| 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 | 55.7 | Low | 60.6 | Low | 209 Ų | 209 | 131.4 Ų | 131.4 | 100% | 1.03 | 65% | 0.648 | S | S | * | * | 0 | -23.4 | 0 | -80.7 | -173.6 | 174.4 | 0 | 0 | 114.6 | |||||
| 2 | K | 51.8 | Low | 60.8 | Low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.865 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -70.6 | -32 | 176.1 | -69.4 | -175.8 | 176.4 | -176.8 | 0 | 114.2 | ||
| 3 | T | 60.5 | Low | 61.4 | Low | 108 Ų | 108 | 123.7 Ų | 123.7 | 66% | 0.663 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.5 | -34.2 | 179.6 | 39.9 | 0 | 0 | 0 | 0 | 113.7 | A5 E7 | T3-A5 PolarHBondContact O-N 3.42Å; T3-E7 PolarHBondContact O-N 3.39Å |
| 4 | F | 50.8 | Low | 61.5 | Low | 163 Ų | 163 | 125.1 Ų | 125.1 | 72% | 0.715 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -71.4 | -25.8 | -176.7 | -117.3 | -90.2 | 0 | 0 | 0 | 114.4 | K8 | F4-K8 PolarHBondContact O-N 3.32Å |
| 5 | A | 58.5 | Low | 61.5 | Low | 65 Ų | 65 | 124.4 Ų | 124.4 | 54% | 0.537 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -80.4 | -39.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | T3 K8 L9 | T3-A5 PolarHBondContact O-N 3.42Å; A5-K8 PolarHBondContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 3.26Å |
| 6 | S | 63.5 | Low | 60.8 | Low | 86 Ų | 86 | 121.1 Ų | 121.1 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -43.5 | 175.8 | 176 | 0 | 0 | 0 | 0 | 111.5 | K8 L9 H10 | S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.02Å; S6-L9 PolarHBondContact O-N 3.43Å; S6-H10 PolarHBondContact O-N 2.87Å |
| 7 | E | 66.1 | Low | 60 | Low | 103 Ų | 103 | 125.5 Ų | 125.5 | 48% | 0.481 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.9 | -31.9 | -179.8 | -155.8 | 177.5 | 169.8 | 0 | 0 | 112.6 | T3 R11 | T3-E7 PolarHBondContact O-N 3.39Å; E7-R11 PolarHBondContact O-N 3Å |
| 8 | K | 64.7 | Low | 59.7 | Low | 148 Ų | 148 | 124.4 Ų | 124.4 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.2 | -33.6 | 176.4 | -160.6 | 172.5 | -174.8 | -179.8 | 0 | 112.6 | F4 A5 S6 Q12 | F4-K8 PolarHBondContact O-N 3.32Å; A5-K8 PolarHBondContact O-N 3.11Å; S6-K8 VanDerWaalsContact C-N 3.31Å; S6-K8 PolarHBondContact O-N 3.02Å; K8-Q12 PolarHBondContact O-N 3.29Å |
| 9 | L | 60.8 | Low | 58.9 | Low | 77 Ų | 77 | 126.9 Ų | 126.9 | 40% | 0.403 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.5 | -40.3 | 174.3 | -136.4 | 97.7 | 0 | 0 | 0 | 111.1 | A5 S6 Q12 C13 | A5-L9 PolarHBondContact O-N 3.26Å; S6-L9 PolarHBondContact O-N 3.43Å; L9-Q12 PolarHBondContact O-N 3.28Å; L9-C13 PolarHBondContact O-N 3.4Å |
| 10 | H | 66.9 | Low | 58.5 | Low | 122 Ų | 122 | 122.7 Ų | 122.7 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -63.9 | -43.7 | 178.5 | -148.9 | 59.9 | 0 | 0 | 0 | 111.7 | S6 Q12 C13 E14 | S6-H10 PolarHBondContact O-N 2.87Å; H10-Q12 VanDerWaalsContact C-N 3.3Å; H10-Q12 PolarHBondContact O-N 2.93Å; H10-C13 PolarHBondContact O-N 3.01Å; H10-E14 PolarHBondContact O-N 3.49Å |
| 11 | R | 67.6 | Low | 58 | Low | 165 Ų | 165 | 121.4 Ų | 121.4 | 62% | 0.623 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.8 | -31.1 | 174.4 | -73.2 | -170.7 | -170.8 | -155 | 4.2 | 113.7 | E7 E14 T15 | E7-R11 PolarHBondContact O-N 3Å; R11-E14 PolarHBondContact O-N 3.31Å; R11-T15 PolarHBondContact O-OG1 3.42Å |
| 12 | Q | 62.4 | Low | 57.5 | Low | 128 Ų | 128 | 113.8 Ų | 113.8 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.4 | -33 | 177.1 | -83.3 | -174.7 | -29 | 0 | 0 | 112.9 | K8 L9 H10 | K8-Q12 PolarHBondContact O-N 3.29Å; L9-Q12 PolarHBondContact O-N 3.28Å; H10-Q12 VanDerWaalsContact C-N 3.3Å; H10-Q12 PolarHBondContact O-N 2.93Å |
| 13 | C | 69 | Low | 57.1 | Low | 35 Ų | 35 | 109 Ų | 109 | 24% | 0.236 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -71.5 | -29.1 | 173.4 | -73.8 | 0 | 0 | 0 | 0 | 112.4 | L9 H10 T15 C43 | L9-C13 PolarHBondContact O-N 3.4Å; H10-C13 PolarHBondContact O-N 3.01Å; C13-T15 VanDerWaalsContact C-N 3.34Å; C13-T15 PolarHBondContact O-N 3.3Å; C13-C43 HydrophobicContact CB-CB 4.12Å; C13-C43 WeakPolarHBondContact CB-SG 3.34Å; C13-C43 WeakPolarHBondContact SG-CB 3.27Å; C13-C43 CovalentContact SG-SG 2.08Å; C13-C43 PolarHBondContact SG-SG 3.36Å |
| 14 | E | 63.3 | Low | 56.4 | Low | 144 Ų | 144 | 107.5 Ų | 107.5 | 67% | 0.673 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -74.1 | -17.8 | 179.2 | -74.6 | -175.2 | 148.4 | 0 | 0 | 114.7 | H10 R11 V16 | H10-E14 PolarHBondContact O-N 3.49Å; R11-E14 PolarHBondContact O-N 3.31Å; E14-V16 PolarHBondContact O-N 3.25Å |
| 15 | T | 60.5 | Low | 56.3 | Low | 114 Ų | 114 | 105.1 Ų | 105.1 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -2.2 | -169.4 | -35.6 | 0 | 0 | 0 | 0 | 114 | R11 C13 K17 | R11-T15 PolarHBondContact O-OG1 3.42Å; C13-T15 VanDerWaalsContact C-N 3.34Å; C13-T15 PolarHBondContact O-N 3.3Å; T15-K17 PolarHBondContact O-N 3.07Å |
| 16 | V | 50.9 | Low | 56.5 | Low | 71 Ų | 71 | 107 Ų | 107 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | trans | -96.3 | 86.6 | -176.4 | -168 | 0 | 0 | 0 | 0 | 111 | E14 F18 F39 | E14-V16 PolarHBondContact O-N 3.25Å; V16-F18 HydrophobicContact CB-CE2 4.35Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE2 3.33Å; V16-F18 HydrophobicContact CG1-CZ 3.89Å; V16-F18 PolarHBondContact O-N 3.18Å; V16-F39 HydrophobicContact CG2-CZ 4.37Å | ||
| 17 | K | 47.1 | Very low | 56.3 | Low | 196 Ų | 196 | 106.2 Ų | 106.2 | 85% | 0.852 | 58% | 0.583 | S | S | * | * | trans | -80.2 | 107.8 | 168.9 | -79.2 | -175.9 | 177.7 | 178.4 | 0 | 110.3 | T15 | T15-K17 PolarHBondContact O-N 3.07Š| ||
| 18 | F | 54.9 | Low | 55.9 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 47% | 0.465 | 59% | 0.589 | S | S | . | * | trans | -82.2 | 115.1 | 172.1 | -79.7 | -87.1 | 0 | 0 | 0 | 111 | V16 | V16-F18 HydrophobicContact CB-CE2 4.35Å; V16-F18 HydrophobicContact CG1-CD2 3.75Å; V16-F18 HydrophobicContact CG1-CE2 3.33Å; V16-F18 HydrophobicContact CG1-CZ 3.89Å; V16-F18 PolarHBondContact O-N 3.18Å | ||
| 19 | N | 43.5 | Very low | 56.1 | Low | 172 Ų | 172 | 106.9 Ų | 106.9 | 92% | 0.92 | 59% | 0.588 | S | S | * | * | trans | -103.6 | 47.3 | 170.5 | -87 | -1.1 | 0 | 0 | 0 | 111.6 | ||||
| 20 | G | 52.4 | Low | 56.9 | Low | 42 Ų | 42 | 104.8 Ų | 104.8 | 43% | 0.433 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -155.4 | 140.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 21 | T | 46.4 | Very low | 57.7 | Low | 96 Ų | 96 | 102.3 Ų | 102.3 | 59% | 0.589 | 57% | 0.571 | S | S | * | * | trans | -80.7 | 118.9 | 166.3 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | P32 | T21-P32 HydrophobicContact CG2-CG 4.49Š| ||
| 22 | S | 46.8 | Very low | 58 | Low | 50 Ų | 50 | 98.1 Ų | 98.1 | 35% | 0.35 | 57% | 0.565 | S | S | . | * | trans | -111.2 | 131.9 | 171.4 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | H35 | S22-H35 PolarHBondContact OG-NE2 3.49Š| ||
| 23 | T | 41.8 | Very low | 58.7 | Low | 99 Ų | 99 | 95 Ų | 95 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | B | Isolated β-bridge | trans | -88.1 | 116.6 | 172.4 | -39.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 24 | I | 47.2 | Very low | 59.2 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 39% | 0.39 | 57% | 0.569 | S | S | . | * | trans | -78.9 | 148 | 172.8 | -59.2 | -178.8 | 0 | 0 | 0 | 108.3 | T26 G27 L30 | I24-T26 PolarHBondContact O-N 3.32Å; I24-G27 PolarHBondContact O-N 3.36Å; I24-G27 VanDerWaalsContact O-N 3.14Å; I24-L30 HydrophobicContact CD1-CD1 3.67Å; I24-L30 HydrophobicContact CG1-CD1 4.48Å | ||
| 25 | A | 48.9 | Very low | 59.8 | Low | 112 Ų | 112 | 92.5 Ų | 92.5 | 93% | 0.926 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 7.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 26 | T | 61.7 | Low | 60.6 | Low | 105 Ų | 105 | 90.1 Ų | 90.1 | 64% | 0.644 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 8.4 | 174.2 | 49 | 0 | 0 | 0 | 0 | 113.5 | I24 Q28 | I24-T26 PolarHBondContact O-N 3.32Å; T26-Q28 PolarHBondContact O-N 2.87Å; T26-Q28 VanDerWaalsContact O-N 3.16Å |
| 27 | G | 58.8 | Low | 62 | Low | 69 Ų | 69 | 94.3 Ų | 94.3 | 71% | 0.711 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 70.4 | 8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I24 | I24-G27 PolarHBondContact O-N 3.36Å; I24-G27 VanDerWaalsContact O-N 3.14Å |
| 28 | Q | 59 | Low | 63.5 | Low | 132 Ų | 132 | 88.1 Ų | 88.1 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | trans | -94.5 | 121.8 | 177 | -69.7 | -170.7 | -16.8 | 0 | 0 | 110.7 | T26 L30 | T26-Q28 PolarHBondContact O-N 2.87Å; T26-Q28 VanDerWaalsContact O-N 3.16Å; Q28-L30 PolarHBondContact O-N 3.47Å | ||
| 29 | H | 68.5 | Low | 64.7 | Low | 133 Ų | 133 | 86 Ų | 86 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | B | Isolated β-bridge | trans | -78.9 | 100 | 174.5 | -149.6 | -77.8 | 0 | 0 | 0 | 108.6 | ||
| 30 | L | 77.2 | Confident | 66.5 | Low | 33 Ų | 33 | 81.4 Ų | 81.4 | 17% | 0.173 | 49% | 0.491 | C | S | . | . | trans | -83.4 | 131.6 | 175.7 | -67.9 | 170.8 | 0 | 0 | 0 | 109.8 | I24 Q28 Q34 | I24-L30 HydrophobicContact CD1-CD1 3.67Å; I24-L30 HydrophobicContact CG1-CD1 4.48Å; Q28-L30 PolarHBondContact O-N 3.47Å; L30-Q34 HydrophobicContact CB-CB 4.1Å; L30-Q34 HydrophobicContact CD2-CB 3.83Å; L30-Q34 HydrophobicContact CD2-CG 4.26Å; L30-Q34 HydrophobicContact CG-CB 4.47Å | ||
| 31 | T | 84.5 | Confident | 67.9 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | trans | -66 | 153.6 | 170.1 | 58 | 0 | 0 | 0 | 0 | 110.2 | A33 Q34 H35 | T31-A33 PolarHBondContact O-N 3.32Å; T31-Q34 WeakPolarHBondContact O-CA 3.39Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.23Å; T31-Q34 PolarHBondContact OG1-OE1 3.04Å; T31-H35 PolarHBondContact O-N 3.06Å; T31-H35 VanDerWaalsContact O-N 3.08Å | ||
| 32 | P | 72.6 | Confident | 69.5 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 49% | 0.494 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -51.6 | -32.7 | 175.1 | -28 | 34.9 | 0 | 0 | 0 | 113.6 | T21 H35 S36 | T21-P32 HydrophobicContact CG2-CG 4.49Å; P32-H35 PolarHBondContact O-N 2.88Å; P32-S36 PolarHBondContact O-N 3.47Å; P32-S36 VanDerWaalsContact O-N 3.09Å |
| 33 | A | 77.7 | Confident | 71.2 | Confident | 64 Ų | 64 | 82.2 Ų | 82.2 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T31 K37 | T31-A33 PolarHBondContact O-N 3.32Å; A33-K37 WeakPolarHBondContact O-CG 3.41Å; A33-K37 PolarHBondContact O-N 2.88Å |
| 34 | Q | 79.9 | Confident | 73 | Confident | 85 Ų | 85 | 81.9 Ų | 81.9 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.4 | -38.9 | 174.1 | -73.3 | 167.2 | -51.1 | 0 | 0 | 111.1 | L30 T31 S36 K37 T38 | L30-Q34 HydrophobicContact CB-CB 4.1Å; L30-Q34 HydrophobicContact CD2-CB 3.83Å; L30-Q34 HydrophobicContact CD2-CG 4.26Å; L30-Q34 HydrophobicContact CG-CB 4.47Å; T31-Q34 WeakPolarHBondContact O-CA 3.39Å; T31-Q34 WeakPolarHBondContact O-CB 3.49Å; T31-Q34 PolarHBondContact O-N 3.41Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.47Å; T31-Q34 PolarHBondContact OG1-N 3.23Å; T31-Q34 PolarHBondContact OG1-OE1 3.04Å; Q34-S36 VanDerWaalsContact C-N 3.33Å; Q34-S36 PolarHBondContact O-N 2.92Å; Q34-K37 PolarHBondContact O-N 3.46Å; Q34-T38 PolarHBondContact O-N 2.99Å; Q34-T38 PolarHBondContact O-OG1 2.67Å; Q34-T38 VanDerWaalsContact O-OG1 3.05Å |
| 35 | H | 74.9 | Confident | 74.6 | Confident | 41 Ų | 41 | 84.5 Ų | 84.5 | 19% | 0.19 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177.2 | -141.3 | -103.6 | 0 | 0 | 0 | 111.9 | S22 T31 P32 T38 F39 | S22-H35 PolarHBondContact OG-NE2 3.49Å; T31-H35 PolarHBondContact O-N 3.06Å; T31-H35 VanDerWaalsContact O-N 3.08Å; P32-H35 PolarHBondContact O-N 2.88Å; H35-T38 PolarHBondContact O-N 2.69Å; H35-F39 WeakPolarHBondContact O-CB 3.29Å; H35-F39 PolarHBondContact O-N 3.42Å |
| 36 | S | 77.2 | Confident | 75.6 | Confident | 63 Ų | 63 | 84.6 Ų | 84.6 | 44% | 0.441 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 112.6 | P32 Q34 F39 N40 | P32-S36 PolarHBondContact O-N 3.47Å; P32-S36 VanDerWaalsContact O-N 3.09Å; Q34-S36 VanDerWaalsContact C-N 3.33Å; Q34-S36 PolarHBondContact O-N 2.92Å; S36-F39 PolarHBondContact O-N 3.22Å; S36-N40 WeakPolarHBondContact O-CB 3.28Å; S36-N40 VanDerWaalsContact O-CG 3.28Å; S36-N40 PolarHBondContact O-N 2.64Å; S36-N40 PolarHBondContact O-ND2 3.41Å |
| 37 | K | 80.3 | Confident | 76.3 | Confident | 159 Ų | 159 | 81.3 Ų | 81.3 | 69% | 0.691 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.4 | -42.9 | 176.8 | -74.7 | -178.2 | 179.7 | -176.5 | 0 | 112.6 | A33 Q34 N40 A41 | A33-K37 WeakPolarHBondContact O-CG 3.41Å; A33-K37 PolarHBondContact O-N 2.88Å; Q34-K37 PolarHBondContact O-N 3.46Å; K37-N40 PolarHBondContact O-N 3.38Å; K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 2.03Å |
| 38 | T | 80 | Confident | 77.3 | Confident | 67 Ų | 67 | 85 Ų | 85 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 178.4 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | Q34 H35 A41 Q42 | Q34-T38 PolarHBondContact O-N 2.99Å; Q34-T38 PolarHBondContact O-OG1 2.67Å; Q34-T38 VanDerWaalsContact O-OG1 3.05Å; H35-T38 PolarHBondContact O-N 2.69Å; T38-A41 PolarHBondContact O-N 3.48Å; T38-Q42 WeakPolarHBondContact O-CG 3.21Å; T38-Q42 PolarHBondContact O-N 3.39Å |
| 39 | F | 78.8 | Confident | 78 | Confident | 60 Ų | 60 | 84 Ų | 84 | 26% | 0.263 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 176 | -176.6 | -98.2 | 0 | 0 | 0 | 112.2 | V16 H35 S36 A41 Q42 C43 | V16-F39 HydrophobicContact CG2-CZ 4.37Å; H35-F39 WeakPolarHBondContact O-CB 3.29Å; H35-F39 PolarHBondContact O-N 3.42Å; S36-F39 PolarHBondContact O-N 3.22Å; F39-A41 VanDerWaalsContact C-N 3.34Å; F39-A41 PolarHBondContact O-N 2.91Å; F39-Q42 PolarHBondContact O-N 3.19Å; F39-C43 PolarHBondContact O-N 3.19Å |
| 40 | N | 81.1 | Confident | 77.9 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 41% | 0.412 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 177 | -73.3 | -13.2 | 0 | 0 | 0 | 111.9 | S36 K37 Q42 C43 D44 | S36-N40 WeakPolarHBondContact O-CB 3.28Å; S36-N40 VanDerWaalsContact O-CG 3.28Å; S36-N40 PolarHBondContact O-N 2.64Å; S36-N40 PolarHBondContact O-ND2 3.41Å; K37-N40 PolarHBondContact O-N 3.38Å; N40-Q42 VanDerWaalsContact C-N 3.32Å; N40-Q42 PolarHBondContact O-N 2.98Å; N40-C43 PolarHBondContact O-N 2.63Å; N40-D44 PolarHBondContact O-N 3.11Å |
| 41 | A | 82.6 | Confident | 77.6 | Confident | 58 Ų | 58 | 88.7 Ų | 88.7 | 48% | 0.479 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K37 T38 F39 Q45 | K37-A41 WeakPolarHBondContact O-CB 3.39Å; K37-A41 PolarHBondContact O-N 2.03Å; T38-A41 PolarHBondContact O-N 3.48Å; F39-A41 VanDerWaalsContact C-N 3.34Å; F39-A41 PolarHBondContact O-N 2.91Å; A41-Q45 WeakPolarHBondContact O-CB 2.82Å; A41-Q45 PolarHBondContact O-N 2.98Å |
| 42 | Q | 80.8 | Confident | 76.9 | Confident | 121 Ų | 121 | 91.8 Ų | 91.8 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69 | -41.5 | 174 | -76.8 | -179.7 | -26.4 | 0 | 0 | 112.2 | T38 F39 N40 D44 Q45 F46 | T38-Q42 WeakPolarHBondContact O-CG 3.21Å; T38-Q42 PolarHBondContact O-N 3.39Å; F39-Q42 PolarHBondContact O-N 3.19Å; N40-Q42 VanDerWaalsContact C-N 3.32Å; N40-Q42 PolarHBondContact O-N 2.98Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.3Å; Q42-Q45 PolarHBondContact O-N 2.89Å; Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.44Å |
| 43 | C | 81.8 | Confident | 76.4 | Confident | 25 Ų | 25 | 94.2 Ų | 94.2 | 17% | 0.169 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 172.5 | -86.3 | 0 | 0 | 0 | 0 | 111.1 | C13 F39 N40 F46 A47 | C13-C43 HydrophobicContact CB-CB 4.12Å; C13-C43 WeakPolarHBondContact CB-SG 3.34Å; C13-C43 WeakPolarHBondContact SG-CB 3.27Å; C13-C43 CovalentContact SG-SG 2.08Å; C13-C43 PolarHBondContact SG-SG 3.36Å; F39-C43 PolarHBondContact O-N 3.19Å; N40-C43 PolarHBondContact O-N 2.63Å; C43-F46 PolarHBondContact O-N 3.35Å; C43-A47 WeakPolarHBondContact O-CB 3.45Å; C43-A47 PolarHBondContact O-N 2.96Å |
| 44 | D | 79.5 | Confident | 75 | Confident | 92 Ų | 92 | 94.4 Ų | 94.4 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -39 | 179 | -79.5 | -15.2 | 0 | 0 | 0 | 112.9 | N40 Q42 F46 K48 | N40-D44 PolarHBondContact O-N 3.11Å; Q42-D44 VanDerWaalsContact C-N 3.34Å; Q42-D44 PolarHBondContact O-N 3.3Å; D44-F46 VanDerWaalsContact C-N 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.38Å; D44-K48 VanDerWaalsContact O-N 3.09Å |
| 45 | Q | 80.6 | Confident | 73.3 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 176.5 | -167.9 | 179.1 | 2.1 | 0 | 0 | 111.3 | A41 Q42 K48 Q49 | A41-Q45 WeakPolarHBondContact O-CB 2.82Å; A41-Q45 PolarHBondContact O-N 2.98Å; Q42-Q45 PolarHBondContact O-N 2.89Å; Q45-K48 PolarHBondContact O-N 2.88Å; Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 PolarHBondContact O-N 2.81Å |
| 46 | F | 70.2 | Confident | 71.8 | Confident | 114 Ų | 114 | 101.3 Ų | 101.3 | 50% | 0.5 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -71.3 | -37.3 | 179 | -146.9 | -92.2 | 0 | 0 | 0 | 112.3 | Q42 C43 D44 Q49 Q50 | Q42-F46 WeakPolarHBondContact O-CB 3.3Å; Q42-F46 PolarHBondContact O-N 3.44Å; C43-F46 PolarHBondContact O-N 3.35Å; D44-F46 VanDerWaalsContact C-N 3.33Å; F46-Q49 PolarHBondContact O-N 3.06Å; F46-Q50 PolarHBondContact O-N 3.36Å; F46-Q50 VanDerWaalsContact O-N 3.11Å |
| 47 | A | 76.7 | Confident | 70 | Confident | 37 Ų | 37 | 104.3 Ų | 104.3 | 31% | 0.306 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.7 | -45.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C43 Q49 Q50 D51 | C43-A47 WeakPolarHBondContact O-CB 3.45Å; C43-A47 PolarHBondContact O-N 2.96Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 2.96Å; A47-Q50 PolarHBondContact O-N 3.03Å; A47-D51 PolarHBondContact O-N 3.33Å |
| 48 | K | 79.4 | Confident | 68.1 | Low | 147 Ų | 147 | 104.6 Ų | 104.6 | 64% | 0.639 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.4 | -32.1 | 175.4 | -72.7 | 174.2 | -179.1 | 174.8 | 0 | 113.2 | D44 Q45 N52 | D44-K48 WeakPolarHBondContact O-CG 3.45Å; D44-K48 PolarHBondContact O-N 3.38Å; D44-K48 VanDerWaalsContact O-N 3.09Å; Q45-K48 PolarHBondContact O-N 2.88Å; K48-N52 PolarHBondContact O-N 3.05Å |
| 49 | Q | 72.9 | Confident | 66.6 | Low | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.2 | -28.1 | 179.1 | -163.6 | 164.6 | 3.9 | 0 | 0 | 112.8 | Q45 F46 A47 N53 | Q45-Q49 WeakPolarHBondContact O-CB 3.29Å; Q45-Q49 PolarHBondContact O-N 2.81Å; F46-Q49 PolarHBondContact O-N 3.06Å; A47-Q49 VanDerWaalsContact C-N 3.3Å; A47-Q49 PolarHBondContact O-N 2.96Å; Q49-N53 PolarHBondContact O-ND2 3.4Å |
| 50 | Q | 66.8 | Low | 65.3 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.8 | -40.3 | 171.4 | -81.6 | -115.6 | -16.5 | 0 | 0 | 112.6 | F46 A47 N52 N53 | F46-Q50 PolarHBondContact O-N 3.36Å; F46-Q50 VanDerWaalsContact O-N 3.11Å; A47-Q50 PolarHBondContact O-N 3.03Å; Q50-N52 VanDerWaalsContact C-N 3.26Å; Q50-N52 PolarHBondContact O-N 3.4Å; Q50-N53 PolarHBondContact O-N 3.18Å |
| 51 | D | 71.1 | Confident | 63.8 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.8 | -27.6 | 179.5 | -79.9 | -23.5 | 0 | 0 | 0 | 113 | A47 | A47-D51 PolarHBondContact O-N 3.33Å |
| 52 | N | 69.8 | Low | 62.3 | Low | 136 Ų | 136 | 122.7 Ų | 122.7 | 73% | 0.727 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.9 | -16.3 | 177.5 | -76.4 | -21.5 | 0 | 0 | 0 | 114.2 | K48 Q50 G54 | K48-N52 PolarHBondContact O-N 3.05Å; Q50-N52 VanDerWaalsContact C-N 3.26Å; Q50-N52 PolarHBondContact O-N 3.4Å; N52-G54 PolarHBondContact O-N 3.24Å |
| 53 | N | 62.6 | Low | 61.1 | Low | 126 Ų | 126 | 120.1 Ų | 120.1 | 67% | 0.674 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -94.9 | 68.4 | 178.7 | -74.9 | -18.5 | 0 | 0 | 0 | 110.5 | Q49 Q50 | Q49-N53 PolarHBondContact O-ND2 3.4Å; Q50-N53 PolarHBondContact O-N 3.18Å |
| 54 | G | 48.7 | Very low | 59.8 | Low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | trans | -62.2 | 131 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N52 | N52-G54 PolarHBondContact O-N 3.24Š| ||
| 55 | A | 43.3 | Very low | 58.7 | Low | 104 Ų | 104 | 122.9 Ų | 122.9 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | trans | 65.9 | 70.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 56 | M | 43.4 | Very low | 57.6 | Low | 166 Ų | 166 | 119.5 Ų | 119.5 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | trans | -121.1 | 114.4 | 146.9 | -76.4 | -166.2 | -168.9 | 0 | 0 | 110.1 | F58 | M56-F58 HydrophobicContact CB-CD2 4.36Å; M56-F58 PolarHBondContact O-N 3.31Å; M56-F58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | S | 39.7 | Very low | 56.6 | Low | 127 Ų | 127 | 121.3 Ų | 121.3 | 89% | 0.888 | 66% | 0.66 | S | S | * | * | trans | -71.9 | 100 | 172 | 64.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | F | 41.4 | Very low | 56 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | trans | -101.7 | 127.7 | 168.4 | -101.7 | -88.6 | 0 | 0 | 0 | 110.8 | M56 | M56-F58 HydrophobicContact CB-CD2 4.36Å; M56-F58 PolarHBondContact O-N 3.31Å; M56-F58 VanDerWaalsContact O-N 3.13Å | ||
| 59 | S | 47 | Very low | 55.1 | Low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 67% | 0.665 | S | S | * | * | trans | -58.2 | 132.5 | 178 | -172.2 | 0 | 0 | 0 | 0 | 111 | H61 | S59-H61 PolarHBondContact O-N 2.94Š| ||
| 60 | R | 51.6 | Low | 54.7 | Low | 230 Ų | 230 | 119.5 Ų | 119.5 | 87% | 0.868 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 7.9 | -162.1 | -87 | -178.3 | 173.8 | -178.7 | -1 | 117.4 | ||
| 61 | H | 49.2 | Very low | 54.7 | Low | 158 Ų | 158 | 118.5 Ų | 118.5 | 73% | 0.731 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | -12.1 | -169.8 | -126.9 | -77.7 | 0 | 0 | 0 | 116.3 | S59 | S59-H61 PolarHBondContact O-N 2.94Š|
| 62 | E | 51.2 | Low | 54.1 | Low | 155 Ų | 155 | 114.1 Ų | 114.1 | 72% | 0.724 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -100.6 | -15 | -175.5 | -66 | -164.9 | 153.6 | 0 | 0 | 114.4 | ||
| 63 | S | 57.2 | Low | 53.4 | Low | 67 Ų | 67 | 110.3 Ų | 110.3 | 47% | 0.469 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -81.9 | -23.4 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | W67 | S63-W67 PolarHBondContact O-N 3.06Å |
| 64 | A | 52.8 | Low | 53.3 | Low | 69 Ų | 69 | 110.4 Ų | 110.4 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.1 | -33.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S68 | A64-S68 PolarHBondContact O-N 3.43Å |
| 65 | I | 56.7 | Low | 53.9 | Low | 106 Ų | 106 | 112.2 Ų | 112.2 | 54% | 0.544 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -76.7 | -40.4 | -178 | -58.9 | 174.5 | 0 | 0 | 0 | 110.2 | W67 S68 I69 | I65-W67 VanDerWaalsContact C-N 3.29Å; I65-W67 PolarHBondContact O-N 3.45Å; I65-S68 PolarHBondContact O-N 3.21Å; I65-S68 PolarHBondContact O-OG 2.95Å; I65-I69 HydrophobicContact CG2-CD1 4.4Å; I65-I69 PolarHBondContact O-N 3.11Å |
| 66 | A | 57 | Low | 54.5 | Low | 59 Ų | 59 | 112.9 Ų | 112.9 | 49% | 0.488 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.3 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 67 | W | 50.5 | Low | 55.2 | Low | 152 Ų | 152 | 111.2 Ų | 111.2 | 58% | 0.576 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73 | -32.9 | 176.4 | -85.5 | 62.4 | 0 | 0 | 0 | 113.4 | S63 I65 I71 | S63-W67 PolarHBondContact O-N 3.06Å; I65-W67 VanDerWaalsContact C-N 3.29Å; I65-W67 PolarHBondContact O-N 3.45Å; W67-I71 WeakPolarHBondContact O-CG1 3.02Å; W67-I71 PolarHBondContact O-N 2.97Å |
| 68 | S | 63.9 | Low | 56.1 | Low | 68 Ų | 68 | 108.6 Ų | 108.6 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70 | -32.7 | 179.1 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | A64 I65 A72 | A64-S68 PolarHBondContact O-N 3.43Å; I65-S68 PolarHBondContact O-N 3.21Å; I65-S68 PolarHBondContact O-OG 2.95Å; S68-A72 PolarHBondContact O-N 2.77Å |
| 69 | I | 60.5 | Low | 56.5 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.8 | -37.2 | -178.9 | -63 | 171.4 | 0 | 0 | 0 | 111.2 | I65 A72 A73 | I65-I69 HydrophobicContact CG2-CD1 4.4Å; I65-I69 PolarHBondContact O-N 3.11Å; I69-A72 PolarHBondContact O-N 3.06Å; I69-A73 WeakPolarHBondContact O-CB 2.93Å; I69-A73 PolarHBondContact O-N 2.99Å |
| 70 | S | 63.7 | Low | 56.2 | Low | 77 Ų | 77 | 107.3 Ų | 107.3 | 54% | 0.538 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.8 | -34.6 | 177.2 | -72 | 0 | 0 | 0 | 0 | 113.3 | L74 | S70-L74 PolarHBondContact O-N 3.47Å |
| 71 | I | 66.8 | Low | 56 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 51% | 0.508 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72 | -38.5 | 176.4 | -64.4 | 171.3 | 0 | 0 | 0 | 110.7 | W67 L74 L75 | W67-I71 WeakPolarHBondContact O-CG1 3.02Å; W67-I71 PolarHBondContact O-N 2.97Å; I71-L74 PolarHBondContact O-N 3.14Å; I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.3Å; I71-L75 PolarHBondContact O-N 3.29Å |
| 72 | A | 58.6 | Low | 55.7 | Low | 52 Ų | 52 | 105.1 Ų | 105.1 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.3 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S68 I69 L74 L75 V76 | S68-A72 PolarHBondContact O-N 2.77Å; I69-A72 PolarHBondContact O-N 3.06Å; A72-L74 PolarHBondContact O-N 2.93Å; A72-L75 PolarHBondContact O-N 2.98Å; A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 2.8Å; A72-V76 VanDerWaalsContact O-N 3.15Å |
| 73 | A | 56.7 | Low | 55.9 | Low | 57 Ų | 57 | 103 Ų | 103 | 47% | 0.471 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.1 | -35 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | I69 V77 | I69-A73 WeakPolarHBondContact O-CB 2.93Å; I69-A73 PolarHBondContact O-N 2.99Å; A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.81Å |
| 74 | L | 60 | Low | 55.2 | Low | 128 Ų | 128 | 104.7 Ų | 104.7 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.3 | -30.5 | 175.4 | -82.2 | 160.1 | 0 | 0 | 0 | 113.1 | S70 I71 A72 S78 | S70-L74 PolarHBondContact O-N 3.47Å; I71-L74 PolarHBondContact O-N 3.14Å; A72-L74 PolarHBondContact O-N 2.93Å; L74-S78 PolarHBondContact O-OG 2.01Å |
| 75 | L | 60.8 | Low | 54.7 | Low | 107 Ų | 107 | 108.6 Ų | 108.6 | 56% | 0.56 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.5 | -29 | 177.1 | -72.3 | 169.3 | 0 | 0 | 0 | 113.1 | I71 A72 S78 | I71-L75 HydrophobicContact CG2-CD1 4.22Å; I71-L75 WeakPolarHBondContact O-CG 3.3Å; I71-L75 PolarHBondContact O-N 3.29Å; A72-L75 PolarHBondContact O-N 2.98Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 2.65Å |
| 76 | V | 56.4 | Low | 54.5 | Low | 118 Ų | 118 | 113.1 Ų | 113.1 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.8 | -26.8 | 176.3 | 174.8 | 0 | 0 | 0 | 0 | 112.2 | A72 S78 | A72-V76 WeakPolarHBondContact O-CG2 3.42Å; A72-V76 PolarHBondContact O-N 2.8Å; A72-V76 VanDerWaalsContact O-N 3.15Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.91Å |
| 77 | V | 57.2 | Low | 54.1 | Low | 131 Ų | 131 | 119.4 Ų | 119.4 | 79% | 0.794 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -17.2 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | A73 | A73-V77 WeakPolarHBondContact O-CG2 3.37Å; A73-V77 PolarHBondContact O-N 2.81Å |
| 78 | S | 58.3 | Low | 54.3 | Low | 71 Ų | 71 | 121.8 Ų | 121.8 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | -3.5 | -174.9 | 34 | 0 | 0 | 0 | 0 | 114.7 | L74 L75 V76 | L74-S78 PolarHBondContact O-OG 2.01Å; L75-S78 WeakPolarHBondContact CA-OG 3.38Å; L75-S78 PolarHBondContact O-OG 2.65Å; V76-S78 VanDerWaalsContact C-N 3.3Å; V76-S78 PolarHBondContact O-N 2.91Å |
| 79 | H | 50.2 | Low | 54 | Low | 165 Ų | 165 | 127.3 Ų | 127.3 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | trans | -127.7 | 77.8 | -178.9 | -69.2 | 11.1 | 0 | 0 | 0 | 111.3 | ||||
| 80 | G | 41.2 | Very low | 53.2 | Low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -153.7 | 70.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 81 | I | 46.2 | Very low | 52.7 | Low | 170 Ų | 170 | 132.6 Ų | 132.6 | 87% | 0.872 | 73% | 0.732 | S | S | * | * | trans | -136.5 | 114 | 170.3 | -57 | 178.3 | 0 | 0 | 0 | 108.1 | ||||
| 82 | L | 43.4 | Very low | 51.7 | Low | 171 Ų | 171 | 134.5 Ų | 134.5 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | -130.6 | 135 | 161.8 | -97.9 | 156.7 | 0 | 0 | 0 | 107.7 | ||||
| 83 | P | 55.5 | Low | 50.8 | Low | 110 Ų | 110 | 140 Ų | 140 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | trans | -92 | 161.4 | -164.3 | 37.1 | -34 | 0 | 0 | 0 | 112.7 | ||||
| 84 | P | 43 | Very low | 50.3 | Low | 104 Ų | 104 | 144 Ų | 144 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | trans | -101.1 | 162.3 | 173 | 39.4 | -31.6 | 0 | 0 | 0 | 113 | ||||
| 85 | N | 42.8 | Very low | 49.4 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 90.6 | 116.6 | 157.4 | -52.8 | -20.5 | 0 | 0 | 0 | 118.8 | ||||
| 86 | K | 52.2 | Low | 48.7 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -153.6 | 115.6 | 133.2 | -102 | 171.5 | -168.7 | -173.9 | 0 | 109.9 | ||||
| 87 | E | 49 | Very low | 48.3 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -85.3 | 141.2 | 176.7 | -162.4 | 166.8 | -158.7 | 0 | 0 | 108.5 | ||||
| 88 | F | 53.6 | Low | 47.7 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | -135.8 | 127.4 | 172.2 | -103.5 | -83.3 | 0 | 0 | 0 | 109.6 | ||||
| 89 | E | 56.8 | Low | 47.3 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 157.5 | 175.1 | -79.3 | -160.2 | 139.5 | 0 | 0 | 114 | ||
| 90 | P | 44.5 | Very low | 47.1 | Very low | 128 Ų | 128 | 149.6 Ų | 149.6 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 138.3 | 171.3 | 36.1 | -26.4 | 0 | 0 | 0 | 112.9 | ||
| 91 | L | 52.9 | Low | 47.3 | Very low | 172 Ų | 172 | 155.6 Ų | 155.6 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 145.8 | 173 | -160.9 | 74.4 | 0 | 0 | 0 | 112.2 | ||
| 92 | E | 46.2 | Very low | 47.1 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 151.9 | -174.8 | -97.8 | -179.3 | 119.4 | 0 | 0 | 121.6 | ||
| 93 | K | 40.8 | Very low | 47.2 | Very low | 168 Ų | 168 | 153.7 Ų | 153.7 | 73% | 0.73 | 79% | 0.793 | S | S | * | * | trans | 48.6 | 124.5 | 136.7 | -75.2 | 174.8 | -179.5 | 148.2 | 0 | 120.7 | ||||
| 94 | T | 45.2 | Very low | 46.9 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | -154.4 | 133.6 | 110.3 | -20.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 95 | T | 40.6 | Very low | 46.9 | Very low | 115 Ų | 115 | 158.8 Ų | 158.8 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 139.5 | 168.3 | 35.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 96 | H | 46.9 | Very low | 47 | Very low | 157 Ų | 157 | 156 Ų | 156 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 173.5 | 141.9 | 113.1 | -112.4 | -91.2 | 0 | 0 | 0 | 113.5 | |||||
| 97 | D | 46.8 | Very low | 46.6 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 81.1 | 132.4 | 147.4 | -69.9 | -34.3 | 0 | 0 | 0 | 124.9 | ||||
| 98 | A | 44.6 | Very low | 46.4 | Very low | 92 Ų | 92 | 151.8 Ų | 151.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -78.9 | 154.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 99 | D | 50.9 | Low | 46.4 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | -174.2 | 161.3 | 99.5 | -144.4 | -14.3 | 0 | 0 | 0 | 111 | |||||
| 100 | K | 46 | Very low | 46.2 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -53.2 | 141.2 | -173.5 | -63 | 151 | 179.3 | 169.3 | 0 | 115.1 | ||||
| 101 | Q | 44.4 | Very low | 46.6 | Very low | 199 Ų | 199 | 146 Ų | 146 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | -153.6 | 138 | 122.1 | -127 | 164.5 | 5.8 | 0 | 0 | 114.3 | |||||
| 102 | K | 42.1 | Very low | 46.8 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | trans | -81.3 | 159.6 | -178.7 | -165 | 178.1 | -172.7 | -176.9 | 0 | 108.1 | ||||
| 103 | V | 46.7 | Very low | 47.6 | Very low | 109 Ų | 109 | 141 Ų | 141 | 66% | 0.661 | 76% | 0.755 | S | S | * | * | trans | 121.5 | 117.6 | 147 | -176.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 104 | H | 48 | Very low | 49 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 74.4 | 98 | 154.1 | -63.1 | -38 | 0 | 0 | 0 | 123.4 | ||||
| 105 | N | 43.8 | Very low | 49.9 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | 42.8 | 104 | 106.3 | -152.9 | 32.1 | 0 | 0 | 0 | 119.6 | |||||
| 106 | A | 44.5 | Very low | 51.2 | Low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | -172 | 122.8 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | D108 | A106-D108 PolarHBondContact O-N 2.88Š| ||
| 107 | N | 44.7 | Very low | 52.5 | Low | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -77.2 | 109.2 | 172.4 | -77.2 | -38.3 | 0 | 0 | 0 | 109.6 | ||||
| 108 | D | 44.8 | Very low | 53.7 | Low | 150 Ų | 150 | 135 Ų | 135 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -105.3 | 108.3 | 161 | -97 | -32.6 | 0 | 0 | 0 | 109.5 | A106 I110 | A106-D108 PolarHBondContact O-N 2.88Å; D108-I110 VanDerWaalsContact C-N 3.31Å; D108-I110 PolarHBondContact O-N 2.93Å; D108-I110 VanDerWaalsContact O-N 3.11Å | ||
| 109 | I | 52.3 | Low | 54.6 | Low | 159 Ų | 159 | 133.7 Ų | 133.7 | 82% | 0.815 | 69% | 0.693 | S | S | * | * | trans | -78.8 | 87.8 | 168.5 | -60.4 | 174.2 | 0 | 0 | 0 | 106.2 | P111 | I109-P111 WeakPolarHBondContact O-CD 3.23Š| ||
| 110 | I | 53.3 | Low | 55.5 | Low | 140 Ų | 140 | 133.3 Ų | 133.3 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -70.2 | 116.3 | 167.7 | -59.7 | 174.8 | 0 | 0 | 0 | 106.8 | D108 N112 | D108-I110 VanDerWaalsContact C-N 3.31Å; D108-I110 PolarHBondContact O-N 2.93Å; D108-I110 VanDerWaalsContact O-N 3.11Å; I110-N112 PolarHBondContact O-N 2.82Å | ||
| 111 | P | 54 | Low | 56.6 | Low | 95 Ų | 95 | 129.9 Ų | 129.9 | 62% | 0.617 | 67% | 0.674 | S | S | * | * | trans | -64.4 | 127 | 174.9 | 25.9 | -30.2 | 0 | 0 | 0 | 108.5 | I109 T113 | I109-P111 WeakPolarHBondContact O-CD 3.23Å; P111-T113 PolarHBondContact O-N 3.29Å | ||
| 112 | N | 56.1 | Low | 57.5 | Low | 102 Ų | 102 | 125.3 Ų | 125.3 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | trans | -56.7 | 112.3 | -178.6 | -157.2 | -4.2 | 0 | 0 | 0 | 108.9 | I110 R114 D115 | I110-N112 PolarHBondContact O-N 2.82Å; N112-R114 PolarHBondContact O-N 2.9Å; N112-D115 PolarHBondContact O-N 2.84Å | ||
| 113 | T | 62.4 | Low | 58.4 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 62% | 0.62 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -54.8 | -28.4 | -171.2 | -7.8 | 0 | 0 | 0 | 0 | 112.4 | P111 D115 V116 E117 | P111-T113 PolarHBondContact O-N 3.29Å; T113-D115 VanDerWaalsContact C-N 3.34Å; T113-D115 PolarHBondContact O-N 3.03Å; T113-V116 PolarHBondContact O-N 3.43Å; T113-E117 PolarHBondContact O-N 3.41Å |
| 114 | R | 70.1 | Confident | 59 | Low | 192 Ų | 192 | 118.3 Ų | 118.3 | 73% | 0.725 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62 | -33.3 | 174.3 | -77.6 | -176.9 | -179.7 | 157.6 | 1.8 | 114.2 | N112 N118 | N112-R114 PolarHBondContact O-N 2.9Å; R114-N118 VanDerWaalsContact O-CB 3.27Å; R114-N118 WeakPolarHBondContact O-CB 3.48Å; R114-N118 PolarHBondContact O-N 2.98Å |
| 115 | D | 63.7 | Low | 59.4 | Low | 102 Ų | 102 | 114.4 Ų | 114.4 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.1 | -32.4 | -177.8 | -73.1 | -36.9 | 0 | 0 | 0 | 112 | N112 T113 T119 | N112-D115 PolarHBondContact O-N 2.84Å; T113-D115 VanDerWaalsContact C-N 3.34Å; T113-D115 PolarHBondContact O-N 3.03Å; D115-T119 WeakPolarHBondContact O-CB 3.49Å; D115-T119 PolarHBondContact O-N 2.94Å; D115-T119 PolarHBondContact O-OG1 3.36Å |
| 116 | V | 69.7 | Low | 59.9 | Low | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.485 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.3 | -46.7 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | T113 N118 T119 Q120 | T113-V116 PolarHBondContact O-N 3.43Å; V116-N118 PolarHBondContact O-N 3.31Å; V116-T119 PolarHBondContact O-N 3.34Å; V116-Q120 WeakPolarHBondContact O-CB 3.5Å; V116-Q120 PolarHBondContact O-N 2.91Å |
| 117 | E | 72.8 | Confident | 59.9 | Low | 132 Ų | 132 | 111.6 Ų | 111.6 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.5 | -42.6 | 176.6 | -70.5 | 176.8 | 166.2 | 0 | 0 | 112.1 | T113 T119 Q120 H121 | T113-E117 PolarHBondContact O-N 3.41Å; E117-T119 VanDerWaalsContact C-N 3.3Å; E117-T119 PolarHBondContact O-N 3.41Å; E117-Q120 PolarHBondContact O-N 3.45Å; E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.34Å; E117-H121 PolarHBondContact O-N 2.02Å |
| 118 | N | 72.1 | Confident | 60 | Low | 95 Ų | 95 | 110.8 Ų | 110.8 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.5 | -30.7 | 179.2 | -153.5 | 14.7 | 0 | 0 | 0 | 112.1 | R114 V116 Q122 | R114-N118 VanDerWaalsContact O-CB 3.27Å; R114-N118 WeakPolarHBondContact O-CB 3.48Å; R114-N118 PolarHBondContact O-N 2.98Å; V116-N118 PolarHBondContact O-N 3.31Å; N118-Q122 WeakPolarHBondContact O-CB 3.45Å; N118-Q122 VanDerWaalsContact O-CG 3.29Å; N118-Q122 WeakPolarHBondContact O-CG 3.2Å; N118-Q122 PolarHBondContact O-N 3.06Å |
| 119 | T | 64.8 | Low | 60.1 | Low | 65 Ų | 65 | 112 Ų | 112 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -73.6 | -42.5 | 173.9 | -51.8 | 0 | 0 | 0 | 0 | 111.3 | D115 V116 E117 H121 Q122 I123 | D115-T119 WeakPolarHBondContact O-CB 3.49Å; D115-T119 PolarHBondContact O-N 2.94Å; D115-T119 PolarHBondContact O-OG1 3.36Å; V116-T119 PolarHBondContact O-N 3.34Å; E117-T119 VanDerWaalsContact C-N 3.3Å; E117-T119 PolarHBondContact O-N 3.41Å; T119-H121 VanDerWaalsContact C-N 3.33Å; T119-H121 PolarHBondContact O-N 3.31Å; T119-Q122 PolarHBondContact O-N 3.38Å; T119-I123 HydrophobicContact CG2-CD1 4.15Å; T119-I123 VanDerWaalsContact O-CG1 3.29Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.48Å |
| 120 | Q | 68.8 | Low | 59.5 | Low | 134 Ų | 134 | 112.2 Ų | 112.2 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.2 | -42.4 | 174.9 | -155.2 | 97.7 | -2.7 | 0 | 0 | 111.1 | V116 E117 I123 A124 | V116-Q120 WeakPolarHBondContact O-CB 3.5Å; V116-Q120 PolarHBondContact O-N 2.91Å; E117-Q120 PolarHBondContact O-N 3.45Å; Q120-I123 PolarHBondContact O-N 3.42Å; Q120-A124 PolarHBondContact O-N 3.15Å |
| 121 | H | 69 | Low | 58.8 | Low | 114 Ų | 114 | 110.1 Ų | 110.1 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.7 | -40.7 | 177.3 | -173.7 | -111.1 | 0 | 0 | 0 | 112.3 | E117 T119 A124 L125 | E117-H121 VanDerWaalsContact O-CB 3.28Å; E117-H121 WeakPolarHBondContact O-CB 3.34Å; E117-H121 PolarHBondContact O-N 2.02Å; T119-H121 VanDerWaalsContact C-N 3.33Å; T119-H121 PolarHBondContact O-N 3.31Å; H121-A124 PolarHBondContact O-N 3.19Å; H121-L125 WeakPolarHBondContact O-CB 2.95Å; H121-L125 WeakPolarHBondContact O-CG 2.92Å; H121-L125 PolarHBondContact O-N 3.23Å |
| 122 | Q | 63.1 | Low | 58.2 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -36.9 | 173.7 | -81.2 | -97.3 | 0.4 | 0 | 0 | 113.1 | N118 T119 N126 | N118-Q122 WeakPolarHBondContact O-CB 3.45Å; N118-Q122 VanDerWaalsContact O-CG 3.29Å; N118-Q122 WeakPolarHBondContact O-CG 3.2Å; N118-Q122 PolarHBondContact O-N 3.06Å; T119-Q122 PolarHBondContact O-N 3.38Å; Q122-N126 PolarHBondContact O-N 2.73Å; Q122-N126 PolarHBondContact O-ND2 2.89Å |
| 123 | I | 60.6 | Low | 57.5 | Low | 105 Ų | 105 | 115 Ų | 115 | 54% | 0.538 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.8 | -46.6 | 174.9 | -68.5 | 165.7 | 0 | 0 | 0 | 109.8 | T119 Q120 L125 N126 D127 | T119-I123 HydrophobicContact CG2-CD1 4.15Å; T119-I123 VanDerWaalsContact O-CG1 3.29Å; T119-I123 WeakPolarHBondContact O-CG1 3.4Å; T119-I123 PolarHBondContact O-N 3.48Å; Q120-I123 PolarHBondContact O-N 3.42Å; I123-L125 PolarHBondContact O-N 3.03Å; I123-N126 PolarHBondContact O-N 2.81Å; I123-D127 PolarHBondContact O-N 2.91Å |
| 124 | A | 61.2 | Low | 56.4 | Low | 48 Ų | 48 | 120.6 Ų | 120.6 | 40% | 0.397 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -60.1 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q120 H121 N126 D127 H128 | Q120-A124 PolarHBondContact O-N 3.15Å; H121-A124 PolarHBondContact O-N 3.19Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 2.82Å; A124-D127 WeakPolarHBondContact O-CB 3.31Å; A124-D127 PolarHBondContact O-N 2.82Å; A124-H128 PolarHBondContact O-CD2 3.07Å; A124-H128 PolarHBondContact O-N 3.48Å |
| 125 | L | 56.5 | Low | 54.8 | Low | 90 Ų | 90 | 119.2 Ų | 119.2 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.2 | -36.5 | 176.5 | -77.9 | 169.3 | 0 | 0 | 0 | 112.9 | H121 I123 R129 | H121-L125 WeakPolarHBondContact O-CB 2.95Å; H121-L125 WeakPolarHBondContact O-CG 2.92Å; H121-L125 PolarHBondContact O-N 3.23Å; I123-L125 PolarHBondContact O-N 3.03Å; L125-R129 PolarHBondContact O-N 2.87Å |
| 126 | N | 52.4 | Low | 53.7 | Low | 64 Ų | 64 | 119.4 Ų | 119.4 | 34% | 0.342 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -75.4 | -31 | 176.6 | -75.2 | -42.7 | 0 | 0 | 0 | 112.5 | Q122 I123 A124 H128 R129 F130 | Q122-N126 PolarHBondContact O-N 2.73Å; Q122-N126 PolarHBondContact O-ND2 2.89Å; I123-N126 PolarHBondContact O-N 2.81Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 2.82Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.72Å; N126-R129 WeakPolarHBondContact O-CA 3.42Å; N126-R129 WeakPolarHBondContact O-CB 3.38Å; N126-R129 PolarHBondContact O-N 2.9Å; N126-F130 WeakPolarHBondContact O-CD2 3.47Å; N126-F130 PolarHBondContact O-N 2.99Å |
| 127 | D | 46 | Very low | 52.1 | Low | 117 Ų | 117 | 123.7 Ų | 123.7 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61 | -38 | 173 | -127.6 | 23.5 | 0 | 0 | 0 | 111.4 | I123 A124 R129 F130 N131 | I123-D127 PolarHBondContact O-N 2.91Å; A124-D127 WeakPolarHBondContact O-CB 3.31Å; A124-D127 PolarHBondContact O-N 2.82Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.39Å; D127-F130 PolarHBondContact O-N 2.77Å; D127-N131 PolarHBondContact O-N 2.72Å |
| 128 | H | 46.9 | Very low | 50.3 | Low | 139 Ų | 139 | 124.8 Ų | 124.8 | 64% | 0.644 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.1 | -28.5 | 170.7 | -72.7 | -65.8 | 0 | 0 | 0 | 113.4 | A124 N126 N131 | A124-H128 PolarHBondContact O-CD2 3.07Å; A124-H128 PolarHBondContact O-N 3.48Å; N126-H128 VanDerWaalsContact C-N 3.27Å; N126-H128 PolarHBondContact O-N 2.72Å; H128-N131 VanDerWaalsContact O-CB 3.31Å; H128-N131 WeakPolarHBondContact O-CB 3.47Å; H128-N131 PolarHBondContact O-N 3.22Å |
| 129 | R | 46.2 | Very low | 48.8 | Very low | 176 Ų | 176 | 126.2 Ų | 126.2 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.3 | -22 | -179.6 | -150.7 | 175.1 | 176.8 | 178.8 | -0.1 | 112.9 | L125 N126 D127 F132 | L125-R129 PolarHBondContact O-N 2.87Å; N126-R129 WeakPolarHBondContact O-CA 3.42Å; N126-R129 WeakPolarHBondContact O-CB 3.38Å; N126-R129 PolarHBondContact O-N 2.9Å; D127-R129 VanDerWaalsContact C-N 3.28Å; D127-R129 PolarHBondContact O-N 3.39Å; R129-F132 WeakPolarHBondContact O-CD2 3.2Å; R129-F132 WeakPolarHBondContact O-CE2 3.32Å |
| 130 | F | 40.7 | Very low | 47.7 | Very low | 162 Ų | 162 | 132.9 Ų | 132.9 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 2.5 | 168.8 | -68.4 | -70.5 | 0 | 0 | 0 | 113.5 | N126 D127 F132 | N126-F130 WeakPolarHBondContact O-CD2 3.47Å; N126-F130 PolarHBondContact O-N 2.99Å; D127-F130 PolarHBondContact O-N 2.77Å; F130-F132 PolarHBondContact O-N 3.49Å |
| 131 | N | 38.5 | Very low | 46.5 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 51% | 0.513 | 65% | 0.652 | S | S | . | * | trans | -80.9 | 54.9 | 177.9 | -134.2 | -23.5 | 0 | 0 | 0 | 111.7 | D127 H128 N133 | D127-N131 PolarHBondContact O-N 2.72Å; H128-N131 VanDerWaalsContact O-CB 3.31Å; H128-N131 WeakPolarHBondContact O-CB 3.47Å; H128-N131 PolarHBondContact O-N 3.22Å; N131-N133 PolarHBondContact O-N 2.97Å; N131-N133 VanDerWaalsContact O-N 3.17Å | ||
| 132 | F | 40.5 | Very low | 45.7 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 77% | 0.768 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 13.6 | 179.7 | -88.6 | -79.6 | 0 | 0 | 0 | 114.3 | R129 F130 | R129-F132 WeakPolarHBondContact O-CD2 3.2Å; R129-F132 WeakPolarHBondContact O-CE2 3.32Å; F130-F132 PolarHBondContact O-N 3.49Å |
| 133 | N | 40.5 | Very low | 45 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 8.6 | -173.9 | -72.1 | -27.3 | 0 | 0 | 0 | 115.1 | N131 | N131-N133 PolarHBondContact O-N 2.97Å; N131-N133 VanDerWaalsContact O-N 3.17Å |
| 134 | R | 40.3 | Very low | 44.4 | Very low | 220 Ų | 220 | 141.2 Ų | 141.2 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -111.6 | 2.5 | -169.9 | -155.7 | 168.6 | 177.2 | -178.9 | -0.8 | 117.3 | ||
| 135 | I | 36.8 | Very low | 43.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -128.5 | 78.6 | -177.6 | -49.6 | 177.4 | 0 | 0 | 0 | 111.2 | ||||
| 136 | V | 39.3 | Very low | 43.5 | Very low | 107 Ų | 107 | 148.3 Ų | 148.3 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | trans | -148 | 50.9 | 154.2 | -166.4 | 0 | 0 | 0 | 0 | 108.6 | R182 | V136-R182 PolarHBondContact O-NH1 2.81Å; V136-R182 PolarHBondContact O-NH2 2.84Å | ||
| 137 | E | 37.4 | Very low | 43.5 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 144.9 | 157.4 | -87.5 | -177.1 | 145.6 | 0 | 0 | 108.3 | ||||
| 138 | L | 35.5 | Very low | 43.8 | Very low | 155 Ų | 155 | 151 Ų | 151 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 97.1 | 63.2 | 174.3 | -49.7 | 164 | 0 | 0 | 0 | 117.1 | ||
| 139 | T | 39.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | -178.6 | 110.4 | 127.4 | 19.8 | 0 | 0 | 0 | 0 | 108.8 | P141 | T139-P141 WeakPolarHBondContact O-CD 3.22Š| |||
| 140 | K | 42.2 | Very low | 44.7 | Very low | 205 Ų | 205 | 144.4 Ų | 144.4 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -68 | 123.1 | 169.7 | -70.2 | 178.3 | 178.6 | 177.7 | 0 | 107.5 | K142 | K140-K142 PolarHBondContact O-N 3.01Š| ||
| 141 | P | 43.5 | Very low | 45.2 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 123.3 | 166.2 | 25.2 | -29.2 | 0 | 0 | 0 | 107.7 | T139 T143 | T139-P141 WeakPolarHBondContact O-CD 3.22Å; P141-T143 PolarHBondContact O-N 3.17Å; P141-T143 VanDerWaalsContact O-N 3.08Å | ||
| 142 | K | 52.5 | Low | 46.1 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -58.1 | 113.1 | 173.3 | -167.8 | 173.5 | -177 | 177.9 | 0 | 106.9 | K140 L144 | K140-K142 PolarHBondContact O-N 3.01Å; K142-L144 PolarHBondContact O-N 2.89Å | ||
| 143 | T | 47.3 | Very low | 46.9 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -50.2 | 101.7 | 175.5 | 33.9 | 0 | 0 | 0 | 0 | 110.1 | P141 | P141-T143 PolarHBondContact O-N 3.17Å; P141-T143 VanDerWaalsContact O-N 3.08Å | ||
| 144 | L | 49.8 | Very low | 48.2 | Very low | 174 Ų | 174 | 144 Ų | 144 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -75.7 | 130.5 | 161.7 | -94.7 | 156.6 | 0 | 0 | 0 | 107.8 | K142 | K142-L144 PolarHBondContact O-N 2.89Š| ||
| 145 | A | 49.4 | Very low | 50 | Low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | -63.3 | 133.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113 | S147 | A145-S147 PolarHBondContact O-N 2.84Š| ||
| 146 | Q | 47.9 | Very low | 52.4 | Low | 200 Ų | 200 | 130 Ų | 130 | 94% | 0.935 | 71% | 0.713 | S | S | * | * | trans | 23.4 | 94.1 | 144.1 | -73.1 | 170.7 | -17.2 | 0 | 0 | 116.8 | ||||
| 147 | S | 53.1 | Low | 54.8 | Low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -119.1 | 129.2 | 147.3 | 75.7 | 0 | 0 | 0 | 0 | 108.8 | A145 S149 | A145-S147 PolarHBondContact O-N 2.84Å; S147-S149 PolarHBondContact O-N 3.33Å | ||
| 148 | S | 51.7 | Low | 57.6 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 90% | 0.895 | 68% | 0.68 | S | S | * | * | trans | -80.9 | 65.3 | -164.8 | 54.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 149 | S | 57.3 | Low | 60.4 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 50% | 0.497 | 66% | 0.659 | S | S | . | * | trans | -106.8 | 116.8 | 168.2 | 70.1 | 0 | 0 | 0 | 0 | 111.1 | S147 F151 | S147-S149 PolarHBondContact O-N 3.33Å; S149-F151 VanDerWaalsContact C-N 3.27Å; S149-F151 PolarHBondContact O-N 3.2Å; S149-F151 VanDerWaalsContact O-N 3.08Å | ||
| 150 | P | 54.1 | Low | 63 | Low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 28.2 | -169.1 | 31.6 | -34.7 | 0 | 0 | 0 | 115.6 | ||
| 151 | F | 53 | Low | 65.6 | Low | 181 Ų | 181 | 113.8 Ų | 113.8 | 79% | 0.794 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 6.5 | -173.4 | -65.8 | -68.2 | 0 | 0 | 0 | 117.5 | S149 V153 | S149-F151 VanDerWaalsContact C-N 3.27Å; S149-F151 PolarHBondContact O-N 3.2Å; S149-F151 VanDerWaalsContact O-N 3.08Å; F151-V153 PolarHBondContact O-N 3.49Å |
| 152 | N | 55.8 | Low | 68.1 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 57% | 0.572 | 61% | 0.61 | S | S | * | * | trans | -84.5 | 62 | 170 | -69.2 | -17.8 | 0 | 0 | 0 | 110.6 | Y154 | N152-Y154 HydrophobicContact CB-CD2 4.07Å; N152-Y154 HydrophobicContact CB-CE2 3.63Å; N152-Y154 VanDerWaalsContact O-CD2 3.26Å; N152-Y154 WeakPolarHBondContact O-CD2 3.39Å; N152-Y154 PolarHBondContact O-N 3.38Å | ||
| 153 | V | 58.7 | Low | 70.1 | Confident | 110 Ų | 110 | 109.5 Ų | 109.5 | 67% | 0.667 | 61% | 0.609 | S | S | * | * | trans | -73.2 | 91.6 | 164.8 | -165.3 | 0 | 0 | 0 | 0 | 106.2 | F151 T155 | F151-V153 PolarHBondContact O-N 3.49Å; V153-T155 HydrophobicContact CB-CG2 4.43Å; V153-T155 HydrophobicContact CG1-CG2 3.5Å; V153-T155 VanDerWaalsContact CG1-CG2 3.5Å; V153-T155 PolarHBondContact O-N 3.24Å | ||
| 154 | Y | 66.7 | Low | 72.4 | Confident | 151 Ų | 151 | 106 Ų | 106 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | trans | -66.2 | 69.4 | 173.1 | -73.7 | -76.4 | 0 | 0 | 0 | 109.8 | N152 I181 | N152-Y154 HydrophobicContact CB-CD2 4.07Å; N152-Y154 HydrophobicContact CB-CE2 3.63Å; N152-Y154 VanDerWaalsContact O-CD2 3.26Å; N152-Y154 WeakPolarHBondContact O-CD2 3.39Å; N152-Y154 PolarHBondContact O-N 3.38Å; Y154-I181 VanDerWaalsContact C-CD1 3.46Å; Y154-I181 HydrophobicContact CD1-CD1 3.93Å; Y154-I181 HydrophobicContact CD1-CG1 4.01Å; Y154-I181 HydrophobicContact CG-CD1 4.33Å | ||
| 155 | T | 78 | Confident | 74.5 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 44% | 0.436 | 55% | 0.55 | S | S | . | * | trans | -88.7 | 144.6 | 166.8 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | V153 I157 I181 | V153-T155 HydrophobicContact CB-CG2 4.43Å; V153-T155 HydrophobicContact CG1-CG2 3.5Å; V153-T155 VanDerWaalsContact CG1-CG2 3.5Å; V153-T155 PolarHBondContact O-N 3.24Å; T155-I157 WeakPolarHBondContact O-CG1 3.42Å; T155-I157 PolarHBondContact O-N 2.89Å; T155-I181 WeakPolarHBondContact O-CD1 3.46Å | ||
| 156 | S | 87.7 | Confident | 76.5 | Confident | 16 Ų | 16 | 103.1 Ų | 103.1 | 11% | 0.112 | 56% | 0.556 | C | S | . | * | trans | -57.5 | 120.2 | 165 | 46.4 | 0 | 0 | 0 | 0 | 109.9 | S179 H184 H185 C186 | S156-S179 WeakPolarHBondContact CA-O 3.31Å; S156-H184 WeakPolarHBondContact CB-O 3.37Å; S156-H185 PolarHBondContact OG-O 3.34Å; S156-C186 PolarHBondContact OG-N 2.02Å | ||
| 157 | I | 90.6 | Very high | 78.7 | Confident | 106 Ų | 106 | 95.9 Ų | 95.9 | 54% | 0.544 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 133.1 | -177.7 | -65.5 | 163.3 | 0 | 0 | 0 | 109.5 | T155 S179 C186 | T155-I157 WeakPolarHBondContact O-CG1 3.42Å; T155-I157 PolarHBondContact O-N 2.89Å; I157-S179 PolarHBondContact N-O 3.22Å; I157-S179 VanDerWaalsContact N-O 3.09Å; I157-S179 PolarHBondContact O-N 2.73Å; I157-C186 VanDerWaalsContact C-SG 3.52Å; I157-C186 PolarHBondContact O-SG 3.16Å |
| 158 | W | 95 | Very high | 80.4 | Confident | 51 Ų | 51 | 97.1 Ų | 97.1 | 19% | 0.193 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 134.3 | 169 | -75.5 | 113.2 | 0 | 0 | 0 | 110.9 | R176 C178 C186 P187 G188 N190 | W158-R176 HydrophobicContact CD2-CG 4.28Å; W158-R176 VanDerWaalsContact CD2-CZ 3.44Å; W158-R176 HydrophobicContact CE3-CB 4.48Å; W158-R176 HydrophobicContact CE3-CG 3.61Å; W158-R176 VanDerWaalsContact CG-CZ 3.41Å; W158-R176 HydrophobicContact CZ3-CG 4.04Å; W158-C178 HydrophobicContact CE3-CB 4.04Å; W158-C178 HydrophobicContact CH2-CB 4.21Å; W158-C178 HydrophobicContact CZ3-CB 3.73Å; W158-C186 HydrophobicContact CD2-CB 3.57Å; W158-C186 HydrophobicContact CE3-CB 4.06Å; W158-C186 HydrophobicContact CG-CB 4.05Å; W158-C186 HydrophobicContact CH2-CB 3.88Å; W158-C186 HydrophobicContact CZ2-CB 3.38Å; W158-C186 WeakPolarHBondContact CZ2-O 3.47Å; W158-C186 HydrophobicContact CZ3-CB 4.2Å; W158-P187 PolarHBondContact NE1-O 3.07Å; W158-G188 VanDerWaalsContact CZ2-O 3.24Å; W158-G188 WeakPolarHBondContact CZ2-O 3.44Å; W158-N190 HydrophobicContact CH2-CB 3.66Å; W158-N190 HydrophobicContact CZ3-CB 3.57Å |
| 159 | T | 94.4 | Very high | 82.2 | Confident | 61 Ų | 61 | 95.1 Ų | 95.1 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 164 | 164.8 | 70.7 | 0 | 0 | 0 | 0 | 110.2 | A177 | T159-A177 HydrophobicContact CG2-CB 3.89Å; T159-A177 WeakPolarHBondContact CG2-O 3.35Å; T159-A177 PolarHBondContact N-O 2.91Å; T159-A177 PolarHBondContact OG1-N 3.41Å; T159-A177 PolarHBondContact OG1-O 2.99Å |
| 160 | T | 95 | Very high | 83.9 | Confident | 130 Ų | 130 | 96.1 Ų | 96.1 | 80% | 0.798 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 150.2 | 167 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 161 | W | 96.7 | Very high | 85.8 | Confident | 74 Ų | 74 | 95.9 Ų | 95.9 | 28% | 0.28 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 140.8 | 175.4 | -74.1 | 102.8 | 0 | 0 | 0 | 111 | R174 R176 Q192 | W161-R174 HydrophobicContact CD2-CG 4.35Å; W161-R174 HydrophobicContact CE3-CB 4.49Å; W161-R174 HydrophobicContact CE3-CG 3.71Å; W161-R174 HydrophobicContact CZ3-CG 4.21Å; W161-R176 HydrophobicContact CD2-CB 4.21Å; W161-R176 HydrophobicContact CD2-CG 4.12Å; W161-R176 HydrophobicContact CE3-CB 3.92Å; W161-R176 HydrophobicContact CE3-CG 3.81Å; W161-R176 HydrophobicContact CH2-CG 3.92Å; W161-R176 HydrophobicContact CZ2-CG 4.21Å; W161-R176 VanDerWaalsContact CZ2-NE 3.31Å; W161-R176 HydrophobicContact CZ3-CB 4.29Å; W161-R176 HydrophobicContact CZ3-CG 3.71Å; W161-Q192 HydrophobicContact CH2-CB 3.75Å; W161-Q192 HydrophobicContact CZ2-CB 4.4Å; W161-Q192 HydrophobicContact CZ3-CB 3.83Å |
| 162 | S | 95.9 | Very high | 87.8 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -60 | 164.5 | 167.9 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | R174 V175 | S162-R174 WeakPolarHBondContact OG-CA 3.4Å; S162-R174 WeakPolarHBondContact OG-CB 3.46Å; S162-V175 WeakPolarHBondContact CB-O 3.47Å; S162-V175 PolarHBondContact N-O 3.14Å; S162-V175 PolarHBondContact OG-N 3.06Å; S162-V175 PolarHBondContact OG-O 3.03Å |
| 163 | H | 94.6 | Very high | 89.7 | Confident | 179 Ų | 179 | 88.3 Ų | 88.3 | 83% | 0.829 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 152.7 | 162.4 | -70.1 | -84.8 | 0 | 0 | 0 | 110.3 | ||
| 164 | W | 95.1 | Very high | 91.5 | Very high | 67 Ų | 67 | 85.9 Ų | 85.9 | 25% | 0.254 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 136.1 | 172.3 | -71.5 | 97.8 | 0 | 0 | 0 | 109.7 | Q172 R174 Q192 K194 | W164-Q172 HydrophobicContact CB-CG 4.49Å; W164-Q172 HydrophobicContact CD2-CG 4.2Å; W164-Q172 HydrophobicContact CE3-CB 4.23Å; W164-Q172 HydrophobicContact CE3-CG 3.64Å; W164-Q172 HydrophobicContact CZ3-CG 4.22Å; W164-Q172 WeakPolarHBondContact CZ3-O 3Å; W164-R174 HydrophobicContact CD2-CB 4.17Å; W164-R174 HydrophobicContact CD2-CG 4.06Å; W164-R174 VanDerWaalsContact CE2-CD 3.43Å; W164-R174 HydrophobicContact CE3-CB 3.96Å; W164-R174 HydrophobicContact CE3-CG 3.86Å; W164-R174 HydrophobicContact CH2-CG 3.79Å; W164-R174 VanDerWaalsContact CZ2-CD 3.46Å; W164-R174 HydrophobicContact CZ2-CG 3.95Å; W164-R174 VanDerWaalsContact CZ2-NE 3.26Å; W164-R174 HydrophobicContact CZ3-CB 4.28Å; W164-R174 HydrophobicContact CZ3-CG 3.74Å; W164-Q192 HydrophobicContact CH2-CB 4.31Å; W164-Q192 HydrophobicContact CH2-CG 4Å; W164-Q192 WeakPolarHBondContact CZ3-O 3.38Å; W164-K194 VanDerWaalsContact CD1-NZ 3.34Å; W164-K194 HydrophobicContact CD2-CD 4.07Å; W164-K194 VanDerWaalsContact CD2-CE 3.44Å; W164-K194 HydrophobicContact CD2-CG 4.39Å; W164-K194 HydrophobicContact CE3-CD 4.18Å; W164-K194 HydrophobicContact CE3-CG 3.99Å; W164-K194 HydrophobicContact CH2-CB 3.87Å; W164-K194 HydrophobicContact CH2-CD 3.52Å; W164-K194 HydrophobicContact CH2-CG 3.56Å; W164-K194 HydrophobicContact CZ2-CD 3.43Å; W164-K194 VanDerWaalsContact CZ2-CD 3.43Å; W164-K194 HydrophobicContact CZ2-CG 4.02Å; W164-K194 HydrophobicContact CZ3-CB 4.1Å; W164-K194 HydrophobicContact CZ3-CD 3.91Å; W164-K194 HydrophobicContact CZ3-CG 3.55Å |
| 165 | S | 93.5 | Very high | 93 | Very high | 40 Ų | 40 | 81.8 Ų | 81.8 | 28% | 0.28 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 164.1 | 171.9 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | Q172 M173 | S165-Q172 WeakPolarHBondContact O-CB 3.46Å; S165-M173 WeakPolarHBondContact CB-O 3.06Å; S165-M173 PolarHBondContact N-O 3.43Å; S165-M173 WeakPolarHBondContact OG-CG 3.34Å; S165-M173 PolarHBondContact OG-N 2.88Å; S165-M173 PolarHBondContact OG-O 3.21Å |
| 166 | L | 92.8 | Very high | 93.8 | Very high | 159 Ų | 159 | 80.9 Ų | 80.9 | 83% | 0.832 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -56 | 149.1 | 164 | -64.3 | 172.5 | 0 | 0 | 0 | 110.1 | Y168 | L166-Y168 PolarHBondContact O-N 3.35Š|
| 167 | C | 93.2 | Very high | 94.2 | Very high | 49 Ų | 49 | 82.9 Ų | 82.9 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 120.3 | 177 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | Q171 C196 | C167-Q171 CarbonylContact C-O 3.59Å; C167-Q171 WeakPolarHBondContact CA-O 3.38Å; C167-C196 VanDerWaalsContact CA-SG 3.55Å; C167-C196 HydrophobicContact CB-CB 3.98Å; C167-C196 WeakPolarHBondContact CB-SG 3.49Å; C167-C196 WeakPolarHBondContact SG-CB 3.35Å; C167-C196 CovalentContact SG-SG 2.01Å; C167-C196 PolarHBondContact SG-SG 2.77Å |
| 168 | Y | 87.8 | Confident | 94.4 | Very high | 133 Ų | 133 | 80.1 Ų | 80.1 | 52% | 0.522 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -123.7 | 122 | 171.9 | -175.7 | -110.6 | 0 | 0 | 0 | 108.7 | L166 N170 Q171 | L166-Y168 PolarHBondContact O-N 3.35Å; Y168-N170 PolarHBondContact O-N 3.42Å; Y168-Q171 PolarHBondContact N-O 3.08Å; Y168-Q171 PolarHBondContact O-N 3.09Å |
| 169 | K | 91.2 | Very high | 94.2 | Very high | 86 Ų | 86 | 80.1 Ų | 80.1 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 49.8 | -175.2 | -54.1 | -174.9 | -162.3 | 162.6 | 0 | 114.5 | Q171 A475 N478 | K169-Q171 PolarHBondContact O-N 3.39Å; K169-A475 WeakPolarHBondContact CE-O 3.46Å; K169-A475 VanDerWaalsContact NZ-CA 3.32Å; K169-A475 PolarHBondContact NZ-O 2.7Å; K169-N478 WeakPolarHBondContact CD-OXT 3.23Å; K169-N478 PolarHBondContact NZ-OXT 2.75Å |
| 170 | N | 92.1 | Very high | 93.9 | Very high | 93 Ų | 93 | 79.7 Ų | 79.7 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 15.6 | -176.8 | -61.5 | -28.9 | 0 | 0 | 0 | 114.7 | Y168 S195 C196 | Y168-N170 PolarHBondContact O-N 3.42Å; N170-S195 CarbonylContact O-C 3.57Å; N170-S195 WeakPolarHBondContact O-CA 3.45Å; N170-C196 PolarHBondContact O-N 3.43Å |
| 171 | Q | 94 | Very high | 93.3 | Very high | 100 Ų | 100 | 76.5 Ų | 76.5 | 47% | 0.467 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 144.2 | 171.3 | -62.8 | -170.9 | 20.5 | 0 | 0 | 110.6 | C167 Y168 K169 K194 C196 | C167-Q171 CarbonylContact C-O 3.59Å; C167-Q171 WeakPolarHBondContact CA-O 3.38Å; Y168-Q171 PolarHBondContact N-O 3.08Å; Y168-Q171 PolarHBondContact O-N 3.09Å; K169-Q171 PolarHBondContact O-N 3.39Å; Q171-K194 WeakPolarHBondContact CA-O 3.49Å; Q171-C196 PolarHBondContact N-SG 3.01Å |
| 172 | Q | 95.7 | Very high | 92.7 | Very high | 34 Ų | 34 | 81 Ų | 81 | 16% | 0.159 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.7 | 168.2 | 59.4 | -168.1 | -49.1 | 0 | 0 | 107.6 | W164 S165 S193 K194 | W164-Q172 HydrophobicContact CB-CG 4.49Å; W164-Q172 HydrophobicContact CD2-CG 4.2Å; W164-Q172 HydrophobicContact CE3-CB 4.23Å; W164-Q172 HydrophobicContact CE3-CG 3.64Å; W164-Q172 HydrophobicContact CZ3-CG 4.22Å; W164-Q172 WeakPolarHBondContact CZ3-O 3Å; S165-Q172 WeakPolarHBondContact O-CB 3.46Å; Q172-S193 WeakPolarHBondContact O-CA 3.47Å; Q172-K194 HydrophobicContact CG-CD 4.3Å; Q172-K194 HydrophobicContact CG-CG 3.53Å; Q172-K194 PolarHBondContact N-O 2.98Å; Q172-K194 PolarHBondContact O-N 2.81Å |
| 173 | M | 95.5 | Very high | 92.2 | Very high | 96 Ų | 96 | 82 Ų | 82 | 47% | 0.473 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153 | -176.7 | 59.7 | -173.6 | -67.7 | 0 | 0 | 110.5 | S165 V175 I191 Q192 | S165-M173 WeakPolarHBondContact CB-O 3.06Å; S165-M173 PolarHBondContact N-O 3.43Å; S165-M173 WeakPolarHBondContact OG-CG 3.34Å; S165-M173 PolarHBondContact OG-N 2.88Å; S165-M173 PolarHBondContact OG-O 3.21Å; M173-V175 HydrophobicContact CE-CG1 4.41Å; M173-I191 HydrophobicContact CE-CG2 4.45Å; M173-Q192 CarbonylContact C-O 3.47Å; M173-Q192 VanDerWaalsContact CA-O 3.31Å; M173-Q192 WeakPolarHBondContact CA-O 3.47Å |
| 174 | R | 97 | Very high | 91.8 | Very high | 59 Ų | 59 | 78.3 Ų | 78.3 | 22% | 0.223 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.4 | 167.4 | 64.1 | 177.1 | -174.9 | 171.2 | 1.3 | 109.1 | W161 S162 W164 Q192 | W161-R174 HydrophobicContact CD2-CG 4.35Å; W161-R174 HydrophobicContact CE3-CB 4.49Å; W161-R174 HydrophobicContact CE3-CG 3.71Å; W161-R174 HydrophobicContact CZ3-CG 4.21Å; S162-R174 WeakPolarHBondContact OG-CA 3.4Å; S162-R174 WeakPolarHBondContact OG-CB 3.46Å; W164-R174 HydrophobicContact CD2-CB 4.17Å; W164-R174 HydrophobicContact CD2-CG 4.06Å; W164-R174 VanDerWaalsContact CE2-CD 3.43Å; W164-R174 HydrophobicContact CE3-CB 3.96Å; W164-R174 HydrophobicContact CE3-CG 3.86Å; W164-R174 HydrophobicContact CH2-CG 3.79Å; W164-R174 VanDerWaalsContact CZ2-CD 3.46Å; W164-R174 HydrophobicContact CZ2-CG 3.95Å; W164-R174 VanDerWaalsContact CZ2-NE 3.26Å; W164-R174 HydrophobicContact CZ3-CB 4.28Å; W164-R174 HydrophobicContact CZ3-CG 3.74Å; R174-Q192 HydrophobicContact CG-CB 4.07Å; R174-Q192 PolarHBondContact N-O 3.35Å; R174-Q192 PolarHBondContact O-N 2.76Å |
| 175 | V | 96.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 81.9 Ų | 81.9 | 39% | 0.394 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.7 | -176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | S162 M173 N190 I191 | S162-V175 WeakPolarHBondContact CB-O 3.47Å; S162-V175 PolarHBondContact N-O 3.14Å; S162-V175 PolarHBondContact OG-N 3.06Å; S162-V175 PolarHBondContact OG-O 3.03Å; M173-V175 HydrophobicContact CE-CG1 4.41Å; V175-N190 CarbonylContact C-O 3.6Å; V175-N190 VanDerWaalsContact CA-O 3.3Å; V175-N190 WeakPolarHBondContact CA-O 3.13Å; V175-I191 HydrophobicContact CG1-CG1 4.01Å; V175-I191 HydrophobicContact CG1-CG2 4.39Å |
| 176 | R | 96.4 | Very high | 91.5 | Very high | 52 Ų | 52 | 80.6 Ų | 80.6 | 20% | 0.196 | 43% | 0.427 | C | S | . | . | trans | -139.9 | 149.9 | 169.2 | 58.6 | 178.5 | -179.4 | 172.4 | 2.5 | 109.3 | W158 W161 E189 N190 | W158-R176 HydrophobicContact CD2-CG 4.28Å; W158-R176 VanDerWaalsContact CD2-CZ 3.44Å; W158-R176 HydrophobicContact CE3-CB 4.48Å; W158-R176 HydrophobicContact CE3-CG 3.61Å; W158-R176 VanDerWaalsContact CG-CZ 3.41Å; W158-R176 HydrophobicContact CZ3-CG 4.04Å; W161-R176 HydrophobicContact CD2-CB 4.21Å; W161-R176 HydrophobicContact CD2-CG 4.12Å; W161-R176 HydrophobicContact CE3-CB 3.92Å; W161-R176 HydrophobicContact CE3-CG 3.81Å; W161-R176 HydrophobicContact CH2-CG 3.92Å; W161-R176 HydrophobicContact CZ2-CG 4.21Å; W161-R176 VanDerWaalsContact CZ2-NE 3.31Å; W161-R176 HydrophobicContact CZ3-CB 4.29Å; W161-R176 HydrophobicContact CZ3-CG 3.71Å; R176-E189 VanDerWaalsContact CZ-O 3.27Å; R176-E189 PolarHBondContact NE-O 2.96Å; R176-E189 PolarHBondContact NH2-O 2.91Å; R176-N190 PolarHBondContact N-O 2.67Å | ||
| 177 | A | 95 | Very high | 91.4 | Very high | 57 Ų | 57 | 78.1 Ų | 78.1 | 47% | 0.471 | 42% | 0.42 | S | S | . | . | trans | -92.5 | 153.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T159 | T159-A177 HydrophobicContact CG2-CB 3.89Å; T159-A177 WeakPolarHBondContact CG2-O 3.35Å; T159-A177 PolarHBondContact N-O 2.91Å; T159-A177 PolarHBondContact OG1-N 3.41Å; T159-A177 PolarHBondContact OG1-O 2.99Å | ||
| 178 | C | 94.6 | Very high | 91.4 | Very high | 48 Ų | 48 | 78.7 Ų | 78.7 | 32% | 0.324 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.5 | 169.6 | 174.9 | 0 | 0 | 0 | 0 | 108.9 | W158 A180 C186 | W158-C178 HydrophobicContact CE3-CB 4.04Å; W158-C178 HydrophobicContact CH2-CB 4.21Å; W158-C178 HydrophobicContact CZ3-CB 3.73Å; C178-A180 VanDerWaalsContact C-N 3.3Å; C178-A180 PolarHBondContact O-N 3.41Å; C178-A180 VanDerWaalsContact O-N 3.17Å; C178-C186 WeakPolarHBondContact CA-SG 3.3Å; C178-C186 HydrophobicContact CB-CB 3.69Å; C178-C186 WeakPolarHBondContact CB-SG 3.21Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 PolarHBondContact SG-N 3.17Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 2.86Å |
| 179 | S | 91.8 | Very high | 91.8 | Very high | 52 Ų | 52 | 79 Ų | 79 | 36% | 0.364 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 82.7 | 166.1 | -166.1 | 0 | 0 | 0 | 0 | 107.7 | S156 I157 | S156-S179 WeakPolarHBondContact CA-O 3.31Å; I157-S179 PolarHBondContact N-O 3.22Å; I157-S179 VanDerWaalsContact N-O 3.09Å; I157-S179 PolarHBondContact O-N 2.73Å |
| 180 | A | 86.9 | Confident | 92 | Very high | 52 Ų | 52 | 79 Ų | 79 | 43% | 0.43 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 129 | -180 | 0 | 0 | 0 | 0 | 0 | 110.5 | C178 H184 | C178-A180 VanDerWaalsContact C-N 3.3Å; C178-A180 PolarHBondContact O-N 3.41Å; C178-A180 VanDerWaalsContact O-N 3.17Å; A180-H184 WeakPolarHBondContact CB-O 3.24Å |
| 181 | I | 83.8 | Confident | 92.2 | Very high | 62 Ų | 62 | 78.4 Ų | 78.4 | 32% | 0.318 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 145.6 | 158.1 | -67.2 | 116.2 | 0 | 0 | 0 | 107.8 | Y154 T155 G183 H184 | Y154-I181 VanDerWaalsContact C-CD1 3.46Å; Y154-I181 HydrophobicContact CD1-CD1 3.93Å; Y154-I181 HydrophobicContact CD1-CG1 4.01Å; Y154-I181 HydrophobicContact CG-CD1 4.33Å; T155-I181 WeakPolarHBondContact O-CD1 3.46Å; I181-G183 PolarHBondContact O-N 3.25Å; I181-H184 PolarHBondContact O-N 2.9Å |
| 182 | R | 83.3 | Confident | 92.3 | Very high | 168 Ų | 168 | 77 Ų | 77 | 63% | 0.634 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | 116.9 | -178.1 | -169.6 | -177 | -179.5 | 125.8 | 8 | 110.8 | V136 | V136-R182 PolarHBondContact O-NH1 2.81Å; V136-R182 PolarHBondContact O-NH2 2.84Å |
| 183 | G | 85.5 | Confident | 92.4 | Very high | 72 Ų | 72 | 79.1 Ų | 79.1 | 74% | 0.742 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | -3.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | I181 | I181-G183 PolarHBondContact O-N 3.25Š|
| 184 | H | 85.6 | Confident | 92.4 | Very high | 101 Ų | 101 | 78.5 Ų | 78.5 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | trans | -119 | 123.9 | 179.2 | -65 | -83.9 | 0 | 0 | 0 | 111.5 | S156 A180 I181 | S156-H184 WeakPolarHBondContact CB-O 3.37Å; A180-H184 WeakPolarHBondContact CB-O 3.24Å; I181-H184 PolarHBondContact O-N 2.9Å | ||
| 185 | H | 89.7 | Confident | 92.3 | Very high | 141 Ų | 141 | 80.2 Ų | 80.2 | 65% | 0.653 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -92.7 | 146.2 | 172.2 | -60.1 | -66.5 | 0 | 0 | 0 | 110.1 | S156 | S156-H185 PolarHBondContact OG-O 3.34Š|
| 186 | C | 93.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 78 Ų | 78 | 9% | 0.088 | 46% | 0.455 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 128.5 | 172.9 | -59.9 | 0 | 0 | 0 | 0 | 109 | S156 I157 W158 C178 G188 | S156-C186 PolarHBondContact OG-N 2.02Å; I157-C186 VanDerWaalsContact C-SG 3.52Å; I157-C186 PolarHBondContact O-SG 3.16Å; W158-C186 HydrophobicContact CD2-CB 3.57Å; W158-C186 HydrophobicContact CE3-CB 4.06Å; W158-C186 HydrophobicContact CG-CB 4.05Å; W158-C186 HydrophobicContact CH2-CB 3.88Å; W158-C186 HydrophobicContact CZ2-CB 3.38Å; W158-C186 WeakPolarHBondContact CZ2-O 3.47Å; W158-C186 HydrophobicContact CZ3-CB 4.2Å; C178-C186 WeakPolarHBondContact CA-SG 3.3Å; C178-C186 HydrophobicContact CB-CB 3.69Å; C178-C186 WeakPolarHBondContact CB-SG 3.21Å; C178-C186 WeakPolarHBondContact SG-CB 3.33Å; C178-C186 PolarHBondContact SG-N 3.17Å; C178-C186 CovalentContact SG-SG 2.02Å; C178-C186 PolarHBondContact SG-SG 2.86Å; C186-G188 PolarHBondContact O-N 2.89Å |
| 187 | P | 91.8 | Very high | 91.7 | Very high | 107 Ų | 107 | 87 Ų | 87 | 70% | 0.695 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -73.1 | 127.9 | 178.7 | 27.5 | -32.9 | 0 | 0 | 0 | 111.2 | W158 | W158-P187 PolarHBondContact NE1-O 3.07Š|
| 188 | G | 93.3 | Very high | 90.8 | Very high | 61 Ų | 61 | 92.6 Ų | 92.6 | 63% | 0.629 | 50% | 0.503 | S | S | * | . | S | Bend | trans | 115 | -173.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W158 C186 | W158-G188 VanDerWaalsContact CZ2-O 3.24Å; W158-G188 WeakPolarHBondContact CZ2-O 3.44Å; C186-G188 PolarHBondContact O-N 2.89Å |
| 189 | E | 95 | Very high | 89.3 | Confident | 139 Ų | 139 | 94.8 Ų | 94.8 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | trans | -81.2 | 140.2 | -176.9 | -63.2 | 175.9 | 173.6 | 0 | 0 | 111.8 | R176 | R176-E189 VanDerWaalsContact CZ-O 3.27Å; R176-E189 PolarHBondContact NE-O 2.96Å; R176-E189 PolarHBondContact NH2-O 2.91Å | ||
| 190 | N | 95.7 | Very high | 87.8 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -93.4 | -8.8 | 173.3 | 62.9 | -21.6 | 0 | 0 | 0 | 113.2 | W158 V175 R176 | W158-N190 HydrophobicContact CH2-CB 3.66Å; W158-N190 HydrophobicContact CZ3-CB 3.57Å; V175-N190 CarbonylContact C-O 3.6Å; V175-N190 VanDerWaalsContact CA-O 3.3Å; V175-N190 WeakPolarHBondContact CA-O 3.13Å; R176-N190 PolarHBondContact N-O 2.67Å |
| 191 | I | 95.7 | Very high | 86.4 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 42% | 0.421 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.9 | -178.3 | -57.5 | 174.2 | 0 | 0 | 0 | 107.8 | M173 V175 | M173-I191 HydrophobicContact CE-CG2 4.45Å; V175-I191 HydrophobicContact CG1-CG1 4.01Å; V175-I191 HydrophobicContact CG1-CG2 4.39Å |
| 192 | Q | 97.3 | Very high | 84.9 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 33% | 0.332 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.1 | 172.3 | -167.7 | -179.9 | 25 | 0 | 0 | 109.6 | W161 W164 M173 R174 | W161-Q192 HydrophobicContact CH2-CB 3.75Å; W161-Q192 HydrophobicContact CZ2-CB 4.4Å; W161-Q192 HydrophobicContact CZ3-CB 3.83Å; W164-Q192 HydrophobicContact CH2-CB 4.31Å; W164-Q192 HydrophobicContact CH2-CG 4Å; W164-Q192 WeakPolarHBondContact CZ3-O 3.38Å; M173-Q192 CarbonylContact C-O 3.47Å; M173-Q192 VanDerWaalsContact CA-O 3.31Å; M173-Q192 WeakPolarHBondContact CA-O 3.47Å; R174-Q192 HydrophobicContact CG-CB 4.07Å; R174-Q192 PolarHBondContact N-O 3.35Å; R174-Q192 PolarHBondContact O-N 2.76Å |
| 193 | S | 96.4 | Very high | 83.6 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.5 | 170.3 | 64.2 | 0 | 0 | 0 | 0 | 110.4 | Q172 | Q172-S193 WeakPolarHBondContact O-CA 3.47Å |
| 194 | K | 95.9 | Very high | 81.9 | Confident | 83 Ų | 83 | 108.8 Ų | 108.8 | 36% | 0.361 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -144.3 | 153.4 | 168 | 73.8 | -178.9 | 179.6 | -166.7 | 0 | 110.5 | W164 Q171 Q172 | W164-K194 VanDerWaalsContact CD1-NZ 3.34Å; W164-K194 HydrophobicContact CD2-CD 4.07Å; W164-K194 VanDerWaalsContact CD2-CE 3.44Å; W164-K194 HydrophobicContact CD2-CG 4.39Å; W164-K194 HydrophobicContact CE3-CD 4.18Å; W164-K194 HydrophobicContact CE3-CG 3.99Å; W164-K194 HydrophobicContact CH2-CB 3.87Å; W164-K194 HydrophobicContact CH2-CD 3.52Å; W164-K194 HydrophobicContact CH2-CG 3.56Å; W164-K194 HydrophobicContact CZ2-CD 3.43Å; W164-K194 VanDerWaalsContact CZ2-CD 3.43Å; W164-K194 HydrophobicContact CZ2-CG 4.02Å; W164-K194 HydrophobicContact CZ3-CB 4.1Å; W164-K194 HydrophobicContact CZ3-CD 3.91Å; W164-K194 HydrophobicContact CZ3-CG 3.55Å; Q171-K194 WeakPolarHBondContact CA-O 3.49Å; Q172-K194 HydrophobicContact CG-CD 4.3Å; Q172-K194 HydrophobicContact CG-CG 3.53Å; Q172-K194 PolarHBondContact N-O 2.98Å; Q172-K194 PolarHBondContact O-N 2.81Å |
| 195 | S | 96 | Very high | 80.3 | Confident | 94 Ų | 94 | 109.8 Ų | 109.8 | 66% | 0.657 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 143.4 | 172 | -50.2 | 0 | 0 | 0 | 0 | 111.1 | N170 | N170-S195 CarbonylContact O-C 3.57Å; N170-S195 WeakPolarHBondContact O-CA 3.45Å |
| 196 | C | 93.9 | Very high | 78.4 | Confident | 19 Ų | 19 | 107 Ų | 107 | 13% | 0.128 | 58% | 0.583 | C | S | . | * | trans | -71.5 | 135.4 | 175 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | C167 N170 Q171 K198 | C167-C196 VanDerWaalsContact CA-SG 3.55Å; C167-C196 HydrophobicContact CB-CB 3.98Å; C167-C196 WeakPolarHBondContact CB-SG 3.49Å; C167-C196 WeakPolarHBondContact SG-CB 3.35Å; C167-C196 CovalentContact SG-SG 2.01Å; C167-C196 PolarHBondContact SG-SG 2.77Å; N170-C196 PolarHBondContact O-N 3.43Å; Q171-C196 PolarHBondContact N-SG 3.01Å; C196-K198 PolarHBondContact O-N 3.43Å | ||
| 197 | R | 84.9 | Confident | 76.5 | Confident | 242 Ų | 242 | 114.9 Ų | 114.9 | 91% | 0.913 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -77.4 | 95.6 | 171.2 | -70.8 | -174.7 | 179.9 | -177.8 | -0.4 | 108 | ||
| 198 | K | 76.5 | Confident | 74.6 | Confident | 174 Ų | 174 | 116.1 Ų | 116.1 | 76% | 0.757 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 73.4 | 136.5 | -178.2 | -53.3 | 178.3 | -179.8 | -179 | 0 | 113 | C196 I200 | C196-K198 PolarHBondContact O-N 3.43Å; K198-I200 PolarHBondContact O-N 3.44Å; K198-I200 VanDerWaalsContact O-N 3.14Å |
| 199 | P | 62.1 | Low | 72.7 | Confident | 94 Ų | 94 | 118.6 Ų | 118.6 | 61% | 0.61 | 62% | 0.619 | S | S | * | * | trans | -56.7 | 124.8 | 163.8 | 25.7 | -30.7 | 0 | 0 | 0 | 105.9 | G201 | P199-G201 PolarHBondContact O-N 3.42Š| ||
| 200 | I | 60.6 | Low | 70.6 | Confident | 124 Ų | 124 | 117.6 Ų | 117.6 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -58.7 | 100.9 | 161.5 | -62.8 | 170.7 | 0 | 0 | 0 | 102.6 | K198 L202 F203 | K198-I200 PolarHBondContact O-N 3.44Å; K198-I200 VanDerWaalsContact O-N 3.14Å; I200-L202 PolarHBondContact O-N 3.34Å; I200-F203 HydrophobicContact CG2-CD2 4.19Å; I200-F203 HydrophobicContact CG2-CE2 3.98Å | ||
| 201 | G | 57.3 | Low | 68.3 | Low | 55 Ų | 55 | 118.9 Ų | 118.9 | 57% | 0.567 | 63% | 0.633 | S | S | * | * | trans | -47.9 | 135.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P199 F203 | P199-G201 PolarHBondContact O-N 3.42Å; G201-F203 PolarHBondContact O-N 3.43Å | ||
| 202 | L | 54 | Low | 66.2 | Low | 161 Ų | 161 | 122.3 Ų | 122.3 | 84% | 0.843 | 65% | 0.651 | S | S | * | * | trans | -21.8 | 113.2 | 174.4 | -77.8 | 154.7 | 0 | 0 | 0 | 108.4 | I200 Q204 | I200-L202 PolarHBondContact O-N 3.34Å; L202-Q204 PolarHBondContact O-N 2.81Å | ||
| 203 | F | 54.9 | Low | 63.7 | Low | 183 Ų | 183 | 125 Ų | 125 | 80% | 0.803 | 67% | 0.673 | S | S | * | * | trans | -52 | 98.3 | 159.9 | -95.2 | -92 | 0 | 0 | 0 | 103.7 | I200 G201 V205 | I200-F203 HydrophobicContact CG2-CD2 4.19Å; I200-F203 HydrophobicContact CG2-CE2 3.98Å; G201-F203 PolarHBondContact O-N 3.43Å; F203-V205 PolarHBondContact O-N 3.45Å | ||
| 204 | Q | 49.2 | Very low | 61.3 | Low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 69% | 0.688 | S | S | * | * | trans | -63.9 | 97.1 | 162.5 | -74.4 | -150.6 | -16.2 | 0 | 0 | 101.3 | L202 S206 | L202-Q204 PolarHBondContact O-N 2.81Å; Q204-S206 PolarHBondContact O-N 3.31Å | ||
| 205 | V | 53.1 | Low | 59.2 | Low | 122 Ų | 122 | 133.7 Ų | 133.7 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | trans | -53.8 | 94.1 | 154.7 | 176.9 | 0 | 0 | 0 | 0 | 102.7 | F203 K207 | F203-V205 PolarHBondContact O-N 3.45Å; V205-K207 PolarHBondContact O-N 3.5Å | ||
| 206 | S | 50 | Low | 56.6 | Low | 82 Ų | 82 | 135.4 Ų | 135.4 | 57% | 0.573 | 71% | 0.709 | S | S | * | * | trans | -55.7 | 101.3 | 163.3 | 172.4 | 0 | 0 | 0 | 0 | 103.6 | Q204 N208 | Q204-S206 PolarHBondContact O-N 3.31Å; S206-N208 PolarHBondContact O-N 2.98Å; S206-N208 PolarHBondContact OG-OD1 3.45Å | ||
| 207 | K | 53.7 | Low | 54.8 | Low | 179 Ų | 179 | 141 Ų | 141 | 78% | 0.778 | 74% | 0.741 | S | S | * | * | trans | -64.5 | 85.4 | 157.9 | -75.2 | -177 | 177.4 | -179.8 | 0 | 104.3 | V205 V209 | V205-K207 PolarHBondContact O-N 3.5Å; K207-V209 HydrophobicContact CB-CG2 4.31Å; K207-V209 PolarHBondContact O-N 2.96Å | ||
| 208 | N | 50.2 | Low | 52.9 | Low | 133 Ų | 133 | 135.2 Ų | 135.2 | 71% | 0.711 | 73% | 0.729 | S | S | * | * | trans | -62.7 | 86.8 | 150.5 | -75.4 | -15.7 | 0 | 0 | 0 | 104.4 | S206 V210 | S206-N208 PolarHBondContact O-N 2.98Å; S206-N208 PolarHBondContact OG-OD1 3.45Å; N208-V210 PolarHBondContact O-N 3.49Å | ||
| 209 | V | 53.6 | Low | 51.5 | Low | 112 Ų | 112 | 134.4 Ų | 134.4 | 68% | 0.679 | 73% | 0.728 | S | S | * | * | trans | -61.9 | 96.8 | 159.6 | 175 | 0 | 0 | 0 | 0 | 103.7 | K207 T211 | K207-V209 HydrophobicContact CB-CG2 4.31Å; K207-V209 PolarHBondContact O-N 2.96Å; V209-T211 PolarHBondContact O-N 3.21Å | ||
| 210 | V | 52 | Low | 50.8 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -62.9 | 97.3 | 162 | 175.5 | 0 | 0 | 0 | 0 | 104.4 | N208 L212 | N208-V210 PolarHBondContact O-N 3.49Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.76Å | ||
| 211 | T | 47 | Very low | 49.8 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | trans | -57.8 | 101.1 | 166.8 | -43.3 | 0 | 0 | 0 | 0 | 105.9 | V209 T213 | V209-T211 PolarHBondContact O-N 3.21Å; T211-T213 VanDerWaalsContact C-N 3.28Å; T211-T213 PolarHBondContact O-N 3.05Å; T211-T213 PolarHBondContact O-OG1 3.48Å | ||
| 212 | L | 52.4 | Low | 49.2 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | trans | -68.9 | 93.7 | 172.8 | -157.4 | 93 | 0 | 0 | 0 | 106.6 | V210 R214 | V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 PolarHBondContact O-N 2.76Å; L212-R214 PolarHBondContact O-N 3.49Å | ||
| 213 | T | 44 | Very low | 49.1 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -62.8 | 100.5 | 173.7 | -21.5 | 0 | 0 | 0 | 0 | 107.8 | T211 | T211-T213 VanDerWaalsContact C-N 3.28Å; T211-T213 PolarHBondContact O-N 3.05Å; T211-T213 PolarHBondContact O-OG1 3.48Å | ||
| 214 | R | 46 | Very low | 49 | Very low | 226 Ų | 226 | 133.2 Ų | 133.2 | 85% | 0.853 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 128.8 | 175.9 | -154.4 | 176 | -167.9 | 179.8 | 2.6 | 108.5 | L212 | L212-R214 PolarHBondContact O-N 3.49Š|
| 215 | P | 51.7 | Low | 48.9 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 137.4 | -178.8 | -2.2 | 15 | 0 | 0 | 0 | 111.3 | ||
| 216 | N | 40.9 | Very low | 48.6 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125.8 | 171.8 | -178.4 | 2.9 | 0 | 0 | 0 | 111.1 | N218 | N216-N218 PolarHBondContact OD1-OD1 2.87Š|
| 217 | V | 55.7 | Low | 48.2 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -133.1 | 111.1 | 156.8 | -177.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 218 | N | 45.6 | Very low | 48 | Very low | 121 Ų | 121 | 133 Ų | 133 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | trans | -57.3 | 137.1 | 170.5 | -53.3 | -57.8 | 0 | 0 | 0 | 110.8 | N216 | N216-N218 PolarHBondContact OD1-OD1 2.87Š| ||
| 219 | H | 47.9 | Very low | 48 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 73% | 0.731 | 75% | 0.747 | S | S | * | * | -178 | 128.1 | 113.7 | -117.3 | -24.1 | 0 | 0 | 0 | 114 | |||||
| 220 | M | 46 | Very low | 47.4 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 80% | 0.803 | 76% | 0.755 | S | S | * | * | trans | 52.4 | 117.8 | 139 | -79.5 | -166.9 | -74.7 | 0 | 0 | 120.8 | ||||
| 221 | G | 41 | Very low | 46.8 | Very low | 71 Ų | 71 | 132.6 Ų | 132.6 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | 135.7 | 104.1 | 118.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 222 | A | 44.8 | Very low | 46.9 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 67.1 | 143.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 223 | T | 51.1 | Low | 46.3 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | cis | -172 | 156.9 | -12.3 | 25.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 224 | N | 52.3 | Low | 46.2 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 108.6 | 154.1 | -54.9 | -18.8 | 0 | 0 | 0 | 117.7 | ||||
| 225 | A | 47.7 | Very low | 45.7 | Very low | 85 Ų | 85 | 136.1 Ų | 136.1 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | 103.6 | 106 | 69.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 226 | L | 47.4 | Very low | 45.6 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 157.9 | 106.8 | 138.7 | -106.2 | 84.7 | 0 | 0 | 0 | 106.9 | ||||
| 227 | K | 41.9 | Very low | 45.4 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | 74.9 | 127.2 | 83.3 | -171.1 | 175.7 | -169.5 | -179.6 | 0 | 110.3 | |||||
| 228 | E | 48.4 | Very low | 44.8 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | cis | -174 | 161.5 | -7.6 | -117.3 | 173.4 | 165.7 | 0 | 0 | 104.1 | ||||
| 229 | N | 49.7 | Very low | 44.5 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | 70.8 | 105.2 | 153 | -58.4 | -15.9 | 0 | 0 | 0 | 118.9 | ||||
| 230 | A | 42 | Very low | 44.2 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | 168 | 102 | 84.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 231 | S | 39.3 | Very low | 43.9 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -97 | 113.7 | 164.4 | -173.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 232 | H | 49.9 | Very low | 43.9 | Very low | 188 Ų | 188 | 153.5 Ų | 153.5 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -154.2 | 139.6 | 158.9 | -87.6 | -68.7 | 0 | 0 | 0 | 110.3 | ||||
| 233 | R | 38.4 | Very low | 43.8 | Very low | 242 Ų | 242 | 156.3 Ų | 156.3 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | 89.5 | 74.8 | 169.1 | -68.5 | -175 | 165.4 | -161.1 | -4.1 | 117.8 | ||||
| 234 | L | 42.4 | Very low | 43.3 | Very low | 165 Ų | 165 | 157.3 Ų | 157.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -79 | 155.3 | 132.3 | -95.8 | 120.9 | 0 | 0 | 0 | 110.5 | ||||
| 235 | S | 36.6 | Very low | 43 | Very low | 100 Ų | 100 | 156 Ų | 156 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | trans | 90 | 138 | 165.9 | -51.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 236 | H | 48.1 | Very low | 42.9 | Very low | 186 Ų | 186 | 157.2 Ų | 157.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 82.5 | 110.1 | -162.6 | -58.6 | -83.2 | 0 | 0 | 0 | 111.9 | ||||
| 237 | T | 37.9 | Very low | 43 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | cis | -159.8 | 116.5 | 30.1 | 12.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 238 | V | 42.2 | Very low | 43.1 | Very low | 142 Ų | 142 | 155.9 Ų | 155.9 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -86.8 | 140.5 | 154.4 | 166.6 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 239 | E | 40.4 | Very low | 43.3 | Very low | 175 Ų | 175 | 159.3 Ų | 159.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | 89.5 | 87.9 | -168.1 | -67.3 | -174.4 | 109.6 | 0 | 0 | 115.8 | ||||
| 240 | Q | 40.3 | Very low | 43.2 | Very low | 194 Ų | 194 | 161.6 Ų | 161.6 | 91% | 0.907 | 83% | 0.825 | S | S | * | * | trans | -177.4 | 15.8 | 142.9 | -108.8 | 173.7 | 0.9 | 0 | 0 | 116.6 | ||||
| 241 | R | 39.6 | Very low | 43.3 | Very low | 251 Ų | 251 | 159.8 Ų | 159.8 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | trans | -118.2 | 59.3 | 171.6 | -79.6 | -175.8 | 175.6 | 168.3 | -0.4 | 112.4 | ||||
| 242 | Q | 42.1 | Very low | 43.9 | Very low | 186 Ų | 186 | 161.2 Ų | 161.2 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -139.3 | 61.2 | 163.5 | -78.5 | -173.9 | -14.3 | 0 | 0 | 108.8 | ||||
| 243 | L | 42.4 | Very low | 43.9 | Very low | 154 Ų | 154 | 159.1 Ų | 159.1 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -159.5 | 51.3 | 173.4 | -144.5 | 88.3 | 0 | 0 | 0 | 113.2 | ||
| 244 | T | 40.8 | Very low | 44.4 | Very low | 136 Ų | 136 | 154.2 Ų | 154.2 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -143.4 | 8.4 | 170.6 | 40.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 245 | T | 45.4 | Very low | 44.6 | Very low | 120 Ų | 120 | 154.7 Ų | 154.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -110.3 | 7.1 | -174.1 | 52 | 0 | 0 | 0 | 0 | 115.5 | ||
| 246 | T | 45.3 | Very low | 45.2 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -116.1 | -6.4 | -172.6 | 30.6 | 0 | 0 | 0 | 0 | 116.3 | ||
| 247 | V | 50 | Low | 45.1 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -102.7 | -19.5 | -177.1 | -179 | 0 | 0 | 0 | 0 | 114 | R249 | V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.09Å |
| 248 | M | 44.5 | Very low | 45.5 | Very low | 166 Ų | 166 | 152 Ų | 152 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 2.2 | 175.5 | -75.5 | -92.4 | 169.2 | 0 | 0 | 113.9 | ||
| 249 | R | 51.8 | Low | 45.7 | Very low | 214 Ų | 214 | 152.1 Ų | 152.1 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -2.6 | -172.7 | -149.6 | 176.8 | -168.7 | 131.3 | 3 | 115.2 | V247 | V247-R249 VanDerWaalsContact C-N 3.29Å; V247-R249 PolarHBondContact O-N 3.09Å |
| 250 | K | 47.5 | Very low | 46 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -116 | 5.8 | -180 | -148 | 172.5 | -178.2 | -179.9 | 0 | 114.4 | ||
| 251 | G | 44.8 | Very low | 46.2 | Very low | 64 Ų | 64 | 143.1 Ų | 143.1 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -107.2 | 0.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 252 | M | 50.7 | Low | 46.4 | Very low | 143 Ų | 143 | 137 Ų | 137 | 70% | 0.704 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -113.1 | 0.9 | -177.1 | -76.7 | -167.4 | -75.1 | 0 | 0 | 114.7 | ||
| 253 | E | 50.1 | Low | 46.3 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 67% | 0.673 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -85.7 | -18.8 | -179.8 | -73 | 175 | 155.2 | 0 | 0 | 113.2 | ||
| 254 | D | 48.9 | Very low | 46.3 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -1.2 | -178.9 | -72.2 | -24.7 | 0 | 0 | 0 | 115.4 | ||
| 255 | K | 48.3 | Very low | 46.6 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -7.3 | 176.9 | -83.9 | -172.5 | 174.3 | -174.9 | 0 | 115 | ||
| 256 | L | 47.3 | Very low | 47.3 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -97 | -9.6 | -178.3 | -93.3 | 146.1 | 0 | 0 | 0 | 114.4 | ||
| 257 | T | 47.8 | Very low | 47.2 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 63% | 0.632 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -84.8 | -11.8 | 177.2 | 31.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 258 | T | 44.9 | Very low | 46.9 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -91.5 | -14.8 | -178.3 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 259 | I | 46.7 | Very low | 46.8 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -93.9 | -7.6 | -180 | -59 | 177 | 0 | 0 | 0 | 112 | A261 | I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.26Å |
| 260 | A | 45.9 | Very low | 46.4 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 10 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 261 | A | 44.3 | Very low | 46.4 | Very low | 88 Ų | 88 | 141 Ų | 141 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | 4.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | I259 | I259-A261 VanDerWaalsContact C-N 3.31Å; I259-A261 PolarHBondContact O-N 3.26Å |
| 262 | V | 45.4 | Very low | 46.3 | Very low | 123 Ų | 123 | 149 Ų | 149 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -119.5 | 133.7 | -178 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | ||
| 263 | I | 40.1 | Very low | 45.7 | Very low | 167 Ų | 167 | 149 Ų | 149 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | trans | 93.8 | 64.8 | -172.7 | -42.6 | 159.2 | 0 | 0 | 0 | 113.6 | ||||
| 264 | K | 42.7 | Very low | 45.3 | Very low | 200 Ų | 200 | 149.4 Ų | 149.4 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 129 | 149.2 | -101.7 | 178.6 | 176.9 | 174.9 | 0 | 108.1 | ||
| 265 | P | 47.2 | Very low | 44.9 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.4 | 171.9 | 30.9 | -29.8 | 0 | 0 | 0 | 110.1 | ||
| 266 | P | 59.8 | Low | 44.7 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79 | 138.5 | 169.3 | 30.4 | -30.3 | 0 | 0 | 0 | 110.7 | ||
| 267 | A | 42.1 | Very low | 44.3 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 145.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 268 | R | 43.5 | Very low | 43.7 | Very low | 252 Ų | 252 | 144.2 Ų | 144.2 | 95% | 0.951 | 79% | 0.786 | S | S | * | * | trans | 73.8 | 128.7 | 155.9 | -62.4 | 178.8 | -175.9 | -177.8 | 1.3 | 119.1 | ||||
| 269 | G | 43.8 | Very low | 43.5 | Very low | 77 Ų | 77 | 148.1 Ų | 148.1 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 174.9 | 86.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 270 | F | 42 | Very low | 43.1 | Very low | 214 Ų | 214 | 146 Ų | 146 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | trans | -61.8 | 128 | 164 | -90.6 | -97.1 | 0 | 0 | 0 | 110.5 | ||||
| 271 | R | 47.2 | Very low | 42.7 | Very low | 252 Ų | 252 | 149.9 Ų | 149.9 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -149.9 | 143.4 | 147.2 | -77.7 | -156.8 | 177 | 177.7 | -0.4 | 111.5 | ||||
| 272 | R | 43.1 | Very low | 43.5 | Very low | 234 Ų | 234 | 151.3 Ų | 151.3 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -69.3 | 148.4 | -175.2 | -86.6 | 171.8 | 158.4 | 163.2 | -7.7 | 114.1 | ||||
| 273 | L | 38.9 | Very low | 43.3 | Very low | 143 Ų | 143 | 151.2 Ų | 151.2 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | 20.9 | 124.3 | 134.7 | -66.4 | 149.7 | 0 | 0 | 0 | 118.8 | ||||
| 274 | D | 42.1 | Very low | 42.9 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | -178.7 | 146.5 | 97 | -90.3 | -32.9 | 0 | 0 | 0 | 112.7 | |||||
| 275 | A | 40.4 | Very low | 42.6 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | trans | 74.4 | 118.9 | 142.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 276 | V | 43.6 | Very low | 42 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | 78.4 | 120.5 | 129.2 | -179.7 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 277 | E | 39.1 | Very low | 41 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | 177.5 | 133.1 | 62.8 | -176.8 | 76.2 | -133.6 | 0 | 0 | 108.3 | |||||
| 278 | S | 35.9 | Very low | 40.6 | Very low | 81 Ų | 81 | 145.9 Ų | 145.9 | 57% | 0.566 | 81% | 0.81 | S | S | * | * | trans | 43 | 120 | 143.2 | -48.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 279 | Q | 39.9 | Very low | 40.7 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | 179.4 | 121.6 | 112.5 | -93.8 | 166.3 | 69.1 | 0 | 0 | 115.1 | |||||
| 280 | A | 39.1 | Very low | 40.6 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | 57.7 | 107.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 281 | L | 37.4 | Very low | 40.7 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -119.6 | 139.6 | 150.7 | -81 | 166.4 | 0 | 0 | 0 | 109.1 | ||||
| 282 | P | 60.9 | Low | 40.4 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -87.4 | 165.6 | 172.8 | 34.2 | -32 | 0 | 0 | 0 | 113 | ||||
| 283 | P | 41.2 | Very low | 40.5 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -98.3 | 163.7 | -146.1 | 37.3 | -34.8 | 0 | 0 | 0 | 115.9 | ||||
| 284 | S | 31.4 | Very low | 41.3 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -39.8 | 138.3 | 167.2 | -57.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 285 | A | 36.3 | Very low | 41.2 | Very low | 93 Ų | 93 | 123.1 Ų | 123.1 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -118.1 | 107.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 286 | T | 34.5 | Very low | 41.5 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | 69.5 | 110.9 | 130.1 | -44.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 287 | I | 39.6 | Very low | 41.4 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | trans | -63.4 | 138.9 | 166.8 | -65.6 | 157.8 | 0 | 0 | 0 | 111.6 | ||||
| 288 | G | 33.8 | Very low | 42.2 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | -135.3 | 147.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 289 | P | 45.1 | Very low | 42.3 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 157.4 | -142.5 | 33.9 | -36.5 | 0 | 0 | 0 | 115 | ||
| 290 | P | 42.3 | Very low | 42.5 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 122.1 | 168.4 | 33.4 | -27.3 | 0 | 0 | 0 | 110.3 | ||
| 291 | S | 42.4 | Very low | 42.6 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 121.4 | 173.8 | -76.1 | 0 | 0 | 0 | 0 | 112 | ||
| 292 | A | 41.5 | Very low | 42.8 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 59.7 | 104.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 293 | I | 45.6 | Very low | 41.8 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82 | 134.9 | 159.4 | -62 | 165.1 | 0 | 0 | 0 | 108.8 | ||
| 294 | P | 55.3 | Low | 41.9 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 136.7 | 158.7 | 31.7 | -26.5 | 0 | 0 | 0 | 110.6 | ||
| 295 | P | 40.4 | Very low | 43.2 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 134.4 | 174.3 | 33.9 | -29.1 | 0 | 0 | 0 | 109.8 | ||
| 296 | N | 47 | Very low | 43.9 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | 153 | 96.8 | 147 | -78.6 | -14.7 | 0 | 0 | 0 | 110.9 | ||||
| 297 | W | 41.7 | Very low | 44 | Very low | 247 Ų | 247 | 130.7 Ų | 130.7 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | -136.6 | 134.4 | 150.5 | -113 | -57.1 | 0 | 0 | 0 | 109.3 | ||||
| 298 | P | 55.9 | Low | 44.5 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -73.5 | 136.9 | -177.4 | -8.4 | 25.7 | 0 | 0 | 0 | 110.8 | ||||
| 299 | T | 36.5 | Very low | 44.9 | Very low | 131 Ų | 131 | 133 Ų | 133 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -75.3 | 115.5 | 167.6 | -59.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 300 | S | 45.1 | Very low | 45.4 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -97.9 | 111.1 | 162.2 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 301 | Q | 40.5 | Very low | 46.1 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 140.7 | 163.5 | -68.3 | 179.5 | -12.7 | 0 | 0 | 109.2 | ||||
| 302 | G | 41.7 | Very low | 46 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | 178 | 74.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 303 | T | 39.6 | Very low | 46.3 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | 45.2 | 114.9 | 137.5 | -43.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 304 | L | 43.6 | Very low | 45.9 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -56.3 | 153.5 | 163.5 | -73.9 | 150.6 | 0 | 0 | 0 | 113.6 | ||||
| 305 | P | 60 | Low | 45.2 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | -127.8 | 164.9 | 126.4 | 13.2 | 7.7 | 0 | 0 | 0 | 112.8 | |||||
| 306 | P | 50.2 | Low | 45 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -94.8 | 153 | -149.9 | 35.9 | -34.1 | 0 | 0 | 0 | 115.2 | ||||
| 307 | S | 37.3 | Very low | 44.6 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 26.5 | 108.3 | 136.8 | -158.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 308 | I | 48.8 | Very low | 44.3 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -113.3 | 116.5 | 155.8 | -60.9 | 176.8 | 0 | 0 | 0 | 107.5 | ||||
| 309 | T | 43.2 | Very low | 43.5 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 140.3 | 174.2 | 30.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 310 | P | 54.7 | Low | 43.4 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 143.4 | 166.2 | 33.2 | -29.1 | 0 | 0 | 0 | 111 | ||
| 311 | P | 58.1 | Low | 43.1 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 134.1 | 171.2 | 30.2 | -29.6 | 0 | 0 | 0 | 111.1 | ||
| 312 | N | 39 | Very low | 43 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 121.6 | 171.8 | 179 | -17.3 | 0 | 0 | 0 | 109.4 | ||
| 313 | I | 47.5 | Very low | 43.6 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | trans | -131.2 | 106.2 | 164 | -58.2 | 179 | 0 | 0 | 0 | 107.9 | ||||
| 314 | K | 38.1 | Very low | 43.3 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -92.3 | 158.8 | 162.2 | -70.8 | -179.8 | 176.5 | -178.1 | 0 | 108.9 | ||||
| 315 | Q | 39.9 | Very low | 43.1 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | 81 | 119.4 | 176.9 | -55.4 | 172.4 | -22.6 | 0 | 0 | 111.7 | ||||
| 316 | F | 36.2 | Very low | 42.1 | Very low | 204 Ų | 204 | 144.9 Ų | 144.9 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | -144.1 | 144.7 | 57.5 | -85.4 | -96.4 | 0 | 0 | 0 | 113.6 | |||||
| 317 | E | 39.7 | Very low | 41.4 | Very low | 168 Ų | 168 | 150.3 Ų | 150.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -100.6 | 150.6 | 173.1 | -165.3 | -174.8 | 141.3 | 0 | 0 | 108.9 | ||||
| 318 | K | 34.9 | Very low | 41.4 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 89.1 | 145.7 | 146.2 | -141.1 | 169.5 | -174.4 | 171.9 | 0 | 119.4 | ||||
| 319 | I | 38.3 | Very low | 40.8 | Very low | 158 Ų | 158 | 148.4 Ų | 148.4 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 88.3 | 125.8 | 163.7 | -47.5 | 167.4 | 0 | 0 | 0 | 112.7 | ||||
| 320 | A | 35.6 | Very low | 40.6 | Very low | 92 Ų | 92 | 150.4 Ų | 150.4 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -162.6 | 166.9 | 2.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 321 | E | 39.2 | Very low | 39.8 | Very low | 184 Ų | 184 | 149.2 Ų | 149.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 162.7 | 168 | -85.8 | 174.1 | 129.4 | 0 | 0 | 115.7 | ||
| 322 | P | 37.5 | Very low | 38.5 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 146.8 | 179.8 | 35 | -32.1 | 0 | 0 | 0 | 112.4 | ||
| 323 | P | 54.9 | Low | 38.7 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 121.4 | 174.5 | 32 | -29.9 | 0 | 0 | 0 | 111.7 | ||
| 324 | T | 32.9 | Very low | 38.2 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 130 | 146.9 | 40 | 0 | 0 | 0 | 0 | 108.8 | ||
| 325 | L | 40.1 | Very low | 38.2 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -153.8 | 151 | 152.6 | -139 | 90.7 | 0 | 0 | 0 | 113.5 | ||||
| 326 | D | 37.1 | Very low | 38 | Very low | 145 Ų | 145 | 145.4 Ų | 145.4 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | -75 | 153.5 | -164.6 | -77.6 | -61.1 | 0 | 0 | 0 | 117.6 | ||||
| 327 | R | 35.7 | Very low | 38 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -15.1 | 129.8 | 142.1 | -172.2 | -179.6 | -168.5 | 178.6 | 1.1 | 116.8 | ||||
| 328 | T | 38.2 | Very low | 37.9 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 176.8 | 103.8 | 130.7 | -65.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 329 | T | 35.6 | Very low | 37.9 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 74.4 | 126.9 | 96.7 | -31.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 330 | I | 40.3 | Very low | 37.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 100.8 | 128.7 | 149.5 | -40.7 | -176.5 | 0 | 0 | 0 | 119.4 | ||||
| 331 | A | 36.9 | Very low | 38.3 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 93.3 | 96.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 332 | S | 30.3 | Very low | 38.3 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -61.1 | 168.9 | 140.7 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 333 | P | 43.8 | Very low | 38.3 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -154.3 | -174 | 34.7 | 35.4 | -8.4 | 0 | 0 | 0 | 118.6 | ||||
| 334 | T | 36.9 | Very low | 37.6 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | 107.1 | 98.8 | 142.2 | -39.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 335 | Q | 37.8 | Very low | 37.8 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -6 | 139.3 | 144.7 | -54.3 | 176.7 | 26.1 | 0 | 0 | 119.2 | ||||
| 336 | T | 36 | Very low | 37.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | trans | -147 | 137.3 | 134.9 | -44.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 337 | T | 36.2 | Very low | 37.6 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -83.7 | 163.5 | -167.8 | -22.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 338 | L | 36.9 | Very low | 37.8 | Very low | 170 Ų | 170 | 132.4 Ų | 132.4 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | 139.1 | 136.2 | 117.4 | -143 | 78.2 | 0 | 0 | 0 | 116.2 | |||||
| 339 | G | 36 | Very low | 38.3 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 105.8 | 96.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 340 | S | 36.4 | Very low | 38.5 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | cis | 69.9 | 110.4 | 38 | 79 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 341 | H | 45.9 | Very low | 38.4 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 78% | 0.778 | 78% | 0.782 | S | S | * | * | trans | 173.6 | 108.4 | 136.5 | -89.4 | -61.9 | 0 | 0 | 0 | 108.8 | ||||
| 342 | D | 39.6 | Very low | 38.7 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | 73.2 | 108.5 | 96.9 | -75.1 | -39.1 | 0 | 0 | 0 | 114.1 | |||||
| 343 | S | 37.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | 85.5 | 121.4 | 73.3 | -79.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 344 | L | 38.9 | Very low | 39.2 | Very low | 165 Ų | 165 | 136 Ų | 136 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | 175.4 | 104.8 | 144.3 | -92.1 | 157.7 | 0 | 0 | 0 | 109.5 | ||||
| 345 | V | 38.5 | Very low | 39.8 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | 71.2 | 102.3 | 98.7 | 175.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 346 | L | 30.6 | Very low | 39.9 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | 61.6 | 105.2 | 74 | -165.2 | 80.4 | 0 | 0 | 0 | 115.8 | |||||
| 347 | V | 41.4 | Very low | 40.1 | Very low | 135 Ų | 135 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 124.2 | 144.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 348 | Q | 41.3 | Very low | 40.8 | Very low | 184 Ų | 184 | 139.9 Ų | 139.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -117.6 | 154.2 | 151.7 | -92.5 | -167.5 | -17.3 | 0 | 0 | 107.7 | ||||
| 349 | P | 47.2 | Very low | 41 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -141.1 | 138.1 | 131.1 | 32.1 | -15.4 | 0 | 0 | 0 | 111.4 | ||||
| 350 | E | 40.6 | Very low | 41.4 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | 83.2 | 111.1 | 68.9 | -146.1 | -174.9 | 165.9 | 0 | 0 | 115.9 | |||||
| 351 | M | 37 | Very low | 41.7 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 25.3 | 136.1 | 149.5 | -54.3 | -178.4 | 67.2 | 0 | 0 | 122.9 | ||||
| 352 | S | 43.2 | Very low | 41.9 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | 176.1 | 133.9 | 112.8 | -82.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 353 | A | 43 | Very low | 42.2 | Very low | 102 Ų | 102 | 144.6 Ų | 144.6 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | 70.7 | 131.9 | 135.3 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 354 | V | 42.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -81.9 | 170.4 | 175.5 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 355 | P | 49.6 | Very low | 43.1 | Very low | 127 Ų | 127 | 145 Ų | 145 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -147.5 | 169.8 | 94 | 33.9 | -13.2 | 0 | 0 | 0 | 117.4 | |||||
| 356 | K | 40.4 | Very low | 43.1 | Very low | 187 Ų | 187 | 144.2 Ų | 144.2 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 162.9 | -171.4 | -60.4 | 165.4 | 174.8 | 173.9 | 0 | 116.7 | ||||
| 357 | T | 39.4 | Very low | 43.9 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | 148.6 | 125.2 | 100.7 | -42 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 358 | K | 50.1 | Low | 44 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | 151.7 | 120.6 | 120.5 | -79.2 | -171 | -178 | -179.8 | 0 | 113.9 | |||||
| 359 | Q | 41.3 | Very low | 44.3 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | -69.6 | -173.3 | 171.7 | -118.1 | -176 | -20 | 0 | 0 | 112.1 | ||||
| 360 | P | 45.9 | Very low | 44 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -150 | 167.8 | 30.6 | 20.8 | 8.9 | 0 | 0 | 0 | 121.9 | ||||
| 361 | Q | 41.4 | Very low | 43.9 | Very low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | 67.1 | 131.2 | 138.8 | -57.8 | -115.8 | -8.4 | 0 | 0 | 122.2 | ||||
| 362 | I | 50.5 | Low | 44.3 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | 175.7 | 132.4 | 91.5 | -79.4 | 179.6 | 0 | 0 | 0 | 111.5 | |||||
| 363 | E | 45.8 | Very low | 44.2 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 51.5 | 136.6 | 152.8 | -64.3 | 160.2 | -171.1 | 0 | 0 | 121.4 | ||||
| 364 | N | 48.8 | Very low | 44.3 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -166.7 | 130.9 | 47.8 | -145.5 | 5.2 | 0 | 0 | 0 | 114.6 | ||||
| 365 | I | 47.2 | Very low | 44 | Very low | 141 Ų | 141 | 142 Ų | 142 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | 36.3 | 107.5 | 141 | -56.2 | 172.5 | 0 | 0 | 0 | 123.3 | ||||
| 366 | T | 38.8 | Very low | 43.8 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | 48.5 | 119.7 | 115.1 | -36.6 | 0 | 0 | 0 | 0 | 124.4 | V368 | T366-V368 HydrophobicContact CG2-CG2 4.08Š| |||
| 367 | Q | 45.6 | Very low | 43.8 | Very low | 189 Ų | 189 | 140.8 Ų | 140.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 170.3 | 150.5 | 114.3 | -92.3 | -174.7 | 0.8 | 0 | 0 | 110.3 | |||||
| 368 | V | 43.8 | Very low | 43.6 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | cis | 178.8 | 123.7 | -44.9 | 138.8 | 0 | 0 | 0 | 0 | 105.6 | T366 | T366-V368 HydrophobicContact CG2-CG2 4.08Š| ||
| 369 | V | 47.2 | Very low | 43.5 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 84 | 146 | 141.3 | 174 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 370 | P | 42.3 | Very low | 43.5 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | cis | -145.5 | 171.6 | -45.7 | 46 | -27.2 | 0 | 0 | 0 | 115.5 | ||||
| 371 | Q | 38.8 | Very low | 43.8 | Very low | 183 Ų | 183 | 140.7 Ų | 140.7 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | 30.4 | 128.8 | 140.3 | -66.5 | 175.8 | -25.5 | 0 | 0 | 122.6 | ||||
| 372 | S | 45.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | -167.8 | 142 | 103 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 373 | S | 40.2 | Very low | 43.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -104 | 128.6 | -179.3 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 374 | E | 44.4 | Very low | 43.6 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -140.7 | 121.8 | 154.7 | -79.2 | -166.4 | 151.5 | 0 | 0 | 111 | ||||
| 375 | S | 37.9 | Very low | 44.1 | Very low | 102 Ų | 102 | 138.6 Ų | 138.6 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 138.2 | 166.9 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 376 | F | 44 | Very low | 44.4 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -148.2 | 141.3 | 145.4 | -86.1 | -70.3 | 0 | 0 | 0 | 112.1 | ||||
| 377 | A | 41.8 | Very low | 44.9 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -85.1 | 148.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 378 | T | 34 | Very low | 45.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 38.9 | 113.8 | 133.6 | -36 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 379 | V | 47.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 148.3 Ų | 148.3 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -137.9 | 116.1 | 136.1 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 380 | E | 41.8 | Very low | 46.5 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 62% | 0.617 | 79% | 0.794 | S | S | * | * | trans | -77.9 | 139.3 | 177.2 | -170.3 | -175.6 | 156.4 | 0 | 0 | 110.8 | N382 | E380-N382 PolarHBondContact OE1-ND2 2.93Š| ||
| 381 | K | 52.7 | Low | 46.9 | Very low | 200 Ų | 200 | 155.3 Ų | 155.3 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -142 | 106 | 159.3 | -129.6 | 174.5 | -172.4 | 173.2 | 0 | 111.3 | ||||
| 382 | N | 42.5 | Very low | 47.7 | Very low | 119 Ų | 119 | 155 Ų | 155 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 129.2 | 178.6 | -71.6 | -56.6 | 0 | 0 | 0 | 112.5 | E380 | E380-N382 PolarHBondContact OE1-ND2 2.93Š| ||
| 383 | H | 50.9 | Low | 48.2 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -136.8 | 107.1 | 153.3 | -85.7 | -66.3 | 0 | 0 | 0 | 109.8 | ||||
| 384 | S | 40.4 | Very low | 48.5 | Very low | 122 Ų | 122 | 157 Ų | 157 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -75.1 | 129.6 | 174.9 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 385 | V | 59.4 | Low | 48.8 | Very low | 127 Ų | 127 | 154.3 Ų | 154.3 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -123 | 132 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | K387 | V385-K387 PolarHBondContact O-N 3.44Š| ||
| 386 | P | 52.9 | Low | 49 | Very low | 118 Ų | 118 | 156.2 Ų | 156.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -74 | 130.7 | -166.9 | 27.4 | -31.7 | 0 | 0 | 0 | 112 | R388 | P386-R388 PolarHBondContact O-N 2.8Š| ||
| 387 | K | 50.5 | Low | 49.1 | Very low | 210 Ų | 210 | 154 Ų | 154 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | trans | -61.5 | 111.7 | 177.4 | -69.7 | 177.8 | 177.7 | 175.8 | 0 | 110.6 | V385 K389 | V385-K387 PolarHBondContact O-N 3.44Å; K387-K389 PolarHBondContact O-N 3.49Å | ||
| 388 | R | 57.5 | Low | 49.5 | Very low | 233 Ų | 233 | 154.4 Ų | 154.4 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | trans | -69.3 | 116.3 | 166.6 | -98.1 | -175.1 | 173.8 | -172.1 | -1.7 | 109.8 | P386 K390 | P386-R388 PolarHBondContact O-N 2.8Å; R388-K390 PolarHBondContact O-N 2.83Å | ||
| 389 | K | 52.6 | Low | 50.1 | Low | 194 Ų | 194 | 157.1 Ų | 157.1 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -59 | 112.9 | 165.5 | -67.4 | -179.9 | 178.7 | -178.9 | 0 | 109 | K387 | K387-K389 PolarHBondContact O-N 3.49Š| ||
| 390 | K | 58.7 | Low | 50.3 | Low | 179 Ų | 179 | 158.8 Ų | 158.8 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -102.4 | 102.4 | 166.8 | -75.5 | -174.4 | 179.9 | 179.7 | 0 | 108.3 | R388 F392 | R388-K390 PolarHBondContact O-N 2.83Å; K390-F392 VanDerWaalsContact C-N 3.34Å; K390-F392 PolarHBondContact O-N 2.83Å | ||
| 391 | F | 52 | Low | 50.8 | Low | 194 Ų | 194 | 156.6 Ų | 156.6 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | -70.2 | 91.3 | 158.8 | -90.6 | -95.7 | 0 | 0 | 0 | 107.8 | ||||
| 392 | F | 53.8 | Low | 50.9 | Low | 176 Ų | 176 | 155.2 Ų | 155.2 | 77% | 0.772 | 78% | 0.78 | S | S | * | * | trans | -139.8 | 122.6 | 156.3 | -86.3 | -82.8 | 0 | 0 | 0 | 106.1 | K390 E394 | K390-F392 VanDerWaalsContact C-N 3.34Å; K390-F392 PolarHBondContact O-N 2.83Å; F392-E394 PolarHBondContact O-N 2.9Å | ||
| 393 | P | 55.9 | Low | 51 | Low | 118 Ų | 118 | 154.2 Ų | 154.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -62.5 | 107.3 | 170.1 | 25.8 | -29.5 | 0 | 0 | 0 | 106.8 | V395 | P393-V395 VanDerWaalsContact C-N 3.29Å; P393-V395 PolarHBondContact O-N 2.66Å | ||
| 394 | E | 46.2 | Very low | 51.1 | Low | 157 Ų | 157 | 151.3 Ų | 151.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -61.8 | 98.7 | 165.3 | -171.5 | 175.4 | 161.5 | 0 | 0 | 105.9 | F392 K396 | F392-E394 PolarHBondContact O-N 2.9Å; E394-K396 HydrophobicContact CG-CG 4.22Å; E394-K396 PolarHBondContact O-N 3.36Å | ||
| 395 | V | 51.3 | Low | 51.6 | Low | 125 Ų | 125 | 155.5 Ų | 155.5 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 90.6 | 165.8 | -177.4 | 0 | 0 | 0 | 0 | 104.9 | P393 L397 | P393-V395 VanDerWaalsContact C-N 3.29Å; P393-V395 PolarHBondContact O-N 2.66Å; V395-L397 PolarHBondContact O-N 2.71Å | ||
| 396 | K | 41.7 | Very low | 51.4 | Low | 142 Ų | 142 | 152 Ų | 152 | 62% | 0.617 | 77% | 0.773 | S | S | * | * | trans | -62.9 | 85.8 | 171.3 | -77.7 | -175.7 | 177.2 | -179.6 | 0 | 107.7 | E394 T398 | E394-K396 HydrophobicContact CG-CG 4.22Å; E394-K396 PolarHBondContact O-N 3.36Å; K396-T398 WeakPolarHBondContact CB-OG1 3.48Å; K396-T398 PolarHBondContact O-N 3.25Å | ||
| 397 | L | 46.6 | Very low | 51.4 | Low | 154 Ų | 154 | 154.3 Ų | 154.3 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 56.4 | 163.4 | -158.1 | 78.1 | 0 | 0 | 0 | 108.3 | V395 | V395-L397 PolarHBondContact O-N 2.71Š|
| 398 | T | 50.3 | Low | 51.8 | Low | 95 Ų | 95 | 151.1 Ų | 151.1 | 58% | 0.583 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.5 | 7.5 | -173.9 | -1.9 | 0 | 0 | 0 | 0 | 112.1 | K396 | K396-T398 WeakPolarHBondContact CB-OG1 3.48Å; K396-T398 PolarHBondContact O-N 3.25Å |
| 399 | Q | 45.9 | Very low | 51.9 | Low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -117.2 | 9.4 | -179.6 | -78.5 | -175.5 | -22.3 | 0 | 0 | 115.2 | ||
| 400 | M | 53.1 | Low | 52.3 | Low | 182 Ų | 182 | 143.2 Ų | 143.2 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -100.2 | 6.4 | 172.4 | -65.4 | -173.6 | -171.3 | 0 | 0 | 114.3 | ||
| 401 | A | 52.8 | Low | 52.5 | Low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -105.1 | 7.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 402 | H | 53.1 | Low | 53.3 | Low | 171 Ų | 171 | 138.3 Ų | 138.3 | 79% | 0.792 | 74% | 0.737 | S | S | * | * | trans | -119.8 | 23.8 | -172.8 | -70.1 | -84.1 | 0 | 0 | 0 | 114.4 | ||||
| 403 | S | 46.6 | Very low | 54.4 | Low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | trans | -100.6 | 114.6 | 176.2 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 404 | T | 51.6 | Low | 55.9 | Low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 73% | 0.727 | S | S | * | * | trans | 69.9 | 81.7 | 146.8 | 52 | 0 | 0 | 0 | 0 | 118.2 | G406 | T404-G406 PolarHBondContact O-N 3.3Š| ||
| 405 | Q | 51.4 | Low | 58 | Low | 211 Ų | 211 | 131 Ų | 131 | 99% | 0.986 | 70% | 0.698 | S | S | * | * | 7.5 | 76.9 | 121.7 | -160.1 | 161.9 | 4.8 | 0 | 0 | 115.8 | |||||
| 406 | G | 54 | Low | 60.1 | Low | 52 Ų | 52 | 128.4 Ų | 128.4 | 54% | 0.536 | 69% | 0.685 | S | S | . | * | trans | -139.6 | 121.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | T404 N408 | T404-G406 PolarHBondContact O-N 3.3Å; G406-N408 PolarHBondContact O-N 3.28Å | ||
| 407 | D | 54.5 | Low | 62.7 | Low | 167 Ų | 167 | 124.6 Ų | 124.6 | 89% | 0.893 | 67% | 0.667 | S | S | * | * | trans | -71.3 | 58.6 | -177.5 | -161 | 10.6 | 0 | 0 | 0 | 111 | ||||
| 408 | N | 58.1 | Low | 65.1 | Low | 143 Ų | 143 | 118.8 Ų | 118.8 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | trans | -107.2 | 102.4 | 162.7 | -74.9 | -34.3 | 0 | 0 | 0 | 104.6 | G406 L410 | G406-N408 PolarHBondContact O-N 3.28Å; N408-L410 PolarHBondContact O-N 3.35Å | ||
| 409 | D | 59 | Low | 67.4 | Low | 113 Ų | 113 | 119.5 Ų | 119.5 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | trans | -60.2 | 68.8 | 168.9 | -166.7 | 17 | 0 | 0 | 0 | 108.6 | R411 | D409-R411 PolarHBondContact O-N 3.22Å; D409-R411 VanDerWaalsContact OD1-CG 3.23Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 IonicContact OD1-NE 3.87Å; D409-R411 IonicContact OD2-CZ 2.63Å; D409-R411 IonicContact OD2-NE 3.19Å; D409-R411 PolarHBondContact OD2-NE 3.28Å; D409-R411 IonicContact OD2-NH2 2.67Å; D409-R411 PolarHBondContact OD2-NH2 3.25Å | ||
| 410 | L | 62.6 | Low | 69.9 | Low | 149 Ų | 149 | 114.8 Ų | 114.8 | 78% | 0.78 | 62% | 0.623 | S | S | * | * | trans | -70.3 | 74.7 | 165.4 | -164.8 | 79.8 | 0 | 0 | 0 | 104.2 | N408 V412 | N408-L410 PolarHBondContact O-N 3.35Å; L410-V412 PolarHBondContact O-N 2.08Å | ||
| 411 | R | 62.2 | Low | 72 | Confident | 172 Ų | 172 | 108.5 Ų | 108.5 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | trans | -54.7 | 95.5 | 168.1 | -71.2 | -173.6 | -177.8 | 179.3 | 0.1 | 104.6 | D409 H413 | D409-R411 PolarHBondContact O-N 3.22Å; D409-R411 VanDerWaalsContact OD1-CG 3.23Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 IonicContact OD1-NE 3.87Å; D409-R411 IonicContact OD2-CZ 2.63Å; D409-R411 IonicContact OD2-NE 3.19Å; D409-R411 PolarHBondContact OD2-NE 3.28Å; D409-R411 IonicContact OD2-NH2 2.67Å; D409-R411 PolarHBondContact OD2-NH2 3.25Å; R411-H413 PolarHBondContact O-CD2 3.18Å; R411-H413 PolarHBondContact O-N 3.28Å | ||
| 412 | V | 69.7 | Low | 74.2 | Confident | 97 Ų | 97 | 110.8 Ų | 110.8 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | trans | -58 | 97.9 | 168 | 176.9 | 0 | 0 | 0 | 0 | 103 | L410 Q414 | L410-V412 PolarHBondContact O-N 2.08Å; V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 WeakPolarHBondContact O-CG 3.4Å; V412-Q414 PolarHBondContact O-N 2.91Å | ||
| 413 | H | 76 | Confident | 76.2 | Confident | 120 Ų | 120 | 105.7 Ų | 105.7 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | trans | -62.9 | 103 | -175.6 | -72.3 | -78.4 | 0 | 0 | 0 | 105.5 | R411 P440 | R411-H413 PolarHBondContact O-CD2 3.18Å; R411-H413 PolarHBondContact O-N 3.28Å; H413-P440 HydrophobicContact CB-CB 3.67Å; H413-P440 HydrophobicContact CB-CG 3.22Å; H413-P440 WeakPolarHBondContact O-CG 3.37Å | ||
| 414 | Q | 86.8 | Confident | 78.5 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 77% | 0.766 | 55% | 0.554 | S | S | * | * | trans | -70.5 | 139.8 | -178.1 | -67.5 | -176.4 | -10.6 | 0 | 0 | 107.7 | V412 S416 | V412-Q414 VanDerWaalsContact C-N 3.31Å; V412-Q414 WeakPolarHBondContact O-CG 3.4Å; V412-Q414 PolarHBondContact O-N 2.91Å; Q414-S416 PolarHBondContact O-N 2.96Å | ||
| 415 | A | 91.5 | Very high | 80.5 | Confident | 15 Ų | 15 | 100.4 Ų | 100.4 | 12% | 0.124 | 54% | 0.543 | C | S | . | . | trans | -56.9 | 133.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | N438 Y439 T447 C449 | A415-N438 WeakPolarHBondContact CA-O 3.02Å; A415-Y439 HydrophobicContact CB-CD1 3.7Å; A415-Y439 HydrophobicContact CB-CE1 3.73Å; A415-Y439 HydrophobicContact CB-CG 4.46Å; A415-T447 WeakPolarHBondContact CB-O 3.45Å; A415-C449 VanDerWaalsContact C-SG 3.5Å | ||
| 416 | S | 94.1 | Very high | 82.4 | Confident | 70 Ų | 70 | 91.1 Ų | 91.1 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.8 | -174.6 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | Q414 N438 C449 | Q414-S416 PolarHBondContact O-N 2.96Å; S416-N438 PolarHBondContact N-O 3.24Å; S416-N438 WeakPolarHBondContact O-CB 3.46Å; S416-N438 PolarHBondContact O-N 3.17Å; S416-C449 PolarHBondContact O-SG 3.48Å; S416-C449 VanDerWaalsContact O-SG 3.36Å |
| 417 | W | 97.2 | Very high | 84.1 | Confident | 62 Ų | 62 | 94.1 Ų | 94.1 | 24% | 0.235 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 138.2 | 174.1 | -76.9 | 115.5 | 0 | 0 | 0 | 110.8 | R435 C437 C449 P450 G451 | W417-R435 VanDerWaalsContact CD1-CZ 3.5Å; W417-R435 HydrophobicContact CD2-CG 4.11Å; W417-R435 HydrophobicContact CE3-CB 4.32Å; W417-R435 HydrophobicContact CE3-CG 3.54Å; W417-R435 HydrophobicContact CZ3-CG 3.96Å; W417-C437 HydrophobicContact CE3-CB 4.14Å; W417-C437 HydrophobicContact CH2-CB 4.29Å; W417-C437 HydrophobicContact CZ3-CB 3.83Å; W417-C449 HydrophobicContact CD2-CB 3.57Å; W417-C449 HydrophobicContact CE3-CB 4.1Å; W417-C449 HydrophobicContact CG-CB 4.01Å; W417-C449 HydrophobicContact CH2-CB 4.01Å; W417-C449 HydrophobicContact CZ2-CB 3.48Å; W417-C449 VanDerWaalsContact CZ2-CB 3.48Å; W417-C449 WeakPolarHBondContact CZ2-O 3.34Å; W417-C449 HydrophobicContact CZ3-CB 4.31Å; W417-P450 PolarHBondContact NE1-O 3.47Å; W417-G451 WeakPolarHBondContact CZ2-O 3.49Å |
| 418 | S | 97.3 | Very high | 85.8 | Confident | 31 Ų | 31 | 89.4 Ų | 89.4 | 22% | 0.217 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 163.1 | 162.5 | 79.3 | 0 | 0 | 0 | 0 | 110.4 | T436 | S418-T436 WeakPolarHBondContact CB-O 3.48Å; S418-T436 PolarHBondContact N-O 3.36Å; S418-T436 PolarHBondContact OG-N 2.03Å; S418-T436 PolarHBondContact OG-O 3.08Å |
| 419 | S | 97.9 | Very high | 87.3 | Confident | 111 Ų | 111 | 87.4 Ų | 87.4 | 78% | 0.776 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 147.1 | 162.4 | -58.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 420 | W | 98.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 88.3 Ų | 88.3 | 29% | 0.288 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 141.3 | 172.2 | -75.1 | 109.2 | 0 | 0 | 0 | 111 | R433 R435 E455 | W420-R433 HydrophobicContact CD2-CG 4.26Å; W420-R433 HydrophobicContact CE3-CB 4.43Å; W420-R433 HydrophobicContact CE3-CG 3.69Å; W420-R433 HydrophobicContact CZ3-CG 4.16Å; W420-R435 HydrophobicContact CD2-CB 4.14Å; W420-R435 HydrophobicContact CD2-CG 4.09Å; W420-R435 HydrophobicContact CE3-CB 3.78Å; W420-R435 HydrophobicContact CE3-CG 3.72Å; W420-R435 HydrophobicContact CH2-CG 3.81Å; W420-R435 HydrophobicContact CZ2-CG 4.15Å; W420-R435 VanDerWaalsContact CZ2-NE 3.27Å; W420-R435 HydrophobicContact CZ3-CB 4.12Å; W420-R435 HydrophobicContact CZ3-CG 3.58Å; W420-E455 HydrophobicContact CH2-CB 3.94Å; W420-E455 HydrophobicContact CZ3-CB 4.08Å |
| 421 | S | 98 | Very high | 90.5 | Very high | 50 Ų | 50 | 85.6 Ų | 85.6 | 35% | 0.35 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -62 | 162.3 | 168.4 | 76.7 | 0 | 0 | 0 | 0 | 110.8 | R433 T434 | S421-R433 WeakPolarHBondContact OG-CA 3.33Å; S421-T434 WeakPolarHBondContact CB-O 3.42Å; S421-T434 PolarHBondContact N-O 2.76Å; S421-T434 PolarHBondContact OG-N 3.18Å; S421-T434 PolarHBondContact OG-O 3Å |
| 422 | V | 97.6 | Very high | 92.1 | Very high | 134 Ų | 134 | 80 Ų | 80 | 81% | 0.812 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 144.7 | 165.2 | -173.4 | 0 | 0 | 0 | 0 | 108.9 | ||
| 423 | W | 96.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 78.1 Ų | 78.1 | 24% | 0.242 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 139.5 | 172.3 | -74.8 | 107.3 | 0 | 0 | 0 | 110.7 | R431 S432 R433 E455 I457 | W423-R431 HydrophobicContact CD2-CG 4.26Å; W423-R431 HydrophobicContact CE3-CB 4.23Å; W423-R431 HydrophobicContact CE3-CG 3.77Å; W423-R431 HydrophobicContact CZ3-CG 4.35Å; W423-R431 WeakPolarHBondContact CZ3-O 3.43Å; W423-S432 VanDerWaalsContact CE3-C 3.49Å; W423-R433 HydrophobicContact CD2-CB 4.17Å; W423-R433 HydrophobicContact CD2-CG 4.12Å; W423-R433 VanDerWaalsContact CE2-CD 3.5Å; W423-R433 HydrophobicContact CE3-CB 3.89Å; W423-R433 HydrophobicContact CE3-CG 3.87Å; W423-R433 HydrophobicContact CH2-CG 3.69Å; W423-R433 VanDerWaalsContact CZ2-CD 3.45Å; W423-R433 HydrophobicContact CZ2-CG 3.98Å; W423-R433 VanDerWaalsContact CZ2-NE 3.28Å; W423-R433 HydrophobicContact CZ3-CB 4.11Å; W423-R433 HydrophobicContact CZ3-CG 3.64Å; W423-E455 HydrophobicContact CH2-CB 4.3Å; W423-E455 HydrophobicContact CH2-CG 3.98Å; W423-I457 HydrophobicContact CD2-CD1 4.17Å; W423-I457 HydrophobicContact CE3-CD1 4.2Å; W423-I457 HydrophobicContact CE3-CG1 4.1Å; W423-I457 HydrophobicContact CH2-CB 4.14Å; W423-I457 HydrophobicContact CH2-CD1 3.53Å; W423-I457 HydrophobicContact CH2-CG1 3.54Å; W423-I457 HydrophobicContact CH2-CG2 3.63Å; W423-I457 HydrophobicContact CZ2-CD1 3.43Å; W423-I457 VanDerWaalsContact CZ2-CD1 3.43Å; W423-I457 HydrophobicContact CZ2-CG1 4.01Å; W423-I457 HydrophobicContact CZ2-CG2 4.29Å; W423-I457 HydrophobicContact CZ3-CB 4.42Å; W423-I457 HydrophobicContact CZ3-CD1 3.91Å; W423-I457 HydrophobicContact CZ3-CG1 3.57Å; W423-I457 HydrophobicContact CZ3-CG2 4.3Å |
| 424 | S | 94.8 | Very high | 94.5 | Very high | 34 Ų | 34 | 76.1 Ų | 76.1 | 24% | 0.238 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 164.5 | 166.9 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | R431 S432 | S424-R431 WeakPolarHBondContact O-CB 3.32Å; S424-R431 WeakPolarHBondContact OG-CA 3.34Å; S424-S432 WeakPolarHBondContact CB-O 3.35Å; S424-S432 PolarHBondContact N-O 2.98Å; S424-S432 PolarHBondContact OG-N 3.43Å; S424-S432 PolarHBondContact OG-O 2.97Å |
| 425 | S | 92.4 | Very high | 95 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 51% | 0.51 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 155 | 165.1 | 50.2 | 0 | 0 | 0 | 0 | 111 | M427 | S425-M427 PolarHBondContact O-N 3.49Š|
| 426 | C | 92.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 74.4 Ų | 74.4 | 12% | 0.115 | 40% | 0.4 | C | S | . | . | trans | -76.1 | 86.4 | -179.3 | -172.2 | 0 | 0 | 0 | 0 | 110.2 | R430 C459 | C426-R430 CarbonylContact C-O 3.54Å; C426-C459 WeakPolarHBondContact CA-SG 2.99Å; C426-C459 HydrophobicContact CB-CB 3.93Å; C426-C459 WeakPolarHBondContact CB-SG 3.26Å; C426-C459 WeakPolarHBondContact SG-CB 3.42Å; C426-C459 CovalentContact SG-SG 2.02Å; C426-C459 PolarHBondContact SG-SG 3.22Å | ||
| 427 | M | 88.7 | Confident | 95.3 | Very high | 115 Ų | 115 | 72.3 Ų | 72.3 | 57% | 0.567 | 39% | 0.385 | S | S | * | . | B | Isolated β-bridge | trans | -93.7 | 120.2 | 177.7 | -62.2 | -171.1 | 75.4 | 0 | 0 | 109.9 | S425 K429 R430 | S425-M427 PolarHBondContact O-N 3.49Å; M427-K429 PolarHBondContact O-N 3.18Å; M427-R430 CarbonylContact C-O 3.57Å; M427-R430 PolarHBondContact N-O 3.01Å; M427-R430 PolarHBondContact O-N 3.44Å |
| 428 | C | 89.8 | Confident | 95.2 | Very high | 67 Ų | 67 | 73 Ų | 73 | 45% | 0.453 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 45.6 | 176.9 | -45.4 | 0 | 0 | 0 | 0 | 113 | R430 C471 | C428-R430 PolarHBondContact O-N 3.03Å; C428-C471 WeakPolarHBondContact CA-SG 3.38Å; C428-C471 HydrophobicContact CB-CB 3.52Å; C428-C471 WeakPolarHBondContact CB-SG 3.45Å; C428-C471 PolarHBondContact N-SG 3.27Å; C428-C471 WeakPolarHBondContact SG-CB 3.41Å; C428-C471 CovalentContact SG-SG 2.03Å; C428-C471 PolarHBondContact SG-SG 2.79Å |
| 429 | K | 90.7 | Very high | 94.9 | Very high | 102 Ų | 102 | 76.5 Ų | 76.5 | 44% | 0.443 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 17.8 | -175.4 | -61.3 | 177.4 | 168.5 | 168.2 | 0 | 114 | M427 I458 C459 E468 | M427-K429 PolarHBondContact O-N 3.18Å; K429-I458 WeakPolarHBondContact O-CA 3.38Å; K429-I458 WeakPolarHBondContact O-CG2 2.96Å; K429-C459 PolarHBondContact O-N 3.18Å; K429-E468 VanDerWaalsContact CE-CD 3.48Å; K429-E468 VanDerWaalsContact CE-OE1 3.23Å; K429-E468 WeakPolarHBondContact CE-OE1 3.42Å; K429-E468 WeakPolarHBondContact CE-OE2 3.44Å; K429-E468 IonicContact NZ-OE1 2.76Å; K429-E468 PolarHBondContact NZ-OE1 3.48Å; K429-E468 IonicContact NZ-OE2 3.13Å; K429-E468 PolarHBondContact NZ-OE2 3.4Å |
| 430 | R | 93 | Very high | 94.5 | Very high | 131 Ų | 131 | 72.9 Ų | 72.9 | 49% | 0.494 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.5 | 177.3 | -63.9 | -176.9 | -176.5 | -174.2 | -1 | 111.1 | C426 M427 C428 I456 I457 C459 | C426-R430 CarbonylContact C-O 3.54Å; M427-R430 CarbonylContact C-O 3.57Å; M427-R430 PolarHBondContact N-O 3.01Å; M427-R430 PolarHBondContact O-N 3.44Å; C428-R430 PolarHBondContact O-N 3.03Å; R430-I456 HydrophobicContact CB-CG2 4.28Å; R430-I457 WeakPolarHBondContact CA-O 3.11Å; R430-C459 PolarHBondContact N-SG 3.43Å; R430-C459 VanDerWaalsContact N-SG 3.43Å |
| 431 | R | 95.4 | Very high | 93.9 | Very high | 92 Ų | 92 | 76.1 Ų | 76.1 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.1 | 168.1 | 57.9 | -175.9 | -177.3 | 171.6 | 2.6 | 109.4 | W423 S424 I457 C459 | W423-R431 HydrophobicContact CD2-CG 4.26Å; W423-R431 HydrophobicContact CE3-CB 4.23Å; W423-R431 HydrophobicContact CE3-CG 3.77Å; W423-R431 HydrophobicContact CZ3-CG 4.35Å; W423-R431 WeakPolarHBondContact CZ3-O 3.43Å; S424-R431 WeakPolarHBondContact O-CB 3.32Å; S424-R431 WeakPolarHBondContact OG-CA 3.34Å; R431-I457 HydrophobicContact CG-CD1 4.11Å; R431-I457 HydrophobicContact CG-CG1 3.62Å; R431-I457 PolarHBondContact N-O 3.19Å; R431-I457 VanDerWaalsContact NE-CD1 3.3Å; R431-I457 PolarHBondContact O-N 2.84Å; R431-C459 HydrophobicContact CG-CB 4.08Å |
| 432 | S | 96.2 | Very high | 93.2 | Very high | 54 Ų | 54 | 80.6 Ų | 80.6 | 38% | 0.378 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151 | -176.7 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | W423 S424 E455 | W423-S432 VanDerWaalsContact CE3-C 3.49Å; S424-S432 WeakPolarHBondContact CB-O 3.35Å; S424-S432 PolarHBondContact N-O 2.98Å; S424-S432 PolarHBondContact OG-N 3.43Å; S424-S432 PolarHBondContact OG-O 2.97Å; S432-E455 CarbonylContact C-O 3.52Å; S432-E455 WeakPolarHBondContact CA-O 3.19Å |
| 433 | R | 98 | Very high | 92.1 | Very high | 59 Ų | 59 | 75.2 Ų | 75.2 | 22% | 0.223 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 158.1 | 166.9 | 64.3 | -178.3 | -177 | 179.7 | -5.6 | 109.8 | W420 S421 W423 E455 | W420-R433 HydrophobicContact CD2-CG 4.26Å; W420-R433 HydrophobicContact CE3-CB 4.43Å; W420-R433 HydrophobicContact CE3-CG 3.69Å; W420-R433 HydrophobicContact CZ3-CG 4.16Å; S421-R433 WeakPolarHBondContact OG-CA 3.33Å; W423-R433 HydrophobicContact CD2-CB 4.17Å; W423-R433 HydrophobicContact CD2-CG 4.12Å; W423-R433 VanDerWaalsContact CE2-CD 3.5Å; W423-R433 HydrophobicContact CE3-CB 3.89Å; W423-R433 HydrophobicContact CE3-CG 3.87Å; W423-R433 HydrophobicContact CH2-CG 3.69Å; W423-R433 VanDerWaalsContact CZ2-CD 3.45Å; W423-R433 HydrophobicContact CZ2-CG 3.98Å; W423-R433 VanDerWaalsContact CZ2-NE 3.28Å; W423-R433 HydrophobicContact CZ3-CB 4.11Å; W423-R433 HydrophobicContact CZ3-CG 3.64Å; R433-E455 HydrophobicContact CG-CB 4.11Å; R433-E455 IonicContact CZ-OE2 2.79Å; R433-E455 PolarHBondContact N-O 2.99Å; R433-E455 IonicContact NE-OE2 3.45Å; R433-E455 PolarHBondContact NE-OE2 3.37Å; R433-E455 IonicContact NH2-OE1 3.27Å; R433-E455 IonicContact NH2-OE2 3.71Å; R433-E455 PolarHBondContact NH2-OE2 3.5Å; R433-E455 PolarHBondContact O-N 3.26Å |
| 434 | T | 97.7 | Very high | 90.9 | Very high | 78 Ų | 78 | 76.2 Ų | 76.2 | 48% | 0.479 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 157.6 | -177.7 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | S421 S453 | S421-T434 WeakPolarHBondContact CB-O 3.42Å; S421-T434 PolarHBondContact N-O 2.76Å; S421-T434 PolarHBondContact OG-N 3.18Å; S421-T434 PolarHBondContact OG-O 3Å; T434-S453 CarbonylContact C-O 3.54Å; T434-S453 WeakPolarHBondContact CA-O 3.13Å |
| 435 | R | 97.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 79.7 Ų | 79.7 | 20% | 0.2 | 42% | 0.424 | C | S | . | . | trans | -139.4 | 155.5 | 169.5 | 59.3 | 179.1 | -179.9 | 175.2 | 0 | 109.8 | W417 W420 E452 S453 | W417-R435 VanDerWaalsContact CD1-CZ 3.5Å; W417-R435 HydrophobicContact CD2-CG 4.11Å; W417-R435 HydrophobicContact CE3-CB 4.32Å; W417-R435 HydrophobicContact CE3-CG 3.54Å; W417-R435 HydrophobicContact CZ3-CG 3.96Å; W420-R435 HydrophobicContact CD2-CB 4.14Å; W420-R435 HydrophobicContact CD2-CG 4.09Å; W420-R435 HydrophobicContact CE3-CB 3.78Å; W420-R435 HydrophobicContact CE3-CG 3.72Å; W420-R435 HydrophobicContact CH2-CG 3.81Å; W420-R435 HydrophobicContact CZ2-CG 4.15Å; W420-R435 VanDerWaalsContact CZ2-NE 3.27Å; W420-R435 HydrophobicContact CZ3-CB 4.12Å; W420-R435 HydrophobicContact CZ3-CG 3.58Å; R435-E452 VanDerWaalsContact CZ-O 3.26Å; R435-E452 PolarHBondContact NE-O 3.36Å; R435-E452 PolarHBondContact NH2-O 3.02Å; R435-S453 PolarHBondContact N-O 2.78Å | ||
| 436 | T | 96 | Very high | 89.4 | Confident | 90 Ų | 90 | 82.6 Ų | 82.6 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | trans | -107.6 | 141.9 | -177.2 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | S418 N438 | S418-T436 WeakPolarHBondContact CB-O 3.48Å; S418-T436 PolarHBondContact N-O 3.36Å; S418-T436 PolarHBondContact OG-N 2.03Å; S418-T436 PolarHBondContact OG-O 3.08Å; T436-N438 PolarHBondContact O-N 3.22Å | ||
| 437 | C | 96.1 | Very high | 88.9 | Confident | 25 Ų | 25 | 86.2 Ų | 86.2 | 17% | 0.169 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.2 | 172.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | W417 Y439 C449 | W417-C437 HydrophobicContact CE3-CB 4.14Å; W417-C437 HydrophobicContact CH2-CB 4.29Å; W417-C437 HydrophobicContact CZ3-CB 3.83Å; C437-Y439 HydrophobicContact CB-CE2 4.14Å; C437-Y439 VanDerWaalsContact SG-CZ 3.58Å; C437-C449 WeakPolarHBondContact CA-SG 3.34Å; C437-C449 HydrophobicContact CB-CB 3.76Å; C437-C449 WeakPolarHBondContact CB-SG 3.39Å; C437-C449 WeakPolarHBondContact SG-CB 3.42Å; C437-C449 PolarHBondContact SG-N 3.37Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 2.88Å |
| 438 | N | 93.9 | Very high | 89 | Confident | 77 Ų | 77 | 82.4 Ų | 82.4 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 118.1 | 179 | -64 | -27.7 | 0 | 0 | 0 | 109.1 | A415 S416 T436 | A415-N438 WeakPolarHBondContact CA-O 3.02Å; S416-N438 PolarHBondContact N-O 3.24Å; S416-N438 WeakPolarHBondContact O-CB 3.46Å; S416-N438 PolarHBondContact O-N 3.17Å; T436-N438 PolarHBondContact O-N 3.22Å |
| 439 | Y | 90.9 | Very high | 89.1 | Confident | 104 Ų | 104 | 80 Ų | 80 | 41% | 0.408 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 134.6 | 173.2 | -63.2 | -87.9 | 0 | 0 | 0 | 109.3 | A415 C437 L445 | A415-Y439 HydrophobicContact CB-CD1 3.7Å; A415-Y439 HydrophobicContact CB-CE1 3.73Å; A415-Y439 HydrophobicContact CB-CG 4.46Å; C437-Y439 HydrophobicContact CB-CE2 4.14Å; C437-Y439 VanDerWaalsContact SG-CZ 3.58Å; Y439-L445 HydrophobicContact CD1-CD2 3.67Å; Y439-L445 HydrophobicContact CD2-CD2 4.12Å; Y439-L445 HydrophobicContact CE1-CD2 4.12Å; Y439-L445 HydrophobicContact CG-CD2 3.66Å |
| 440 | P | 89.4 | Confident | 89.3 | Confident | 36 Ų | 36 | 80.4 Ų | 80.4 | 23% | 0.234 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 142.6 | 167.9 | -10.9 | 21.7 | 0 | 0 | 0 | 109.5 | H413 D442 A443 | H413-P440 HydrophobicContact CB-CB 3.67Å; H413-P440 HydrophobicContact CB-CG 3.22Å; H413-P440 WeakPolarHBondContact O-CG 3.37Å; P440-D442 PolarHBondContact O-N 3.45Å; P440-D442 VanDerWaalsContact O-N 3.1Å; P440-A443 HydrophobicContact CB-CB 3.76Å; P440-A443 HydrophobicContact CG-CB 3.55Å; P440-A443 PolarHBondContact O-N 2.96Å; P440-A443 VanDerWaalsContact O-N 3.17Å |
| 441 | V | 86.9 | Confident | 89.4 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 87% | 0.867 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -33 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | ||
| 442 | D | 83.2 | Confident | 89.4 | Confident | 145 Ų | 145 | 78.7 Ų | 78.7 | 78% | 0.775 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.7 | -172.7 | -50.9 | -47.3 | 0 | 0 | 0 | 113.6 | P440 | P440-D442 PolarHBondContact O-N 3.45Å; P440-D442 VanDerWaalsContact O-N 3.1Å |
| 443 | A | 74.4 | Confident | 89.4 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 17% | 0.165 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -85.5 | 133.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P440 L445 | P440-A443 HydrophobicContact CB-CB 3.76Å; P440-A443 HydrophobicContact CG-CB 3.55Å; P440-A443 PolarHBondContact O-N 2.96Å; P440-A443 VanDerWaalsContact O-N 3.17Å; A443-L445 PolarHBondContact O-N 2.99Å |
| 444 | P | 72.5 | Confident | 89.4 | Confident | 85 Ų | 85 | 82 Ų | 82 | 55% | 0.552 | 47% | 0.474 | S | S | * | . | trans | -58.2 | 131.3 | 168.2 | 24.3 | -30.6 | 0 | 0 | 0 | 108.5 | I446 | P444-I446 HydrophobicContact CB-CD1 4.45Å; P444-I446 HydrophobicContact CB-CG1 4.14Å; P444-I446 HydrophobicContact CB-CG2 4.22Å; P444-I446 HydrophobicContact CG-CD1 4.07Å; P444-I446 HydrophobicContact CG-CG1 4.07Å; P444-I446 WeakPolarHBondContact O-CG1 3.42Å; P444-I446 PolarHBondContact O-N 3.33Å | ||
| 445 | L | 77.5 | Confident | 89.4 | Confident | 108 Ų | 108 | 81 Ų | 81 | 57% | 0.565 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 28.2 | -177.6 | -67.5 | 165.8 | 0 | 0 | 0 | 113.7 | Y439 A443 | Y439-L445 HydrophobicContact CD1-CD2 3.67Å; Y439-L445 HydrophobicContact CD2-CD2 4.12Å; Y439-L445 HydrophobicContact CE1-CD2 4.12Å; Y439-L445 HydrophobicContact CG-CD2 3.66Å; A443-L445 PolarHBondContact O-N 2.99Å |
| 446 | I | 76.6 | Confident | 89.3 | Confident | 134 Ų | 134 | 83 Ų | 83 | 69% | 0.687 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -31.8 | -172.1 | 53.5 | 170.1 | 0 | 0 | 0 | 112.8 | P444 | P444-I446 HydrophobicContact CB-CD1 4.45Å; P444-I446 HydrophobicContact CB-CG1 4.14Å; P444-I446 HydrophobicContact CB-CG2 4.22Å; P444-I446 HydrophobicContact CG-CD1 4.07Å; P444-I446 HydrophobicContact CG-CG1 4.07Å; P444-I446 WeakPolarHBondContact O-CG1 3.42Å; P444-I446 PolarHBondContact O-N 3.33Å |
| 447 | T | 82.1 | Confident | 89.3 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 56% | 0.564 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -123.8 | 106.9 | -175.4 | -46.1 | 0 | 0 | 0 | 0 | 109.7 | A415 | A415-T447 WeakPolarHBondContact CB-O 3.45Š|
| 448 | G | 90 | Very high | 89.3 | Confident | 36 Ų | 36 | 86.1 Ų | 86.1 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 173.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 449 | C | 93.7 | Very high | 89.3 | Confident | 15 Ų | 15 | 83 Ų | 83 | 10% | 0.101 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 127 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 110.5 | A415 S416 W417 C437 | A415-C449 VanDerWaalsContact C-SG 3.5Å; S416-C449 PolarHBondContact O-SG 3.48Å; S416-C449 VanDerWaalsContact O-SG 3.36Å; W417-C449 HydrophobicContact CD2-CB 3.57Å; W417-C449 HydrophobicContact CE3-CB 4.1Å; W417-C449 HydrophobicContact CG-CB 4.01Å; W417-C449 HydrophobicContact CH2-CB 4.01Å; W417-C449 HydrophobicContact CZ2-CB 3.48Å; W417-C449 VanDerWaalsContact CZ2-CB 3.48Å; W417-C449 WeakPolarHBondContact CZ2-O 3.34Å; W417-C449 HydrophobicContact CZ3-CB 4.31Å; C437-C449 WeakPolarHBondContact CA-SG 3.34Å; C437-C449 HydrophobicContact CB-CB 3.76Å; C437-C449 WeakPolarHBondContact CB-SG 3.39Å; C437-C449 WeakPolarHBondContact SG-CB 3.42Å; C437-C449 PolarHBondContact SG-N 3.37Å; C437-C449 CovalentContact SG-SG 2.03Å; C437-C449 PolarHBondContact SG-SG 2.88Å |
| 450 | P | 93.4 | Very high | 89.2 | Confident | 111 Ų | 111 | 87.7 Ų | 87.7 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -71.6 | 130.7 | 178.5 | 27.8 | -33.4 | 0 | 0 | 0 | 111.3 | W417 | W417-P450 PolarHBondContact NE1-O 3.47Š|
| 451 | G | 95.4 | Very high | 88.5 | Confident | 63 Ų | 63 | 87.9 Ų | 87.9 | 65% | 0.649 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 114.5 | -172.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | W417 | W417-G451 WeakPolarHBondContact CZ2-O 3.49Š|
| 452 | E | 95.8 | Very high | 87.2 | Confident | 124 Ų | 124 | 87 Ų | 87 | 58% | 0.579 | 51% | 0.506 | S | S | * | . | trans | -85.4 | 140.2 | -176.5 | -59.1 | -175.6 | 152.9 | 0 | 0 | 111.7 | R435 | R435-E452 VanDerWaalsContact CZ-O 3.26Å; R435-E452 PolarHBondContact NE-O 3.36Å; R435-E452 PolarHBondContact NH2-O 3.02Å | ||
| 453 | S | 96.7 | Very high | 86.3 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -88.2 | -11.6 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | T434 R435 | T434-S453 CarbonylContact C-O 3.54Å; T434-S453 WeakPolarHBondContact CA-O 3.13Å; R435-S453 PolarHBondContact N-O 2.78Å |
| 454 | Y | 97.1 | Very high | 86.3 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 49% | 0.49 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 148.4 | -178.9 | 73.9 | -89.6 | 0 | 0 | 0 | 109.5 | I456 | Y454-I456 HydrophobicContact CD2-CD1 4.23Å; Y454-I456 HydrophobicContact CD2-CG1 4.17Å; Y454-I456 HydrophobicContact CE2-CD1 4.22Å |
| 455 | E | 97.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.5 | 175.6 | -170.2 | -177.4 | 174.1 | 0 | 0 | 108.9 | W420 W423 S432 R433 I457 | W420-E455 HydrophobicContact CH2-CB 3.94Å; W420-E455 HydrophobicContact CZ3-CB 4.08Å; W423-E455 HydrophobicContact CH2-CB 4.3Å; W423-E455 HydrophobicContact CH2-CG 3.98Å; S432-E455 CarbonylContact C-O 3.52Å; S432-E455 WeakPolarHBondContact CA-O 3.19Å; R433-E455 HydrophobicContact CG-CB 4.11Å; R433-E455 IonicContact CZ-OE2 2.79Å; R433-E455 PolarHBondContact N-O 2.99Å; R433-E455 IonicContact NE-OE2 3.45Å; R433-E455 PolarHBondContact NE-OE2 3.37Å; R433-E455 IonicContact NH2-OE1 3.27Å; R433-E455 IonicContact NH2-OE2 3.71Å; R433-E455 PolarHBondContact NH2-OE2 3.5Å; R433-E455 PolarHBondContact O-N 3.26Å; E455-I457 HydrophobicContact CG-CG2 4.42Å |
| 456 | I | 96.5 | Very high | 86.6 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 123.6 | 179.5 | -56.2 | 173.4 | 0 | 0 | 0 | 108 | R430 Y454 | R430-I456 HydrophobicContact CB-CG2 4.28Å; Y454-I456 HydrophobicContact CD2-CD1 4.23Å; Y454-I456 HydrophobicContact CD2-CG1 4.17Å; Y454-I456 HydrophobicContact CE2-CD1 4.22Å |
| 457 | I | 96.8 | Very high | 86.5 | Confident | 47 Ų | 47 | 87.8 Ų | 87.8 | 24% | 0.241 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.9 | 176.3 | 64.6 | 175.4 | 0 | 0 | 0 | 111.1 | W423 R430 R431 E455 | W423-I457 HydrophobicContact CD2-CD1 4.17Å; W423-I457 HydrophobicContact CE3-CD1 4.2Å; W423-I457 HydrophobicContact CE3-CG1 4.1Å; W423-I457 HydrophobicContact CH2-CB 4.14Å; W423-I457 HydrophobicContact CH2-CD1 3.53Å; W423-I457 HydrophobicContact CH2-CG1 3.54Å; W423-I457 HydrophobicContact CH2-CG2 3.63Å; W423-I457 HydrophobicContact CZ2-CD1 3.43Å; W423-I457 VanDerWaalsContact CZ2-CD1 3.43Å; W423-I457 HydrophobicContact CZ2-CG1 4.01Å; W423-I457 HydrophobicContact CZ2-CG2 4.29Å; W423-I457 HydrophobicContact CZ3-CB 4.42Å; W423-I457 HydrophobicContact CZ3-CD1 3.91Å; W423-I457 HydrophobicContact CZ3-CG1 3.57Å; W423-I457 HydrophobicContact CZ3-CG2 4.3Å; R430-I457 WeakPolarHBondContact CA-O 3.11Å; R431-I457 HydrophobicContact CG-CD1 4.11Å; R431-I457 HydrophobicContact CG-CG1 3.62Å; R431-I457 PolarHBondContact N-O 3.19Å; R431-I457 VanDerWaalsContact NE-CD1 3.3Å; R431-I457 PolarHBondContact O-N 2.84Å; E455-I457 HydrophobicContact CG-CG2 4.42Å |
| 458 | I | 95.3 | Very high | 86.3 | Confident | 135 Ų | 135 | 87.2 Ų | 87.2 | 69% | 0.692 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 133.2 | 170.2 | -59 | 173.2 | 0 | 0 | 0 | 107.6 | K429 | K429-I458 WeakPolarHBondContact O-CA 3.38Å; K429-I458 WeakPolarHBondContact O-CG2 2.96Å |
| 459 | C | 92.8 | Very high | 85.9 | Confident | 11 Ų | 11 | 92.3 Ų | 92.3 | 7% | 0.074 | 50% | 0.504 | C | S | . | . | trans | -110.8 | 139.3 | 175.7 | 38.6 | 0 | 0 | 0 | 0 | 109.8 | C426 K429 R430 R431 G461 | C426-C459 WeakPolarHBondContact CA-SG 2.99Å; C426-C459 HydrophobicContact CB-CB 3.93Å; C426-C459 WeakPolarHBondContact CB-SG 3.26Å; C426-C459 WeakPolarHBondContact SG-CB 3.42Å; C426-C459 CovalentContact SG-SG 2.02Å; C426-C459 PolarHBondContact SG-SG 3.22Å; K429-C459 PolarHBondContact O-N 3.18Å; R430-C459 PolarHBondContact N-SG 3.43Å; R430-C459 VanDerWaalsContact N-SG 3.43Å; R431-C459 HydrophobicContact CG-CB 4.08Å; C459-G461 PolarHBondContact O-N 2.94Å | ||
| 460 | E | 89.5 | Confident | 85.4 | Confident | 203 Ų | 203 | 95 Ų | 95 | 95% | 0.949 | 52% | 0.518 | S | S | * | . | trans | -83.6 | 14.5 | 179.8 | -66.1 | -178.2 | 169 | 0 | 0 | 113.1 | S462 | E460-S462 PolarHBondContact O-N 2.93Š| ||
| 461 | G | 74.1 | Confident | 85 | Confident | 39 Ų | 39 | 91 Ų | 91 | 40% | 0.402 | 49% | 0.492 | S | S | . | . | trans | -71.9 | 122.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | C459 E463 | C459-G461 PolarHBondContact O-N 2.94Å; G461-E463 PolarHBondContact O-N 3.08Å | ||
| 462 | S | 59.8 | Low | 84.2 | Confident | 126 Ų | 126 | 92.4 Ų | 92.4 | 88% | 0.881 | 48% | 0.484 | S | S | * | . | trans | -74.5 | 47.1 | 175.5 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | E460 N464 | E460-S462 PolarHBondContact O-N 2.93Å; S462-N464 VanDerWaalsContact C-N 3.31Å; S462-N464 PolarHBondContact O-N 2.73Å | ||
| 463 | E | 65.4 | Low | 83.7 | Confident | 111 Ų | 111 | 92.7 Ų | 92.7 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | trans | -78.7 | 84.1 | 179.7 | -74.2 | -179.6 | -163.7 | 0 | 0 | 110.4 | G461 | G461-E463 PolarHBondContact O-N 3.08Š| ||
| 464 | N | 73.9 | Confident | 82.9 | Confident | 79 Ų | 79 | 98 Ų | 98 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | trans | 55.9 | 113.4 | 169.8 | -166.1 | -13.2 | 0 | 0 | 0 | 115.4 | S462 E466 L467 E468 | S462-N464 VanDerWaalsContact C-N 3.31Å; S462-N464 PolarHBondContact O-N 2.73Å; N464-E466 PolarHBondContact O-N 3.28Å; N464-E466 WeakPolarHBondContact OD1-CB 3.45Å; N464-E466 PolarHBondContact OD1-N 3.1Å; N464-L467 HydrophobicContact CB-CB 4.44Å; N464-L467 HydrophobicContact CB-CD1 3.99Å; N464-L467 HydrophobicContact CB-CG 4.23Å; N464-L467 WeakPolarHBondContact O-CB 3.02Å; N464-L467 PolarHBondContact O-N 3.33Å; N464-E468 PolarHBondContact O-N 2.92Å | ||
| 465 | P | 76 | Confident | 81.9 | Confident | 99 Ų | 99 | 93.7 Ų | 93.7 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56 | -20.5 | 176.4 | 24.1 | -34.4 | 0 | 0 | 0 | 113.6 | K469 | P465-K469 PolarHBondContact O-N 3.31Å |
| 466 | E | 80.6 | Confident | 80.9 | Confident | 127 Ų | 127 | 99.1 Ų | 99.1 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.8 | -38.3 | 173.7 | -162.1 | 168.3 | -163.6 | 0 | 0 | 113.1 | N464 E468 K469 N470 | N464-E466 PolarHBondContact O-N 3.28Å; N464-E466 WeakPolarHBondContact OD1-CB 3.45Å; N464-E466 PolarHBondContact OD1-N 3.1Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 3.17Å; E466-K469 PolarHBondContact O-N 3.11Å; E466-N470 PolarHBondContact O-N 3.26Å |
| 467 | L | 74.8 | Confident | 79.9 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.5 | -35 | 174.7 | -76.3 | 167.2 | 0 | 0 | 0 | 111.3 | N464 K469 N470 C471 | N464-L467 HydrophobicContact CB-CB 4.44Å; N464-L467 HydrophobicContact CB-CD1 3.99Å; N464-L467 HydrophobicContact CB-CG 4.23Å; N464-L467 WeakPolarHBondContact O-CB 3.02Å; N464-L467 PolarHBondContact O-N 3.33Å; L467-K469 PolarHBondContact O-N 3.39Å; L467-N470 PolarHBondContact O-N 3.04Å; L467-C471 WeakPolarHBondContact O-CB 3.4Å; L467-C471 PolarHBondContact O-N 3.45Å; L467-C471 PolarHBondContact O-SG 2.79Å; L467-C471 VanDerWaalsContact O-SG 3.39Å |
| 468 | E | 76.5 | Confident | 78 | Confident | 81 Ų | 81 | 107.6 Ų | 107.6 | 38% | 0.379 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -42.6 | 175.5 | -174.6 | 169.8 | -176.9 | 0 | 0 | 111.9 | K429 N464 E466 N470 C471 I472 | K429-E468 VanDerWaalsContact CE-CD 3.48Å; K429-E468 VanDerWaalsContact CE-OE1 3.23Å; K429-E468 WeakPolarHBondContact CE-OE1 3.42Å; K429-E468 WeakPolarHBondContact CE-OE2 3.44Å; K429-E468 IonicContact NZ-OE1 2.76Å; K429-E468 PolarHBondContact NZ-OE1 3.48Å; K429-E468 IonicContact NZ-OE2 3.13Å; K429-E468 PolarHBondContact NZ-OE2 3.4Å; N464-E468 PolarHBondContact O-N 2.92Å; E466-E468 VanDerWaalsContact C-N 3.31Å; E466-E468 PolarHBondContact O-N 3.17Å; E468-N470 VanDerWaalsContact C-N 3.31Å; E468-N470 PolarHBondContact O-N 3.41Å; E468-C471 WeakPolarHBondContact O-CB 3.49Å; E468-C471 PolarHBondContact O-N 3.09Å; E468-I472 HydrophobicContact CG-CD1 4.37Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.02Å; E468-I472 VanDerWaalsContact O-N 3.11Å |
| 469 | K | 82.8 | Confident | 77.2 | Confident | 142 Ų | 142 | 106.3 Ų | 106.3 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.9 | -40.7 | 175.7 | -70.2 | 177 | -176.1 | 174.5 | 0 | 111.4 | P465 E466 L467 I472 K473 | P465-K469 PolarHBondContact O-N 3.31Å; E466-K469 PolarHBondContact O-N 3.11Å; L467-K469 PolarHBondContact O-N 3.39Å; K469-I472 PolarHBondContact O-N 3.48Å; K469-K473 WeakPolarHBondContact O-CG 3.35Å; K469-K473 PolarHBondContact O-N 2.78Å; K469-K473 VanDerWaalsContact O-N 3.07Å |
| 470 | N | 82.6 | Confident | 76.3 | Confident | 73 Ų | 73 | 111.3 Ų | 111.3 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.9 | -36.4 | 178.8 | -71.1 | -16.2 | 0 | 0 | 0 | 112.3 | E466 L467 E468 K473 R474 | E466-N470 PolarHBondContact O-N 3.26Å; L467-N470 PolarHBondContact O-N 3.04Å; E468-N470 VanDerWaalsContact C-N 3.31Å; E468-N470 PolarHBondContact O-N 3.41Å; N470-K473 PolarHBondContact O-N 2.72Å; N470-R474 PolarHBondContact O-N 3.36Å |
| 471 | C | 85.2 | Confident | 75.6 | Confident | 27 Ų | 27 | 106.2 Ų | 106.2 | 18% | 0.182 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 172.5 | -83.5 | 0 | 0 | 0 | 0 | 112.5 | C428 L467 E468 K473 A475 | C428-C471 WeakPolarHBondContact CA-SG 3.38Å; C428-C471 HydrophobicContact CB-CB 3.52Å; C428-C471 WeakPolarHBondContact CB-SG 3.45Å; C428-C471 PolarHBondContact N-SG 3.27Å; C428-C471 WeakPolarHBondContact SG-CB 3.41Å; C428-C471 CovalentContact SG-SG 2.03Å; C428-C471 PolarHBondContact SG-SG 2.79Å; L467-C471 WeakPolarHBondContact O-CB 3.4Å; L467-C471 PolarHBondContact O-N 3.45Å; L467-C471 PolarHBondContact O-SG 2.79Å; L467-C471 VanDerWaalsContact O-SG 3.39Å; E468-C471 WeakPolarHBondContact O-CB 3.49Å; E468-C471 PolarHBondContact O-N 3.09Å; C471-K473 VanDerWaalsContact C-N 3.34Å; C471-K473 PolarHBondContact O-N 3.13Å; C471-A475 VanDerWaalsContact O-CB 3.3Å; C471-A475 WeakPolarHBondContact O-CB 3.48Å; C471-A475 PolarHBondContact O-N 3.27Å |
| 472 | I | 79.7 | Confident | 75.7 | Confident | 92 Ų | 92 | 110.1 Ų | 110.1 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.1 | -38.6 | 178 | -63.2 | 167.6 | 0 | 0 | 0 | 110.8 | E468 K469 A475 K476 | E468-I472 HydrophobicContact CG-CD1 4.37Å; E468-I472 WeakPolarHBondContact O-CG1 3.37Å; E468-I472 PolarHBondContact O-N 3.02Å; E468-I472 VanDerWaalsContact O-N 3.11Å; K469-I472 PolarHBondContact O-N 3.48Å; I472-A475 CarbonylContact O-C 3.6Å; I472-A475 PolarHBondContact O-N 2.82Å; I472-K476 WeakPolarHBondContact O-CG 3.49Å; I472-K476 PolarHBondContact O-N 3.37Å |
| 473 | K | 84.3 | Confident | 76.7 | Confident | 130 Ų | 130 | 109.1 Ų | 109.1 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -47.8 | 177.5 | -74.7 | 179.1 | -179.8 | 180 | 0 | 112.4 | K469 N470 C471 A475 K476 M477 | K469-K473 WeakPolarHBondContact O-CG 3.35Å; K469-K473 PolarHBondContact O-N 2.78Å; K469-K473 VanDerWaalsContact O-N 3.07Å; N470-K473 PolarHBondContact O-N 2.72Å; C471-K473 VanDerWaalsContact C-N 3.34Å; C471-K473 PolarHBondContact O-N 3.13Å; K473-A475 PolarHBondContact O-N 3.23Å; K473-K476 PolarHBondContact O-N 2.75Å; K473-M477 PolarHBondContact O-N 3.27Å |
| 474 | R | 78.9 | Confident | 77.5 | Confident | 170 Ų | 170 | 109 Ų | 109 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.9 | -36.2 | 175 | -74.4 | -173.2 | -172 | 174 | 2.3 | 111.6 | N470 K476 M477 N478 | N470-R474 PolarHBondContact O-N 3.36Å; R474-K476 PolarHBondContact O-N 2.79Å; R474-M477 PolarHBondContact O-N 2.66Å; R474-N478 PolarHBondContact O-N 2.94Å |
| 475 | A | 77.5 | Confident | 77.7 | Confident | 33 Ų | 33 | 111.1 Ų | 111.1 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70 | -3.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114 | K169 C471 I472 K473 | K169-A475 WeakPolarHBondContact CE-O 3.46Å; K169-A475 VanDerWaalsContact NZ-CA 3.32Å; K169-A475 PolarHBondContact NZ-O 2.7Å; C471-A475 VanDerWaalsContact O-CB 3.3Å; C471-A475 WeakPolarHBondContact O-CB 3.48Å; C471-A475 PolarHBondContact O-N 3.27Å; I472-A475 CarbonylContact O-C 3.6Å; I472-A475 PolarHBondContact O-N 2.82Å; K473-A475 PolarHBondContact O-N 3.23Å |
| 476 | K | 75.8 | Confident | 77.8 | Confident | 171 Ų | 171 | 112.1 Ų | 112.1 | 74% | 0.743 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -104.2 | -20 | 171.4 | -73.4 | -179.9 | 179.3 | -177.1 | 0 | 113.3 | I472 K473 R474 | I472-K476 WeakPolarHBondContact O-CG 3.49Å; I472-K476 PolarHBondContact O-N 3.37Å; K473-K476 PolarHBondContact O-N 2.75Å; R474-K476 PolarHBondContact O-N 2.79Å |
| 477 | M | 75.8 | Confident | 77.6 | Confident | 164 Ų | 164 | 110.8 Ų | 110.8 | 81% | 0.808 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -86.5 | -23.3 | -178.4 | -69.1 | 177.9 | 168.8 | 0 | 0 | 113.3 | K473 R474 | K473-M477 PolarHBondContact O-N 3.27Å; R474-M477 PolarHBondContact O-N 2.66Å |
| 478 | N | 57.3 | Low | 77.9 | Confident | 156 Ų | 156 | 112.6 Ų | 112.6 | 83% | 0.834 | 54% | 0.537 | S | S | * | . | trans | -100.9 | 0 | 166.9 | -62.1 | 1.1 | 0 | 0 | 0 | 110.5 | K169 R474 | K169-N478 WeakPolarHBondContact CD-OXT 3.23Å; K169-N478 PolarHBondContact NZ-OXT 2.75Å; R474-N478 PolarHBondContact O-N 2.94Å |
Retrieved 478 of 478 residues in 439.8 ms
(Link to these results)