContact C-N 3.27Å; G231-Q233 PolarHBondContact O-N 3.06Å; G231-T234 PolarHBondContact O-N 2.98Å; G231-L235 VanDerWaalsContact O-CG 3.3Å; G231-L235 WeakPolarHBondContact O-CG 3.37Å; G231-L235 PolarHBondContact O-N 2.83Å; G231-L235 VanDerWaalsContact O-N 3.16Å | ||
| 232 | L | 97.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 57.8 Ų | 57.8 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.3 | -38.9 | -176.6 | -172.8 | 64.2 | 0 | 0 | 0 | 113 | S169 Q170 T234 L235 Q236 | S169-L232 WeakPolarHBondContact O-CB 3.24Å; S169-L232 PolarHBondContact O-N 3.23Å; Q170-L232 PolarHBondContact O-N 3.05Å; L232-T234 PolarHBondContact O-N 3.06Å; L232-L235 PolarHBondContact O-N 2.87Å; L232-Q236 HydrophobicContact CD1-CG 4.22Å; L232-Q236 HydrophobicContact CG-CG 4.28Å; L232-Q236 WeakPolarHBondContact O-CB 3.22Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.26Å; L232-Q236 PolarHBondContact O-N 3.5Å |
| 233 | Q | 97.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.7 | -51.5 | -179.4 | -177.6 | -179.1 | -10.9 | 0 | 0 | 112 | Q170 H171 G231 Q236 E237 | Q170-Q233 VanDerWaalsContact O-CB 3.22Å; Q170-Q233 WeakPolarHBondContact O-CB 3.41Å; Q170-Q233 PolarHBondContact O-N 3.37Å; H171-Q233 PolarHBondContact CE1-OE1 3.27Å; H171-Q233 PolarHBondContact ND1-OE1 3.31Å; G231-Q233 VanDerWaalsContact C-N 3.27Å; G231-Q233 PolarHBondContact O-N 3.06Å; Q233-Q236 PolarHBondContact O-N 2.77Å; Q233-E237 PolarHBondContact O-N 2.82Å |
| 234 | T | 97.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.1 | -35.1 | 179.6 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | N172 L207 V214 C216 G231 L232 Q236 E237 L238 | N172-T234 PolarHBondContact ND2-OG1 2.89Å; N172-T234 PolarHBondContact OD1-OG1 3.39Å; L207-T234 HydrophobicContact CD2-CG2 3.89Å; V214-T234 HydrophobicContact CG1-CG2 3.99Å; C216-T234 HydrophobicContact CB-CG2 4.43Å; G231-T234 PolarHBondContact O-N 2.98Å; L232-T234 PolarHBondContact O-N 3.06Å; T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 PolarHBondContact O-N 2.91Å; T234-E237 PolarHBondContact O-N 3.33Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 WeakPolarHBondContact O-CG 3.4Å; T234-L238 PolarHBondContact O-N 2.87Å |
| 235 | L | 97.6 | Very high | 95.3 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.2 | -65.4 | 171.1 | 0 | 0 | 0 | 112.1 | I165 T167 L230 G231 L232 K239 C240 | I165-L235 HydrophobicContact CD1-CD2 4.21Å; I165-L235 HydrophobicContact CG2-CD1 3.77Å; I165-L235 HydrophobicContact CG2-CD2 4.18Å; T167-L235 HydrophobicContact CG2-CD1 4.07Å; L230-L235 HydrophobicContact CB-CD2 4.06Å; L230-L235 HydrophobicContact CB-CG 4.27Å; L230-L235 HydrophobicContact CD1-CD2 4.31Å; G231-L235 VanDerWaalsContact O-CG 3.3Å; G231-L235 WeakPolarHBondContact O-CG 3.37Å; G231-L235 PolarHBondContact O-N 2.83Å; G231-L235 VanDerWaalsContact O-N 3.16Å; L232-L235 PolarHBondContact O-N 2.87Å; L235-K239 PolarHBondContact O-N 3.18Å; L235-C240 HydrophobicContact CB-CB 4.29Å; L235-C240 HydrophobicContact CD2-CB 4.07Å; L235-C240 WeakPolarHBondContact O-CB 3.32Å; L235-C240 PolarHBondContact O-N 3.25Å |
| 236 | Q | 96.9 | Very high | 95.8 | Very high | 126 Ų | 126 | 51.6 Ų | 51.6 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.8 | -41.6 | 175.6 | -73.9 | 179.4 | 5.2 | 0 | 0 | 112 | L232 Q233 T234 L238 K239 | L232-Q236 HydrophobicContact CD1-CG 4.22Å; L232-Q236 HydrophobicContact CG-CG 4.28Å; L232-Q236 WeakPolarHBondContact O-CB 3.22Å; L232-Q236 VanDerWaalsContact O-CG 3.31Å; L232-Q236 WeakPolarHBondContact O-CG 3.26Å; L232-Q236 PolarHBondContact O-N 3.5Å; Q233-Q236 PolarHBondContact O-N 2.77Å; T234-Q236 VanDerWaalsContact C-N 3.33Å; T234-Q236 PolarHBondContact O-N 2.91Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.91Å; Q236-K239 WeakPolarHBondContact O-CA 3.37Å; Q236-K239 PolarHBondContact O-N 3.3Å |
| 237 | E | 95.9 | Very high | 96.3 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 51% | 0.509 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.1 | -173.2 | 171.1 | -174.8 | 0 | 0 | 112 | V214 Q233 T234 K239 | V214-E237 HydrophobicContact CG2-CB 4.49Å; V214-E237 HydrophobicContact CG2-CG 3.75Å; V214-E237 VanDerWaalsContact CG2-OE1 3.26Å; V214-E237 WeakPolarHBondContact CG2-OE1 3.16Å; V214-E237 WeakPolarHBondContact CG2-OE2 3.38Å; Q233-E237 PolarHBondContact O-N 2.82Å; T234-E237 PolarHBondContact O-N 3.33Å; E237-K239 PolarHBondContact O-N 2.84Å |
| 238 | L | 95 | Very high | 96.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -2.6 | 174.4 | -68.4 | 175.3 | 0 | 0 | 0 | 113.8 | L209 Q212 V214 T234 Q236 C240 | L209-L238 HydrophobicContact CB-CD1 4.4Å; L209-L238 HydrophobicContact CD1-CD1 4.49Å; L209-L238 HydrophobicContact CD2-CD1 4.31Å; Q212-L238 HydrophobicContact CB-CD2 4.09Å; Q212-L238 PolarHBondContact OE1-O 3.16Å; V214-L238 HydrophobicContact CB-CD2 3.74Å; V214-L238 HydrophobicContact CB-CG 4.25Å; V214-L238 HydrophobicContact CG1-CD1 3.91Å; V214-L238 HydrophobicContact CG1-CD2 3.78Å; V214-L238 HydrophobicContact CG1-CG 3.93Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CB 3.41Å; T234-L238 WeakPolarHBondContact O-CG 3.4Å; T234-L238 PolarHBondContact O-N 2.87Å; Q236-L238 VanDerWaalsContact C-N 3.32Å; Q236-L238 PolarHBondContact O-N 2.91Å; L238-C240 VanDerWaalsContact C-N 3.26Å; L238-C240 PolarHBondContact O-N 2.96Å |
| 239 | K | 95.7 | Very high | 96.5 | Very high | 130 Ų | 130 | 52.8 Ų | 52.8 | 57% | 0.565 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 48.7 | -175 | -58.8 | 179.2 | -179.4 | 175.8 | 0 | 111.8 | L235 Q236 E237 Q252 | L235-K239 PolarHBondContact O-N 3.18Å; Q236-K239 WeakPolarHBondContact O-CA 3.37Å; Q236-K239 PolarHBondContact O-N 3.3Å; E237-K239 PolarHBondContact O-N 2.84Å; K239-Q252 HydrophobicContact CB-CB 3.83Å; K239-Q252 VanDerWaalsContact O-CB 3.25Å; K239-Q252 WeakPolarHBondContact O-CB 3.26Å; K239-Q252 PolarHBondContact O-N 3.46Å |
| 240 | C | 96.8 | Very high | 96.5 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 138.9 | 179.8 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | L235 L238 L249 K250 | L235-C240 HydrophobicContact CB-CB 4.29Å; L235-C240 HydrophobicContact CD2-CB 4.07Å; L235-C240 WeakPolarHBondContact O-CB 3.32Å; L235-C240 PolarHBondContact O-N 3.25Å; L238-C240 VanDerWaalsContact C-N 3.26Å; L238-C240 PolarHBondContact O-N 2.96Å; C240-L249 HydrophobicContact CB-CD1 3.88Å; C240-L249 HydrophobicContact CB-CG 4.38Å; C240-K250 CarbonylContact C-O 3.43Å; C240-K250 VanDerWaalsContact CA-O 3.29Å; C240-K250 WeakPolarHBondContact CA-O 3.34Å |
| 241 | C | 97 | Very high | 96.4 | Very high | 70 Ų | 70 | 55.7 Ų | 55.7 | 47% | 0.473 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 122.8 | 165 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | D243 K250 | C241-D243 PolarHBondContact O-N 2.97Å; C241-K250 HydrophobicContact CB-CB 4.17Å; C241-K250 PolarHBondContact N-O 3.18Å; C241-K250 PolarHBondContact O-N 3.02Å |
| 242 | V | 97.1 | Very high | 95.9 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 30% | 0.303 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 100.2 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 108 | L150 I165 L244 L249 F260 | L150-V242 HydrophobicContact CD1-CG1 3.77Å; I165-V242 HydrophobicContact CG2-CG2 4.02Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.37Å; V242-L249 HydrophobicContact CG2-CD1 3.76Å; V242-F260 HydrophobicContact CG1-CE2 4.45Å; V242-F260 HydrophobicContact CG1-CZ 3.94Å |
| 243 | D | 96 | Very high | 95.3 | Very high | 33 Ų | 33 | 63.9 Ų | 63.9 | 18% | 0.176 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 102.1 | 179.1 | -174.9 | -11.8 | 0 | 0 | 0 | 110.1 | C241 S245 S246 R247 V248 K250 | C241-D243 PolarHBondContact O-N 2.97Å; D243-S245 VanDerWaalsContact C-N 3.31Å; D243-S245 WeakPolarHBondContact OD1-CA 3.46Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 3.48Å; D243-S246 WeakPolarHBondContact CB-OG 3.49Å; D243-S246 PolarHBondContact OD1-N 3Å; D243-S246 VanDerWaalsContact OD1-N 3.1Å; D243-S246 PolarHBondContact OD1-OG 3.37Å; D243-S246 PolarHBondContact OD2-OG 3.46Å; D243-R247 VanDerWaalsContact O-CA 3.3Å; D243-R247 WeakPolarHBondContact O-CA 3.3Å; D243-R247 PolarHBondContact O-N 3.36Å; D243-V248 HydrophobicContact CB-CG2 4.2Å; D243-V248 PolarHBondContact N-O 3.07Å; D243-V248 PolarHBondContact O-N 2.94Å; D243-K250 WeakPolarHBondContact OD2-CE 3.45Å; D243-K250 IonicContact OD2-NZ 2.91Å; D243-K250 PolarHBondContact OD2-NZ 2.98Å |
| 244 | L | 94.7 | Very high | 94.9 | Very high | 107 Ų | 107 | 61 Ų | 61 | 56% | 0.56 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -19.5 | 179.9 | -57.4 | -179 | 0 | 0 | 0 | 112.9 | L150 V242 F260 | L150-L244 HydrophobicContact CD1-CD2 3.7Å; L150-L244 HydrophobicContact CD2-CD2 3.96Å; L150-L244 HydrophobicContact CG-CD2 4.48Å; V242-L244 HydrophobicContact CG1-CD2 3.79Å; V242-L244 HydrophobicContact CG1-CG 4.37Å; L244-F260 HydrophobicContact CD2-CE2 4.45Å |
| 245 | S | 94.4 | Very high | 94.4 | Very high | 121 Ų | 121 | 64 Ų | 64 | 85% | 0.846 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -48.2 | -179.9 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | D243 | D243-S245 VanDerWaalsContact C-N 3.31Å; D243-S245 WeakPolarHBondContact OD1-CA 3.46Å; D243-S245 WeakPolarHBondContact OD1-CB 3.26Å; D243-S245 PolarHBondContact OD1-N 3.48Å |
| 246 | S | 94.8 | Very high | 94.3 | Very high | 55 Ų | 55 | 65.2 Ų | 65.2 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.9 | 176 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | D243 V248 | D243-S246 WeakPolarHBondContact CB-OG 3.49Å; D243-S246 PolarHBondContact OD1-N 3Å; D243-S246 VanDerWaalsContact OD1-N 3.1Å; D243-S246 PolarHBondContact OD1-OG 3.37Å; D243-S246 PolarHBondContact OD2-OG 3.46Å; S246-V248 WeakPolarHBondContact O-CG1 3.36Å; S246-V248 WeakPolarHBondContact OG-CG2 3.49Å |
| 247 | R | 94.8 | Very high | 94.3 | Very high | 108 Ų | 108 | 64.3 Ų | 64.3 | 41% | 0.408 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 43.9 | -177.5 | -65.7 | -86 | -157.9 | 160.2 | 2.9 | 112.4 | D243 F260 | D243-R247 VanDerWaalsContact O-CA 3.3Å; D243-R247 WeakPolarHBondContact O-CA 3.3Å; D243-R247 PolarHBondContact O-N 3.36Å; R247-F260 HydrophobicContact CB-CD2 4.16Å; R247-F260 WeakPolarHBondContact O-CD2 3.41Å; R247-F260 PolarHBondContact O-N 3.33Å |
| 248 | V | 96.8 | Very high | 94.3 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 9% | 0.091 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 153.4 | 177.5 | -49.6 | 0 | 0 | 0 | 0 | 112.3 | D243 S246 K250 E257 L258 F260 | D243-V248 HydrophobicContact CB-CG2 4.2Å; D243-V248 PolarHBondContact N-O 3.07Å; D243-V248 PolarHBondContact O-N 2.94Å; S246-V248 WeakPolarHBondContact O-CG1 3.36Å; S246-V248 WeakPolarHBondContact OG-CG2 3.49Å; V248-K250 HydrophobicContact CG2-CD 4.33Å; V248-K250 HydrophobicContact CG2-CG 3.68Å; V248-E257 HydrophobicContact CB-CB 4.16Å; V248-E257 HydrophobicContact CG1-CB 4.42Å; V248-E257 HydrophobicContact CG2-CB 4.02Å; V248-E257 HydrophobicContact CG2-CG 4.34Å; V248-L258 CarbonylContact C-O 3.51Å; V248-L258 VanDerWaalsContact CA-O 3.26Å; V248-L258 WeakPolarHBondContact CA-O 3.39Å; V248-F260 VanDerWaalsContact C-CZ 3.49Å; V248-F260 WeakPolarHBondContact O-CE2 3.06Å; V248-F260 WeakPolarHBondContact O-CZ 3.48Å |
| 249 | L | 97.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 111.8 | 163.8 | -172.8 | 71.1 | 0 | 0 | 0 | 108.6 | V152 I165 L209 C240 V242 L258 F260 | V152-L249 HydrophobicContact CG1-CB 4.08Å; V152-L249 HydrophobicContact CG1-CD2 4.16Å; V152-L249 HydrophobicContact CG2-CD2 4.28Å; I165-L249 HydrophobicContact CD1-CD2 3.9Å; L209-L249 HydrophobicContact CD2-CD2 3.58Å; C240-L249 HydrophobicContact CB-CD1 3.88Å; C240-L249 HydrophobicContact CB-CG 4.38Å; V242-L249 HydrophobicContact CG2-CD1 3.76Å; L249-L258 HydrophobicContact CB-CB 4.37Å; L249-L258 PolarHBondContact N-O 3.12Å; L249-L258 PolarHBondContact O-N 3.42Å; L249-F260 HydrophobicContact CB-CE1 3.86Å; L249-F260 HydrophobicContact CB-CZ 4.12Å |
| 250 | K | 96.8 | Very high | 94.4 | Very high | 64 Ų | 64 | 59.3 Ų | 59.3 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 131.3 | 179.5 | -48.8 | -172.2 | -178.3 | -174.9 | 0 | 110.1 | C240 C241 D243 V248 E256 E257 | C240-K250 CarbonylContact C-O 3.43Å; C240-K250 VanDerWaalsContact CA-O 3.29Å; C240-K250 WeakPolarHBondContact CA-O 3.34Å; C241-K250 HydrophobicContact CB-CB 4.17Å; C241-K250 PolarHBondContact N-O 3.18Å; C241-K250 PolarHBondContact O-N 3.02Å; D243-K250 WeakPolarHBondContact OD2-CE 3.45Å; D243-K250 IonicContact OD2-NZ 2.91Å; D243-K250 PolarHBondContact OD2-NZ 2.98Å; V248-K250 HydrophobicContact CG2-CD 4.33Å; V248-K250 HydrophobicContact CG2-CG 3.68Å; K250-E256 WeakPolarHBondContact CA-O 3.33Å; K250-E257 HydrophobicContact CD-CG 4.44Å; K250-E257 VanDerWaalsContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CE-OE1 3.47Å; K250-E257 HydrophobicContact CG-CG 4.06Å; K250-E257 IonicContact NZ-OE1 3.32Å; K250-E257 PolarHBondContact NZ-OE1 2.85Å |
| 251 | L | 95.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 96.4 | 179.1 | -59.4 | 178.2 | 0 | 0 | 0 | 109.1 | L209 Q212 G253 S254 G255 E256 L258 | L209-L251 HydrophobicContact CB-CD1 4.03Å; L209-L251 HydrophobicContact CB-CD2 4.26Å; L209-L251 HydrophobicContact CD2-CD2 4.07Å; L209-L251 WeakPolarHBondContact O-CD1 3.36Å; Q212-L251 PolarHBondContact NE2-O 2.83Å; L251-G253 VanDerWaalsContact C-N 3.25Å; L251-G253 PolarHBondContact O-N 2.98Å; L251-S254 PolarHBondContact O-N 3.18Å; L251-S254 VanDerWaalsContact O-N 3.1Å; L251-G255 PolarHBondContact O-N 3.17Å; L251-E256 HydrophobicContact CD1-CB 4.38Å; L251-E256 PolarHBondContact N-O 2.86Å; L251-L258 HydrophobicContact CD1-CD1 3.88Å; L251-L258 HydrophobicContact CD1-CG 4.16Å; L251-L258 HydrophobicContact CG-CD1 4.39Å |
| 252 | Q | 88.4 | Confident | 93.8 | Very high | 149 Ų | 149 | 66.2 Ų | 66.2 | 70% | 0.696 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -32.1 | -169.1 | -166.1 | 177.9 | 13 | 0 | 0 | 113.3 | K239 S254 | K239-Q252 HydrophobicContact CB-CB 3.83Å; K239-Q252 VanDerWaalsContact O-CB 3.25Å; K239-Q252 WeakPolarHBondContact O-CB 3.26Å; K239-Q252 PolarHBondContact O-N 3.46Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 3.22Å |
| 253 | G | 84.4 | Confident | 92.7 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 66% | 0.66 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -22.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L251 | L251-G253 VanDerWaalsContact C-N 3.25Å; L251-G253 PolarHBondContact O-N 2.98Å |
| 254 | S | 88.4 | Confident | 91.3 | Very high | 31 Ų | 31 | 70.5 Ų | 70.5 | 22% | 0.217 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | -7.8 | -176 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | R211 Q212 L251 Q252 E256 | R211-S254 PolarHBondContact NH2-O 2.83Å; R211-S254 VanDerWaalsContact NH2-O 3.15Å; Q212-S254 PolarHBondContact NE2-OG 2.76Å; L251-S254 PolarHBondContact O-N 3.18Å; L251-S254 VanDerWaalsContact O-N 3.1Å; Q252-S254 VanDerWaalsContact C-N 3.29Å; Q252-S254 PolarHBondContact O-N 3.22Å; S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-OE2 3.47Å |
| 255 | G | 88.8 | Confident | 89.9 | Confident | 68 Ų | 68 | 73.4 Ų | 73.4 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 14.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L251 | L251-G255 PolarHBondContact O-N 3.17Š|
| 256 | E | 94.3 | Very high | 88 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 15% | 0.154 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 149.8 | -179.5 | -70.6 | 179.5 | 112.2 | 0 | 0 | 111.9 | R211 K250 L251 S254 | R211-E256 VanDerWaalsContact CB-OE2 3.23Å; R211-E256 WeakPolarHBondContact CB-OE2 3.16Å; R211-E256 WeakPolarHBondContact CG-OE1 3.21Å; R211-E256 WeakPolarHBondContact CG-OE2 3.46Å; R211-E256 IonicContact CZ-OE1 2.98Å; R211-E256 IonicContact CZ-OE2 2.67Å; R211-E256 PolarHBondContact N-OE2 3.42Å; R211-E256 IonicContact NE-OE1 3.78Å; R211-E256 IonicContact NE-OE2 3.98Å; R211-E256 VanDerWaalsContact NH1-CG 3.33Å; R211-E256 IonicContact NH1-OE1 3.55Å; R211-E256 PolarHBondContact NH1-OE1 3.31Å; R211-E256 IonicContact NH1-OE2 3.57Å; R211-E256 VanDerWaalsContact NH2-CG 3.31Å; K250-E256 WeakPolarHBondContact CA-O 3.33Å; L251-E256 HydrophobicContact CD1-CB 4.38Å; L251-E256 PolarHBondContact N-O 2.86Å; S254-E256 PolarHBondContact O-N 3.38Å; S254-E256 PolarHBondContact OG-OE2 3.47Å |
| 257 | E | 96.4 | Very high | 85.9 | Confident | 107 Ų | 107 | 75.9 Ų | 75.9 | 50% | 0.5 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.1 | 173.2 | -56 | -167.2 | 146.5 | 0 | 0 | 108.4 | V248 K250 | V248-E257 HydrophobicContact CB-CB 4.16Å; V248-E257 HydrophobicContact CG1-CB 4.42Å; V248-E257 HydrophobicContact CG2-CB 4.02Å; V248-E257 HydrophobicContact CG2-CG 4.34Å; K250-E257 HydrophobicContact CD-CG 4.44Å; K250-E257 VanDerWaalsContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CD-OE1 3.32Å; K250-E257 WeakPolarHBondContact CE-OE1 3.47Å; K250-E257 HydrophobicContact CG-CG 4.06Å; K250-E257 IonicContact NZ-OE1 3.32Å; K250-E257 PolarHBondContact NZ-OE1 2.85Å |
| 258 | L | 96.6 | Very high | 83.7 | Confident | 28 Ų | 28 | 78.3 Ų | 78.3 | 15% | 0.147 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 115 | 176.3 | -61.7 | 179.4 | 0 | 0 | 0 | 109 | L209 V248 L249 L251 | L209-L258 HydrophobicContact CB-CD1 4.04Å; L209-L258 HydrophobicContact CD2-CD1 4.05Å; L209-L258 HydrophobicContact CG-CD1 3.99Å; V248-L258 CarbonylContact C-O 3.51Å; V248-L258 VanDerWaalsContact CA-O 3.26Å; V248-L258 WeakPolarHBondContact CA-O 3.39Å; L249-L258 HydrophobicContact CB-CB 4.37Å; L249-L258 PolarHBondContact N-O 3.12Å; L249-L258 PolarHBondContact O-N 3.42Å; L251-L258 HydrophobicContact CD1-CD1 3.88Å; L251-L258 HydrophobicContact CD1-CG 4.16Å; L251-L258 HydrophobicContact CG-CD1 4.39Å |
| 259 | P | 96.2 | Very high | 80.9 | Confident | 93 Ų | 93 | 83 Ų | 83 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.4 | 178.5 | 27.4 | -33.6 | 0 | 0 | 0 | 111.1 | ||
| 260 | F | 96.1 | Very high | 78.5 | Confident | 20 Ų | 20 | 90 Ų | 90 | 9% | 0.088 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 139.2 | 170.4 | -63.1 | -53 | 0 | 0 | 0 | 110.1 | L150 L151 V152 I165 V242 L244 R247 V248 L249 | L150-F260 HydrophobicContact CB-CD1 4.06Å; L150-F260 HydrophobicContact CB-CE1 4.06Å; L150-F260 HydrophobicContact CD1-CZ 4.4Å; L150-F260 HydrophobicContact CD2-CD2 4.04Å; L150-F260 HydrophobicContact CD2-CE2 4.21Å; L150-F260 HydrophobicContact CD2-CG 4.29Å; L151-F260 CarbonylContact O-C 3.51Å; L151-F260 VanDerWaalsContact O-CA 3.27Å; L151-F260 WeakPolarHBondContact O-CA 3.35Å; V152-F260 HydrophobicContact CG1-CD1 3.59Å; V152-F260 HydrophobicContact CG1-CE1 3.81Å; I165-F260 HydrophobicContact CG1-CE1 4.25Å; V242-F260 HydrophobicContact CG1-CE2 4.45Å; V242-F260 HydrophobicContact CG1-CZ 3.94Å; L244-F260 HydrophobicContact CD2-CE2 4.45Å; R247-F260 HydrophobicContact CB-CD2 4.16Å; R247-F260 WeakPolarHBondContact O-CD2 3.41Å; R247-F260 PolarHBondContact O-N 3.33Å; V248-F260 VanDerWaalsContact C-CZ 3.49Å; V248-F260 WeakPolarHBondContact O-CE2 3.06Å; V248-F260 WeakPolarHBondContact O-CZ 3.48Å; L249-F260 HydrophobicContact CB-CE1 3.86Å; L249-F260 HydrophobicContact CB-CZ 4.12Å |
| 261 | M | 92.9 | Very high | 76.1 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 33% | 0.325 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 143.5 | 177.1 | -56.7 | -171.3 | 76.1 | 0 | 0 | 110.8 | L151 K162 | L151-M261 HydrophobicContact CB-CB 4.03Å; L151-M261 HydrophobicContact CB-CG 4.13Å; L151-M261 HydrophobicContact CB-SD 4.21Å; L151-M261 PolarHBondContact O-N 3.03Å; K162-M261 HydrophobicContact CD-CE 4.22Å; K162-M261 HydrophobicContact CD-SD 3.93Å; K162-M261 HydrophobicContact CG-SD 3.94Å |
| 262 | E | 87.7 | Confident | 73.6 | Confident | 177 Ų | 177 | 103.5 Ų | 103.5 | 83% | 0.827 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 136.2 | 172.6 | -65.8 | -167.9 | 155.5 | 0 | 0 | 110.4 | ||
| 263 | P | 74.9 | Confident | 71.4 | Confident | 56 Ų | 56 | 103.7 Ų | 103.7 | 36% | 0.364 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -66.5 | 144.5 | 172.9 | 29.3 | -35 | 0 | 0 | 0 | 110.2 | T148 L265 | T148-P263 HydrophobicContact CG2-CB 3.35Å; T148-P263 HydrophobicContact CG2-CG 3.43Å; T148-P263 VanDerWaalsContact CG2-CG 3.43Å; P263-L265 PolarHBondContact O-N 3.34Å |
| 264 | P | 66.4 | Low | 69.4 | Low | 117 Ų | 117 | 105.2 Ų | 105.2 | 76% | 0.76 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 128.3 | 172.3 | 23.4 | -30.3 | 0 | 0 | 0 | 109.2 | V266 | P264-V266 PolarHBondContact O-N 3.39Š|
| 265 | L | 64.7 | Low | 67.5 | Low | 169 Ų | 169 | 110.7 Ų | 110.7 | 89% | 0.885 | 62% | 0.615 | S | S | * | * | trans | -63 | 106.2 | 174.9 | -66.4 | 173.7 | 0 | 0 | 0 | 108.1 | P263 S267 | P263-L265 PolarHBondContact O-N 3.34Å; L265-S267 PolarHBondContact O-N 3.04Å | ||
| 266 | V | 55.7 | Low | 65.7 | Low | 131 Ų | 131 | 116 Ų | 116 | 79% | 0.794 | 62% | 0.621 | S | S | * | * | trans | -71.1 | 99.1 | 170.1 | -169.6 | 0 | 0 | 0 | 0 | 106.6 | P264 Q268 | P264-V266 PolarHBondContact O-N 3.39Å; V266-Q268 PolarHBondContact O-N 3.3Å; V266-Q268 VanDerWaalsContact O-N 3.09Å | ||
| 267 | S | 50.5 | Low | 63.4 | Low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | trans | -55.3 | 115.3 | 164.9 | -61.3 | 0 | 0 | 0 | 0 | 107.3 | L265 C269 | L265-S267 PolarHBondContact O-N 3.04Å; S267-C269 VanDerWaalsContact C-N 3.29Å; S267-C269 PolarHBondContact O-N 3.4Å | ||
| 268 | Q | 48.7 | Very low | 60.9 | Low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | trans | -65 | 91.4 | 175.5 | -71.4 | 177.4 | 16.8 | 0 | 0 | 108.8 | V266 H270 | V266-Q268 PolarHBondContact O-N 3.3Å; V266-Q268 VanDerWaalsContact O-N 3.09Å; Q268-H270 PolarHBondContact O-N 2.99Å; Q268-H270 PolarHBondContact O-ND1 2.97Å; Q268-H270 PolarHBondContact OE1-CE1 2.84Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.26Å | ||
| 269 | C | 38.1 | Very low | 59.1 | Low | 114 Ų | 114 | 133 Ų | 133 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 88 | 162.7 | -60 | 0 | 0 | 0 | 0 | 106.9 | S267 Q271 | S267-C269 VanDerWaalsContact C-N 3.29Å; S267-C269 PolarHBondContact O-N 3.4Å; C269-Q271 VanDerWaalsContact C-N 3.3Å; C269-Q271 PolarHBondContact O-N 3.47Å | ||
| 270 | H | 45.8 | Very low | 57.2 | Low | 147 Ų | 147 | 135.1 Ų | 135.1 | 68% | 0.681 | 72% | 0.722 | S | S | * | * | trans | -59.8 | 99.9 | 159.7 | -67.9 | 83.7 | 0 | 0 | 0 | 106.3 | Q268 Q272 | Q268-H270 PolarHBondContact O-N 2.99Å; Q268-H270 PolarHBondContact O-ND1 2.97Å; Q268-H270 PolarHBondContact OE1-CE1 2.84Å; Q268-H270 VanDerWaalsContact OE1-CE1 3.26Å; H270-Q272 PolarHBondContact O-N 3.33Å | ||
| 271 | Q | 47.2 | Very low | 55 | Low | 178 Ų | 178 | 141.5 Ų | 141.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -66.4 | 96.9 | 157.1 | -72.9 | -179.9 | 31.8 | 0 | 0 | 104.8 | C269 D273 | C269-Q271 VanDerWaalsContact C-N 3.3Å; C269-Q271 PolarHBondContact O-N 3.47Å; Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.27Å | ||
| 272 | Q | 42.8 | Very low | 52.8 | Low | 169 Ų | 169 | 145.9 Ų | 145.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -57.5 | 106.1 | 159.6 | -84.7 | 178.8 | -76.4 | 0 | 0 | 105.9 | H270 S274 | H270-Q272 PolarHBondContact O-N 3.33Å; Q272-S274 PolarHBondContact O-N 2.84Å | ||
| 273 | D | 42.9 | Very low | 50.6 | Low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -52 | 91.4 | 155.4 | -88.2 | -54.5 | 0 | 0 | 0 | 107.5 | Q271 N275 | Q271-D273 VanDerWaalsContact C-N 3.32Å; Q271-D273 PolarHBondContact O-N 3.27Å; D273-N275 PolarHBondContact O-N 2.83Å | ||
| 274 | S | 42.4 | Very low | 49 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | -80 | 83.4 | 164.3 | -59.9 | 0 | 0 | 0 | 0 | 105.9 | Q272 E276 | Q272-S274 PolarHBondContact O-N 2.84Å; S274-E276 PolarHBondContact O-N 2.93Å | ||
| 275 | N | 47.6 | Very low | 47.7 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -67.1 | 79.8 | 161.8 | -124.9 | -32.6 | 0 | 0 | 0 | 107.2 | D273 N277 | D273-N275 PolarHBondContact O-N 2.83Å; N275-N277 PolarHBondContact O-N 2.83Å | ||
| 276 | E | 52.7 | Low | 46.4 | Very low | 179 Ų | 179 | 150.9 Ų | 150.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 103.2 | 165.6 | -66.8 | -147.5 | 108.5 | 0 | 0 | 108.1 | S274 L278 | S274-E276 PolarHBondContact O-N 2.93Å; E276-L278 PolarHBondContact O-N 3.27Å | ||
| 277 | N | 44.3 | Very low | 45.7 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | -51.6 | 126.8 | 154.8 | -86.3 | -103.7 | 0 | 0 | 0 | 108.6 | N275 | N275-N277 PolarHBondContact O-N 2.83Š| ||
| 278 | L | 44.9 | Very low | 45.2 | Very low | 249 Ų | 249 | 157.6 Ų | 157.6 | 100% | 1.304 | 82% | 0.818 | S | S | * | * | trans | -156.3 | 0 | 137.4 | -128.3 | 78.6 | 0 | 0 | 0 | 110.4 | E276 | E276-L278 PolarHBondContact O-N 3.27Š|
Retrieved 278 of 278 residues in 451.7 ms
(Link to these results)