| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.3 | Very low | 56.8 | Low | 244 Ų | 244 | 134.4 Ų | 134.4 | 100% | 1.202 | 66% | 0.66 | S | S | * | * | 0 | 116.8 | 0 | -70.4 | 164.2 | 172.5 | 0 | 0 | 107.3 | |||||
| 2 | E | 56.2 | Low | 57.2 | Low | 143 Ų | 143 | 126.8 Ų | 126.8 | 67% | 0.668 | 64% | 0.642 | S | S | * | * | trans | -79.2 | 142.4 | 180 | -68.2 | -145.5 | 121 | 0 | 0 | 112.2 | R4 K7 | E2-R4 PolarHBondContact O-N 3.05Å; E2-K7 IonicContact OE2-NZ 3.45Å; E2-K7 PolarHBondContact OE2-NZ 3.47Å | ||
| 3 | P | 55 | Low | 57.9 | Low | 90 Ų | 90 | 124.7 Ų | 124.7 | 58% | 0.584 | 64% | 0.639 | S | S | * | * | trans | -73.1 | 101.4 | 179.1 | 29.4 | -33.9 | 0 | 0 | 0 | 111.2 | W5 S6 | P3-W5 PolarHBondContact O-N 2.88Å; P3-S6 PolarHBondContact O-N 3.43Å; P3-S6 VanDerWaalsContact O-N 3.1Å | ||
| 4 | R | 57.1 | Low | 58.4 | Low | 214 Ų | 214 | 123.1 Ų | 123.1 | 81% | 0.808 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -48.5 | -28.3 | 173.4 | -70.1 | 172.8 | 64.5 | 177.9 | -0.4 | 113.4 | E2 S6 K7 N8 | E2-R4 PolarHBondContact O-N 3.05Å; R4-S6 PolarHBondContact O-N 3.03Å; R4-K7 PolarHBondContact O-N 3.08Å; R4-N8 PolarHBondContact O-N 3.49Å |
| 5 | W | 54 | Low | 58.5 | Low | 207 Ų | 207 | 127 Ų | 127 | 78% | 0.784 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -55.3 | -43.9 | 177.4 | -170.9 | 43.3 | 0 | 0 | 0 | 113.5 | P3 K7 N8 V9 | P3-W5 PolarHBondContact O-N 2.88Å; W5-K7 VanDerWaalsContact C-N 3.35Å; W5-K7 PolarHBondContact O-N 2.95Å; W5-N8 PolarHBondContact O-N 2.95Å; W5-V9 WeakPolarHBondContact O-CG2 3.2Å; W5-V9 PolarHBondContact O-N 2.99Å; W5-V9 VanDerWaalsContact O-N 3.12Å |
| 6 | S | 56 | Low | 58.8 | Low | 76 Ų | 76 | 123.1 Ų | 123.1 | 53% | 0.531 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 112.4 | P3 R4 N8 V9 C10 | P3-S6 PolarHBondContact O-N 3.43Å; P3-S6 VanDerWaalsContact O-N 3.1Å; R4-S6 PolarHBondContact O-N 3.03Å; S6-N8 PolarHBondContact O-N 3.45Å; S6-V9 PolarHBondContact O-N 3.05Å; S6-C10 WeakPolarHBondContact O-CB 3.41Å; S6-C10 PolarHBondContact O-N 3.35Å |
| 7 | K | 57.7 | Low | 59.3 | Low | 125 Ų | 125 | 118.1 Ų | 118.1 | 54% | 0.543 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.5 | -37.4 | -179.8 | -60.3 | -175.2 | -175.6 | 177 | 0 | 111.4 | E2 R4 W5 M11 | E2-K7 IonicContact OE2-NZ 3.45Å; E2-K7 PolarHBondContact OE2-NZ 3.47Å; R4-K7 PolarHBondContact O-N 3.08Å; W5-K7 VanDerWaalsContact C-N 3.35Å; W5-K7 PolarHBondContact O-N 2.95Å; K7-M11 WeakPolarHBondContact O-CB 3.42Å; K7-M11 PolarHBondContact O-N 3.13Å; K7-M11 VanDerWaalsContact O-N 3.08Å |
| 8 | N | 58.6 | Low | 59.4 | Low | 115 Ų | 115 | 115.8 Ų | 115.8 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.8 | -42.6 | 177.2 | -67.7 | 6.3 | 0 | 0 | 0 | 112.6 | R4 W5 S6 M11 G12 | R4-N8 PolarHBondContact O-N 3.49Å; W5-N8 PolarHBondContact O-N 2.95Å; S6-N8 PolarHBondContact O-N 3.45Å; N8-M11 PolarHBondContact O-N 2.78Å; N8-G12 PolarHBondContact O-N 3.48Å; N8-G12 VanDerWaalsContact O-N 3.09Å |
| 9 | V | 62.1 | Low | 59.5 | Low | 79 Ų | 79 | 115.7 Ų | 115.7 | 48% | 0.479 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.3 | -45.6 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | W5 S6 M11 G12 V13 | W5-V9 WeakPolarHBondContact O-CG2 3.2Å; W5-V9 PolarHBondContact O-N 2.99Å; W5-V9 VanDerWaalsContact O-N 3.12Å; S6-V9 PolarHBondContact O-N 3.05Å; V9-M11 PolarHBondContact O-N 3.35Å; V9-G12 PolarHBondContact O-N 3.47Å; V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.99Å |
| 10 | C | 58.3 | Low | 59.5 | Low | 73 Ų | 73 | 115.1 Ų | 115.1 | 49% | 0.493 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.7 | -42.9 | 177.3 | -168.6 | 0 | 0 | 0 | 0 | 112.1 | S6 G12 V13 L14 | S6-C10 WeakPolarHBondContact O-CB 3.41Å; S6-C10 PolarHBondContact O-N 3.35Å; C10-G12 PolarHBondContact O-N 3.27Å; C10-V13 PolarHBondContact O-N 3.07Å; C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.47Å |
| 11 | M | 60.3 | Low | 59.5 | Low | 112 Ų | 112 | 112.6 Ų | 112.6 | 55% | 0.552 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.5 | -45.5 | 175.1 | -163.2 | 84 | 74.2 | 0 | 0 | 112 | K7 N8 V9 L14 W15 | K7-M11 WeakPolarHBondContact O-CB 3.42Å; K7-M11 PolarHBondContact O-N 3.13Å; K7-M11 VanDerWaalsContact O-N 3.08Å; N8-M11 PolarHBondContact O-N 2.78Å; V9-M11 PolarHBondContact O-N 3.35Å; M11-L14 PolarHBondContact O-N 2.91Å; M11-W15 PolarHBondContact O-N 2.92Å |
| 12 | G | 61.8 | Low | 60 | Low | 43 Ų | 43 | 105.2 Ų | 105.2 | 44% | 0.443 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -40.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N8 V9 C10 W15 S16 | N8-G12 PolarHBondContact O-N 3.48Å; N8-G12 VanDerWaalsContact O-N 3.09Å; V9-G12 PolarHBondContact O-N 3.47Å; C10-G12 PolarHBondContact O-N 3.27Å; G12-W15 PolarHBondContact O-N 3.27Å; G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.96Å |
| 13 | V | 67 | Low | 60.1 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.1 | -42.9 | 175.4 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | V9 C10 S16 G17 | V9-V13 WeakPolarHBondContact O-CG2 3.22Å; V9-V13 PolarHBondContact O-N 2.99Å; C10-V13 PolarHBondContact O-N 3.07Å; V13-S16 PolarHBondContact O-N 3.47Å; V13-G17 PolarHBondContact O-N 3.25Å |
| 14 | L | 64.1 | Low | 60 | Low | 103 Ų | 103 | 108.3 Ų | 108.3 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.3 | -45.1 | 175.3 | -76.4 | 164.9 | 0 | 0 | 0 | 112 | C10 M11 G17 C18 | C10-L14 WeakPolarHBondContact O-CB 3.48Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.47Å; M11-L14 PolarHBondContact O-N 2.91Å; L14-G17 PolarHBondContact O-N 3.49Å; L14-C18 WeakPolarHBondContact O-CB 3.27Å; L14-C18 PolarHBondContact O-N 3.35Å; L14-C18 PolarHBondContact O-SG 2.92Å; L14-C18 VanDerWaalsContact O-SG 3.34Å |
| 15 | W | 60.4 | Low | 60 | Low | 181 Ų | 181 | 104.1 Ų | 104.1 | 69% | 0.686 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.2 | -42.2 | 178.7 | -79.2 | 44.8 | 0 | 0 | 0 | 112 | M11 G12 C18 L19 | M11-W15 PolarHBondContact O-N 2.92Å; G12-W15 PolarHBondContact O-N 3.27Å; W15-C18 PolarHBondContact O-N 2.89Å; W15-L19 VanDerWaalsContact O-CG 3.31Å; W15-L19 WeakPolarHBondContact O-CG 3.35Å; W15-L19 PolarHBondContact O-N 2.92Å |
| 16 | S | 63.5 | Low | 60.1 | Low | 65 Ų | 65 | 98.8 Ų | 98.8 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 174.9 | -172.4 | 0 | 0 | 0 | 0 | 112 | G12 V13 L19 L20 | G12-S16 WeakPolarHBondContact O-CB 3.46Å; G12-S16 PolarHBondContact O-N 2.96Å; V13-S16 PolarHBondContact O-N 3.47Å; S16-L19 PolarHBondContact O-N 3.31Å; S16-L20 WeakPolarHBondContact O-CG 3.36Å; S16-L20 PolarHBondContact O-N 3.42Å |
| 17 | G | 66.1 | Low | 60.2 | Low | 38 Ų | 38 | 97.7 Ų | 97.7 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V13 L14 L20 S21 | V13-G17 PolarHBondContact O-N 3.25Å; L14-G17 PolarHBondContact O-N 3.49Å; G17-L20 PolarHBondContact O-N 3.35Å; G17-S21 PolarHBondContact O-N 2.95Å; G17-S21 PolarHBondContact O-OG 3.42Å |
| 18 | C | 61.9 | Low | 60.2 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 52% | 0.52 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.1 | -39.6 | 175.2 | -72.4 | 0 | 0 | 0 | 0 | 112.8 | L14 W15 S21 V22 | L14-C18 WeakPolarHBondContact O-CB 3.27Å; L14-C18 PolarHBondContact O-N 3.35Å; L14-C18 PolarHBondContact O-SG 2.92Å; L14-C18 VanDerWaalsContact O-SG 3.34Å; W15-C18 PolarHBondContact O-N 2.89Å; C18-S21 WeakPolarHBondContact CA-OG 3.43Å; C18-S21 PolarHBondContact O-N 3.38Å; C18-S21 PolarHBondContact O-OG 2.93Å; C18-S21 VanDerWaalsContact O-OG 3.04Å; C18-V22 WeakPolarHBondContact O-CB 3.43Å; C18-V22 VanDerWaalsContact O-CG2 3.28Å; C18-V22 WeakPolarHBondContact O-CG2 3.43Å; C18-V22 PolarHBondContact O-N 3.31Å |
| 19 | L | 61.1 | Low | 60.1 | Low | 113 Ų | 113 | 95.1 Ų | 95.1 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -42.3 | 176.8 | -73.1 | 167.2 | 0 | 0 | 0 | 111.6 | W15 S16 V22 I23 | W15-L19 VanDerWaalsContact O-CG 3.31Å; W15-L19 WeakPolarHBondContact O-CG 3.35Å; W15-L19 PolarHBondContact O-N 2.92Å; S16-L19 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 3.39Å; L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.39Å; L19-I23 VanDerWaalsContact O-N 3.13Å |
| 20 | L | 60 | Low | 60.2 | Low | 103 Ų | 103 | 94 Ų | 94 | 54% | 0.539 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -38.5 | 175.6 | -72.4 | 167.5 | 0 | 0 | 0 | 112.5 | S16 G17 I23 F24 | S16-L20 WeakPolarHBondContact O-CG 3.36Å; S16-L20 PolarHBondContact O-N 3.42Å; G17-L20 PolarHBondContact O-N 3.35Å; L20-I23 PolarHBondContact O-N 2.91Å; L20-F24 PolarHBondContact O-N 2.92Å; L20-F24 VanDerWaalsContact O-N 3.13Å |
| 21 | S | 59.5 | Low | 61.3 | Low | 64 Ų | 64 | 93.8 Ų | 93.8 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.7 | -35.9 | 176.9 | 66.6 | 0 | 0 | 0 | 0 | 112.9 | G17 C18 F24 V25 | G17-S21 PolarHBondContact O-N 2.95Å; G17-S21 PolarHBondContact O-OG 3.42Å; C18-S21 WeakPolarHBondContact CA-OG 3.43Å; C18-S21 PolarHBondContact O-N 3.38Å; C18-S21 PolarHBondContact O-OG 2.93Å; C18-S21 VanDerWaalsContact O-OG 3.04Å; S21-F24 PolarHBondContact O-N 3.31Å; S21-V25 WeakPolarHBondContact O-CG2 3.3Å; S21-V25 PolarHBondContact O-N 3.38Å |
| 22 | V | 59.3 | Low | 62.8 | Low | 88 Ų | 88 | 88.6 Ų | 88.6 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.3 | -45.2 | 172.6 | 168 | 0 | 0 | 0 | 0 | 111.1 | C18 L19 F24 V25 T26 | C18-V22 WeakPolarHBondContact O-CB 3.43Å; C18-V22 VanDerWaalsContact O-CG2 3.28Å; C18-V22 WeakPolarHBondContact O-CG2 3.43Å; C18-V22 PolarHBondContact O-N 3.31Å; L19-V22 PolarHBondContact O-N 3.39Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 2.97Å; V22-V25 PolarHBondContact O-N 3.46Å; V22-V25 VanDerWaalsContact O-N 3.12Å; V22-T26 PolarHBondContact O-N 3.39Å; V22-T26 PolarHBondContact O-OG1 2.93Å |
| 23 | I | 57.8 | Low | 64.3 | Low | 112 Ų | 112 | 89.7 Ų | 89.7 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.2 | -37.7 | 177.2 | -67.9 | 164.1 | 0 | 0 | 0 | 111.6 | L19 L20 T26 | L19-I23 WeakPolarHBondContact O-CD1 3.44Å; L19-I23 VanDerWaalsContact O-CG1 3.31Å; L19-I23 WeakPolarHBondContact O-CG1 3.38Å; L19-I23 PolarHBondContact O-N 3.39Å; L19-I23 VanDerWaalsContact O-N 3.13Å; L20-I23 PolarHBondContact O-N 2.91Å; I23-T26 PolarHBondContact O-OG1 2.96Å |
| 24 | F | 54.5 | Low | 65.8 | Low | 187 Ų | 187 | 86 Ų | 86 | 82% | 0.82 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.4 | -23.3 | 175.8 | -103.9 | -87.1 | 0 | 0 | 0 | 114.4 | L20 S21 V22 | L20-F24 PolarHBondContact O-N 2.92Å; L20-F24 VanDerWaalsContact O-N 3.13Å; S21-F24 PolarHBondContact O-N 3.31Å; V22-F24 VanDerWaalsContact C-N 3.29Å; V22-F24 PolarHBondContact O-N 2.97Å |
| 25 | V | 57.2 | Low | 67.3 | Low | 126 Ų | 126 | 87.2 Ų | 87.2 | 76% | 0.764 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -82.8 | -31 | 175.6 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | S21 V22 G27 | S21-V25 WeakPolarHBondContact O-CG2 3.3Å; S21-V25 PolarHBondContact O-N 3.38Å; V22-V25 PolarHBondContact O-N 3.46Å; V22-V25 VanDerWaalsContact O-N 3.12Å; V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 2.94Å; V25-G27 VanDerWaalsContact O-N 3.07Å |
| 26 | T | 54.2 | Low | 69.1 | Low | 95 Ų | 95 | 80.2 Ų | 80.2 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | trans | -83.8 | 69.5 | 174.1 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | V22 I23 | V22-T26 PolarHBondContact O-N 3.39Å; V22-T26 PolarHBondContact O-OG1 2.93Å; I23-T26 PolarHBondContact O-OG1 2.96Å | ||
| 27 | G | 59 | Low | 70.8 | Confident | 53 Ų | 53 | 80 Ų | 80 | 55% | 0.546 | 49% | 0.486 | S | S | . | . | trans | -58.9 | 149.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | V25 A29 | V25-G27 VanDerWaalsContact C-N 3.31Å; V25-G27 PolarHBondContact O-N 2.94Å; V25-G27 VanDerWaalsContact O-N 3.07Å; G27-A29 PolarHBondContact O-N 3.48Å; G27-A29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | P | 57.9 | Low | 72.3 | Confident | 116 Ų | 116 | 82.8 Ų | 82.8 | 75% | 0.753 | 50% | 0.5 | S | S | * | . | trans | -64.1 | 117.5 | 177.1 | 27.2 | -33.3 | 0 | 0 | 0 | 109.6 | C30 | P28-C30 PolarHBondContact O-N 3.46Š| ||
| 29 | A | 56.7 | Low | 74 | Confident | 69 Ų | 69 | 83 Ų | 83 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | trans | -71.5 | 94.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | G27 | G27-A29 PolarHBondContact O-N 3.48Å; G27-A29 VanDerWaalsContact O-N 3.15Å | ||
| 30 | C | 64.2 | Low | 75.8 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 147.9 | 173.5 | -86.2 | 0 | 0 | 0 | 0 | 110.6 | P28 D140 | P28-C30 PolarHBondContact O-N 3.46Å; C30-D140 WeakPolarHBondContact CB-OD1 3.46Å |
| 31 | A | 81 | Confident | 77.6 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 56% | 0.562 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126 | -170.2 | 0 | 0 | 0 | 0 | 0 | 111 | S142 | A31-S142 CarbonylContact C-O 3.5Å; A31-S142 WeakPolarHBondContact CA-O 3.4Å; A31-S142 WeakPolarHBondContact CB-O 3.4Å |
| 32 | I | 91.9 | Very high | 79.3 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.021 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 127.8 | 172.9 | -171.4 | 163.8 | 0 | 0 | 0 | 109.4 | I34 F54 V135 N137 D140 S142 G143 | I32-I34 HydrophobicContact CG1-CG1 4.49Å; I32-F54 HydrophobicContact CD1-CB 4.21Å; I32-F54 HydrophobicContact CD1-CD2 3.74Å; I32-F54 HydrophobicContact CD1-CE2 4.39Å; I32-F54 HydrophobicContact CD1-CG 4.19Å; I32-F54 HydrophobicContact CG1-CB 4.22Å; I32-F54 HydrophobicContact CG1-CD2 4.3Å; I32-V135 HydrophobicContact CD1-CB 4Å; I32-V135 HydrophobicContact CD1-CG1 3.74Å; I32-N137 HydrophobicContact CD1-CB 4.04Å; I32-D140 HydrophobicContact CB-CB 4.24Å; I32-S142 PolarHBondContact N-O 3.03Å; I32-G143 WeakPolarHBondContact O-CA 3.4Å |
| 33 | T | 94 | Very high | 81.1 | Confident | 66 Ų | 66 | 75.8 Ų | 75.8 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.2 | 177.1 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | Y35 F54 D55 | T33-Y35 HydrophobicContact CG2-CE1 3.94Å; T33-Y35 HydrophobicContact CG2-CE2 3.9Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.27Å; T33-F54 CarbonylContact O-C 3.52Å; T33-F54 WeakPolarHBondContact O-CA 3.22Å; T33-F54 WeakPolarHBondContact O-CB 3.4Å; T33-D55 PolarHBondContact N-O 3.03Å; T33-D55 PolarHBondContact O-N 3.36Å |
| 34 | I | 96.7 | Very high | 82.9 | Confident | 22 Ų | 22 | 73.1 Ų | 73.1 | 11% | 0.113 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.9 | -178.2 | -55 | 177.3 | 0 | 0 | 0 | 109.2 | I32 C52 F54 V135 | I32-I34 HydrophobicContact CG1-CG1 4.49Å; I34-C52 VanDerWaalsContact CG2-SG 3.54Å; I34-F54 HydrophobicContact CG1-CB 4.37Å; I34-V135 HydrophobicContact CD1-CB 3.88Å; I34-V135 HydrophobicContact CD1-CG2 4.05Å; I34-V135 HydrophobicContact CG1-CB 4.39Å; I34-V135 HydrophobicContact CG1-CG2 4.48Å |
| 35 | Y | 97.3 | Very high | 84.8 | Confident | 129 Ų | 129 | 66.5 Ų | 66.5 | 51% | 0.506 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.9 | 178.2 | -53.4 | -82.6 | 0 | 0 | 0 | 109.4 | T33 C52 T53 D55 | T33-Y35 HydrophobicContact CG2-CE1 3.94Å; T33-Y35 HydrophobicContact CG2-CE2 3.9Å; T33-Y35 WeakPolarHBondContact CG2-OH 3.27Å; Y35-C52 CarbonylContact O-C 3.59Å; Y35-C52 WeakPolarHBondContact O-CA 3.45Å; Y35-T53 PolarHBondContact N-O 2.99Å; Y35-T53 PolarHBondContact O-N 3.33Å; Y35-D55 HydrophobicContact CE2-CB 4.19Å |
| 36 | A | 98.1 | Very high | 86.7 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 154.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | S38 R51 | A36-S38 PolarHBondContact O-N 2.99Å; A36-R51 WeakPolarHBondContact CA-O 3.4Å; A36-R51 WeakPolarHBondContact CB-O 3.34Å |
| 37 | D | 97.9 | Very high | 88.8 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | trans | -63.9 | 128.3 | 171.3 | -67.5 | -38.5 | 0 | 0 | 0 | 108.5 | E39 V40 R51 T148 | D37-E39 VanDerWaalsContact C-N 3.34Å; D37-E39 PolarHBondContact O-N 3.36Å; D37-V40 HydrophobicContact CB-CG2 3.97Å; D37-R51 WeakPolarHBondContact OD2-CB 3.35Å; D37-R51 VanDerWaalsContact OD2-CD 3.31Å; D37-R51 WeakPolarHBondContact OD2-CD 3.37Å; D37-R51 WeakPolarHBondContact OD2-CG 3.41Å; D37-T148 WeakPolarHBondContact O-CA 3.48Å; D37-T148 WeakPolarHBondContact O-CB 3.48Å; D37-T148 VanDerWaalsContact O-CG2 3.24Å; D37-T148 WeakPolarHBondContact O-CG2 3.29Å; D37-T148 PolarHBondContact O-OG1 2.83Å | ||
| 38 | S | 97.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 59.3 Ų | 59.3 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69.3 | -32.5 | -174.9 | 54 | 0 | 0 | 0 | 0 | 113.2 | A36 E149 | A36-S38 PolarHBondContact O-N 2.99Å; S38-E149 PolarHBondContact O-N 3.11Å |
| 39 | E | 98.1 | Very high | 92.5 | Very high | 82 Ų | 82 | 56.7 Ų | 56.7 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 137.2 | 177.7 | -178.2 | 172.1 | -102.8 | 0 | 0 | 110 | D37 I41 E149 R151 | D37-E39 VanDerWaalsContact C-N 3.34Å; D37-E39 PolarHBondContact O-N 3.36Å; E39-I41 HydrophobicContact CG-CG1 4.08Å; E39-E149 CarbonylContact C-O 3.55Å; E39-E149 WeakPolarHBondContact CA-O 3.47Å; E39-R151 IonicContact OE1-CZ 2.78Å; E39-R151 IonicContact OE1-NE 3.18Å; E39-R151 PolarHBondContact OE1-NE 3.46Å; E39-R151 IonicContact OE1-NH2 3.87Å; E39-R151 PolarHBondContact OE1-NH2 2.58Å |
| 40 | V | 98.3 | Very high | 94.5 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 11% | 0.109 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.3 | 174.9 | 172 | 0 | 0 | 0 | 0 | 108.3 | D37 V42 L50 T148 E149 L150 R151 | D37-V40 HydrophobicContact CB-CG2 3.97Å; V40-V42 HydrophobicContact CG1-CG1 4.02Å; V40-L50 HydrophobicContact CB-CD2 4.32Å; V40-L50 HydrophobicContact CG1-CD2 4.45Å; V40-L50 HydrophobicContact CG2-CD2 4.3Å; V40-T148 HydrophobicContact CB-CG2 4.17Å; V40-T148 HydrophobicContact CG2-CG2 3.67Å; V40-E149 PolarHBondContact N-O 2.89Å; V40-L150 HydrophobicContact CB-CD1 4.08Å; V40-L150 HydrophobicContact CG1-CD1 3.8Å; V40-R151 PolarHBondContact O-N 3.45Å |
| 41 | I | 97.7 | Very high | 96.2 | Very high | 101 Ų | 101 | 58 Ų | 58 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.6 | -179.9 | -49.4 | -175.1 | 0 | 0 | 0 | 109.5 | E39 R151 V153 | E39-I41 HydrophobicContact CG-CG1 4.08Å; I41-R151 WeakPolarHBondContact CA-O 3.44Å; I41-R151 HydrophobicContact CG1-CB 4.32Å; I41-R151 HydrophobicContact CG2-CB 4.43Å; I41-V153 HydrophobicContact CG2-CG1 3.78Å; I41-V153 HydrophobicContact CG2-CG2 4.26Å |
| 42 | V | 96.9 | Very high | 97 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 160.2 | -177.1 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | V40 A48 A123 L150 R151 V152 V153 | V40-V42 HydrophobicContact CG1-CG1 4.02Å; V42-A48 HydrophobicContact CG1-CB 3.79Å; V42-A48 HydrophobicContact CG2-CB 4.19Å; V42-A123 HydrophobicContact CG2-CB 3.83Å; V42-L150 HydrophobicContact CG2-CD1 3.9Å; V42-R151 PolarHBondContact N-O 3.38Å; V42-V152 HydrophobicContact CG2-CG2 3.98Å; V42-V152 CarbonylContact O-C 3.46Å; V42-V152 WeakPolarHBondContact O-CA 3.47Å; V42-V153 WeakPolarHBondContact O-CG2 3.26Å; V42-V153 PolarHBondContact O-N 2.92Å |
| 43 | Q | 96.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 57.6 Ų | 57.6 | 36% | 0.364 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 145.7 | 175 | -67.4 | -177.5 | -2.6 | 0 | 0 | 111.2 | G45 T46 V153 K155 | Q43-G45 PolarHBondContact O-N 3Å; Q43-T46 HydrophobicContact CB-CG2 3.92Å; Q43-T46 PolarHBondContact N-OG1 2.96Å; Q43-T46 PolarHBondContact O-N 3.43Å; Q43-T46 PolarHBondContact O-OG1 3.08Å; Q43-V153 WeakPolarHBondContact CA-O 3.26Å; Q43-V153 HydrophobicContact CG-CG2 4.18Å; Q43-K155 HydrophobicContact CB-CB 4.44Å |
| 44 | N | 96 | Very high | 97.4 | Very high | 55 Ų | 55 | 54.8 Ų | 54.8 | 29% | 0.294 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 127.1 | 173.2 | -175.4 | 67.8 | 0 | 0 | 0 | 111.1 | Q124 F125 V152 V153 | N44-Q124 WeakPolarHBondContact OD1-CA 3.38Å; N44-F125 HydrophobicContact CB-CD1 4.42Å; N44-F125 HydrophobicContact CB-CD2 4.42Å; N44-F125 HydrophobicContact CB-CE1 3.8Å; N44-F125 HydrophobicContact CB-CE2 3.81Å; N44-F125 HydrophobicContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CG-CE2 3.44Å; N44-F125 PolarHBondContact OD1-N 3.44Å; N44-V152 HydrophobicContact CB-CG1 3.86Å; N44-V153 PolarHBondContact N-O 2.97Å |
| 45 | G | 94.8 | Very high | 97.3 | Very high | 48 Ų | 48 | 57.6 Ų | 57.6 | 50% | 0.495 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | -3.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q43 A123 | Q43-G45 PolarHBondContact O-N 3Å; G45-A123 PolarHBondContact N-O 2.74Å |
| 46 | T | 96.1 | Very high | 97 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 34% | 0.344 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -94.3 | 168.8 | 174.9 | 67.8 | 0 | 0 | 0 | 0 | 112.6 | Q43 A123 | Q43-T46 HydrophobicContact CB-CG2 3.92Å; Q43-T46 PolarHBondContact N-OG1 2.96Å; Q43-T46 PolarHBondContact O-N 3.43Å; Q43-T46 PolarHBondContact O-OG1 3.08Å; T46-A123 WeakPolarHBondContact O-CB 3.43Å; T46-A123 PolarHBondContact O-N 3.37Å |
| 47 | T | 97.6 | Very high | 96.5 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 132.5 | 171.8 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | Q119 L120 S121 | T47-Q119 HydrophobicContact CG2-CG 3.32Å; T47-L120 WeakPolarHBondContact CA-O 3.4Å; T47-S121 WeakPolarHBondContact OG1-CB 3.42Å; T47-S121 PolarHBondContact OG1-OG 2.92Å |
| 48 | A | 97.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 147.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | V42 Q119 L120 A123 L150 | V42-A48 HydrophobicContact CG1-CB 3.79Å; V42-A48 HydrophobicContact CG2-CB 4.19Å; A48-Q119 CarbonylContact O-C 3.58Å; A48-Q119 WeakPolarHBondContact O-CA 3.48Å; A48-L120 HydrophobicContact CB-CB 4.34Å; A48-L120 PolarHBondContact N-O 3.41Å; A48-L120 PolarHBondContact O-N 3.49Å; A48-A123 HydrophobicContact CB-CB 4.45Å; A48-L150 HydrophobicContact CB-CD1 4.17Å |
| 49 | V | 98.4 | Very high | 95.8 | Very high | 62 Ų | 62 | 56.2 Ų | 56.2 | 38% | 0.376 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.1 | 166.5 | 178.9 | 0 | 0 | 0 | 0 | 106.8 | R51 Q119 | V49-R51 HydrophobicContact CG1-CG 4.35Å; V49-Q119 HydrophobicContact CG2-CG 4.42Å |
| 50 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 102.3 | 177.7 | -57.7 | 171.6 | 0 | 0 | 0 | 106.6 | V40 W68 S117 I118 F131 T148 L150 | V40-L50 HydrophobicContact CB-CD2 4.32Å; V40-L50 HydrophobicContact CG1-CD2 4.45Å; V40-L50 HydrophobicContact CG2-CD2 4.3Å; L50-W68 HydrophobicContact CB-CH2 3.7Å; L50-W68 HydrophobicContact CB-CZ2 4.37Å; L50-W68 HydrophobicContact CB-CZ3 4.09Å; L50-W68 HydrophobicContact CD1-CZ3 4.42Å; L50-S117 WeakPolarHBondContact O-CA 3.2Å; L50-I118 HydrophobicContact CB-CG1 3.96Å; L50-I118 HydrophobicContact CD1-CD1 3.93Å; L50-I118 HydrophobicContact CD1-CG1 4.1Å; L50-I118 HydrophobicContact CG-CG1 4.5Å; L50-I118 PolarHBondContact N-O 3.42Å; L50-I118 PolarHBondContact O-N 2.83Å; L50-I118 VanDerWaalsContact O-N 3.14Å; L50-F131 HydrophobicContact CD1-CB 3.9Å; L50-F131 HydrophobicContact CD1-CD1 3.37Å; L50-F131 HydrophobicContact CD1-CD2 3.94Å; L50-F131 HydrophobicContact CD1-CE1 3.81Å; L50-F131 HydrophobicContact CD1-CE2 4.34Å; L50-F131 HydrophobicContact CD1-CG 3.45Å; L50-F131 VanDerWaalsContact CD1-CG 3.45Å; L50-F131 HydrophobicContact CD1-CZ 4.28Å; L50-T148 HydrophobicContact CD2-CG2 3.83Å; L50-L150 HydrophobicContact CD2-CD1 4.28Å |
| 51 | R | 98.5 | Very high | 95.4 | Very high | 153 Ų | 153 | 56.4 Ų | 56.4 | 58% | 0.577 | 32% | 0.32 | S | S | * | . | trans | -75 | 133.2 | -176.8 | -65.5 | -173.8 | 173.6 | 149.2 | -6 | 110.7 | A36 D37 V49 S117 | A36-R51 WeakPolarHBondContact CA-O 3.4Å; A36-R51 WeakPolarHBondContact CB-O 3.34Å; D37-R51 WeakPolarHBondContact OD2-CB 3.35Å; D37-R51 VanDerWaalsContact OD2-CD 3.31Å; D37-R51 WeakPolarHBondContact OD2-CD 3.37Å; D37-R51 WeakPolarHBondContact OD2-CG 3.41Å; V49-R51 HydrophobicContact CG1-CG 4.35Å; R51-S117 WeakPolarHBondContact CA-OG 3.33Å | ||
| 52 | C | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 121.9 | 168.3 | 178.9 | 0 | 0 | 0 | 0 | 108.5 | I34 Y35 W68 A116 S117 C133 | I34-C52 VanDerWaalsContact CG2-SG 3.54Å; Y35-C52 CarbonylContact O-C 3.59Å; Y35-C52 WeakPolarHBondContact O-CA 3.45Å; C52-W68 HydrophobicContact CB-CH2 3.92Å; C52-W68 HydrophobicContact CB-CZ2 3.37Å; C52-A116 HydrophobicContact CB-CB 4.2Å; C52-A116 CarbonylContact O-C 3.5Å; C52-A116 WeakPolarHBondContact O-CA 3.33Å; C52-A116 PolarHBondContact O-N 3.49Å; C52-S117 PolarHBondContact N-OG 2.9Å; C52-S117 PolarHBondContact O-N 2.8Å; C52-S117 PolarHBondContact O-OG 3.45Å; C52-C133 HydrophobicContact CB-CB 3.66Å; C52-C133 WeakPolarHBondContact CB-SG 3.27Å; C52-C133 WeakPolarHBondContact SG-CB 3.37Å; C52-C133 CovalentContact SG-SG 2.03Å; C52-C133 PolarHBondContact SG-SG 3.38Å |
| 53 | T | 98 | Very high | 95 | Very high | 62 Ų | 62 | 60.5 Ų | 60.5 | 38% | 0.38 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 161.4 | 168.6 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | Y35 K114 D115 | Y35-T53 PolarHBondContact N-O 2.99Å; Y35-T53 PolarHBondContact O-N 3.33Å; T53-K114 VanDerWaalsContact CA-O 3.27Å; T53-K114 WeakPolarHBondContact CA-O 3.37Å; T53-K114 WeakPolarHBondContact CB-O 3.4Å; T53-D115 HydrophobicContact CG2-CB 4.35Å |
| 54 | F | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.035 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 160.3 | 177.7 | 61.5 | -83.8 | 0 | 0 | 0 | 111.7 | I32 T33 I34 V60 T64 I111 K114 A116 V135 | I32-F54 HydrophobicContact CD1-CB 4.21Å; I32-F54 HydrophobicContact CD1-CD2 3.74Å; I32-F54 HydrophobicContact CD1-CE2 4.39Å; I32-F54 HydrophobicContact CD1-CG 4.19Å; I32-F54 HydrophobicContact CG1-CB 4.22Å; I32-F54 HydrophobicContact CG1-CD2 4.3Å; T33-F54 CarbonylContact O-C 3.52Å; T33-F54 WeakPolarHBondContact O-CA 3.22Å; T33-F54 WeakPolarHBondContact O-CB 3.4Å; I34-F54 HydrophobicContact CG1-CB 4.37Å; F54-V60 HydrophobicContact CE2-CG2 4.06Å; F54-V60 HydrophobicContact CZ-CG2 3.84Å; F54-T64 HydrophobicContact CZ-CG2 4.45Å; F54-I111 HydrophobicContact CE1-CD1 3.92Å; F54-I111 HydrophobicContact CZ-CD1 4.26Å; F54-K114 HydrophobicContact CD1-CB 4.05Å; F54-K114 VanDerWaalsContact CD1-O 3.25Å; F54-K114 WeakPolarHBondContact CD1-O 3.44Å; F54-K114 HydrophobicContact CD2-CB 4.05Å; F54-K114 HydrophobicContact CD2-CD 4.44Å; F54-K114 HydrophobicContact CD2-CG 4.19Å; F54-K114 VanDerWaalsContact CE1-CA 3.45Å; F54-K114 HydrophobicContact CE1-CB 3.94Å; F54-K114 HydrophobicContact CE2-CB 3.95Å; F54-K114 HydrophobicContact CE2-CD 4.43Å; F54-K114 HydrophobicContact CE2-CG 3.83Å; F54-K114 HydrophobicContact CG-CB 4.12Å; F54-K114 HydrophobicContact CZ-CB 3.9Å; F54-K114 HydrophobicContact CZ-CG 4.07Å; F54-K114 PolarHBondContact N-O 2.79Å; F54-K114 VanDerWaalsContact O-CB 3.23Å; F54-K114 WeakPolarHBondContact O-CB 3.35Å; F54-K114 WeakPolarHBondContact O-CD 3.32Å; F54-A116 HydrophobicContact CD1-CB 4.47Å; F54-V135 HydrophobicContact CB-CG1 4.49Å; F54-V135 HydrophobicContact CD1-CB 4.42Å; F54-V135 HydrophobicContact CD1-CG1 3.73Å; F54-V135 HydrophobicContact CD1-CG2 4.17Å; F54-V135 HydrophobicContact CD2-CG1 4.2Å; F54-V135 HydrophobicContact CE1-CG1 3.84Å; F54-V135 HydrophobicContact CE2-CG1 4.3Å; F54-V135 HydrophobicContact CG-CB 4.48Å; F54-V135 HydrophobicContact CG-CG1 3.9Å; F54-V135 HydrophobicContact CZ-CG1 4.12Å |
| 55 | D | 94.1 | Very high | 95.1 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.4 | 161.7 | -160.3 | 19.1 | 0 | 0 | 0 | 111.2 | T33 Y35 K114 | T33-D55 PolarHBondContact N-O 3.03Å; T33-D55 PolarHBondContact O-N 3.36Å; Y35-D55 HydrophobicContact CE2-CB 4.19Å; D55-K114 IonicContact OD1-NZ 2.83Å; D55-K114 PolarHBondContact OD1-NZ 3Å |
| 56 | S | 91.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 52.9 Ų | 52.9 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | trans | -161.2 | 140.1 | -167.6 | 164.7 | 0 | 0 | 0 | 0 | 107.7 | E58 K114 N137 D140 | S56-E58 PolarHBondContact O-N 2.85Å; S56-E58 PolarHBondContact OG-N 3.28Å; S56-K114 PolarHBondContact O-NZ 3.41Å; S56-N137 PolarHBondContact OG-ND2 3.4Å; S56-D140 WeakPolarHBondContact CA-OD2 3.37Å; S56-D140 WeakPolarHBondContact CB-OD2 3.29Å; S56-D140 PolarHBondContact OG-OD2 3.38Å | ||
| 57 | S | 86.7 | Confident | 95.3 | Very high | 86 Ų | 86 | 51 Ų | 51 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -67 | -29.3 | 175.3 | 11.9 | 0 | 0 | 0 | 0 | 112 | D140 | S57-D140 PolarHBondContact N-OD2 3.03Å; S57-D140 PolarHBondContact OG-OD2 2.92Å |
| 58 | E | 89.6 | Confident | 95.3 | Very high | 80 Ų | 80 | 47.9 Ų | 47.9 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -86 | 150.6 | -170.4 | -67 | -64.9 | 159.9 | 0 | 0 | 113.3 | S56 N137 P139 D140 | S56-E58 PolarHBondContact O-N 2.85Å; S56-E58 PolarHBondContact OG-N 3.28Å; E58-N137 PolarHBondContact O-ND2 3.08Å; E58-P139 HydrophobicContact CG-CG 3.82Å; E58-D140 HydrophobicContact CG-CB 4.48Å; E58-D140 PolarHBondContact N-OD2 2.57Å |
| 59 | V | 92 | Very high | 95.3 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 70% | 0.703 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 137.1 | 176.9 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | T61 | V59-T61 WeakPolarHBondContact O-CG2 3.4Å; V59-T61 PolarHBondContact O-N 3.22Å |
| 60 | V | 94.2 | Very high | 95.2 | Very high | 28 Ų | 28 | 45.8 Ų | 45.8 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 130.7 | 175.6 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | F54 T64 I111 | F54-V60 HydrophobicContact CE2-CG2 4.06Å; F54-V60 HydrophobicContact CZ-CG2 3.84Å; V60-T64 HydrophobicContact CG1-CG2 4.21Å; V60-I111 HydrophobicContact CG1-CG1 3.96Å; V60-I111 HydrophobicContact CG1-CG2 4.22Å |
| 61 | T | 93.4 | Very high | 95.2 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 47% | 0.466 | 26% | 0.264 | S | S | . | . | trans | -134.3 | -177.7 | -177.3 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | V59 A63 T64 | V59-T61 WeakPolarHBondContact O-CG2 3.4Å; V59-T61 PolarHBondContact O-N 3.22Å; T61-A63 PolarHBondContact O-N 2.9Å; T61-A63 PolarHBondContact OG1-N 3.45Å; T61-A63 VanDerWaalsContact OG1-N 3.15Å; T61-T64 PolarHBondContact N-OG1 3.07Å; T61-T64 VanDerWaalsContact O-CB 3.3Å; T61-T64 WeakPolarHBondContact O-CB 3.5Å; T61-T64 PolarHBondContact O-N 2.95Å; T61-T64 VanDerWaalsContact O-N 3.08Å; T61-T64 PolarHBondContact O-OG1 2.78Å; T61-T64 VanDerWaalsContact O-OG1 3.06Å | ||
| 62 | K | 93.8 | Very high | 95.1 | Very high | 151 Ų | 151 | 41.3 Ų | 41.3 | 66% | 0.657 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | 170.5 | -67.9 | 177.5 | 162.3 | -80.7 | 0 | 113.6 | T64 D91 | K62-T64 VanDerWaalsContact C-N 3.34Å; K62-D91 WeakPolarHBondContact CD-OD1 3.32Å; K62-D91 VanDerWaalsContact CG-OD1 3.29Å; K62-D91 WeakPolarHBondContact CG-OD1 3.43Å; K62-D91 IonicContact NZ-OD1 2.74Å; K62-D91 PolarHBondContact NZ-OD1 3.09Å; K62-D91 IonicContact NZ-OD2 3.19Å |
| 63 | A | 93.3 | Very high | 95 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -13 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T61 P138 | T61-A63 PolarHBondContact O-N 2.9Å; T61-A63 PolarHBondContact OG1-N 3.45Å; T61-A63 VanDerWaalsContact OG1-N 3.15Å; A63-P138 HydrophobicContact CB-CG 4.44Å; A63-P138 WeakPolarHBondContact O-CD 3.5Å |
| 64 | T | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.012 | 26% | 0.256 | C | S | . | . | trans | -66.7 | 133.9 | 173.5 | -44.8 | 0 | 0 | 0 | 0 | 109.7 | F54 V60 T61 K62 I111 K136 N137 | F54-T64 HydrophobicContact CZ-CG2 4.45Å; V60-T64 HydrophobicContact CG1-CG2 4.21Å; T61-T64 PolarHBondContact N-OG1 3.07Å; T61-T64 VanDerWaalsContact O-CB 3.3Å; T61-T64 WeakPolarHBondContact O-CB 3.5Å; T61-T64 PolarHBondContact O-N 2.95Å; T61-T64 VanDerWaalsContact O-N 3.08Å; T61-T64 PolarHBondContact O-OG1 2.78Å; T61-T64 VanDerWaalsContact O-OG1 3.06Å; K62-T64 VanDerWaalsContact C-N 3.34Å; T64-I111 HydrophobicContact CG2-CD1 4.37Å; T64-I111 HydrophobicContact CG2-CG1 4.27Å; T64-K136 CarbonylContact C-O 3.51Å; T64-K136 VanDerWaalsContact CA-O 3.26Å; T64-K136 WeakPolarHBondContact CA-O 3.49Å; T64-K136 WeakPolarHBondContact CG2-O 3.43Å; T64-N137 HydrophobicContact CG2-CB 4.12Å; T64-N137 WeakPolarHBondContact CG2-OD1 3.38Å; T64-N137 PolarHBondContact OG1-OD1 3.46Å | ||
| 65 | S | 96.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.2 | 176.8 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | Y88 F89 V135 K136 | S65-Y88 WeakPolarHBondContact CB-OH 3.35Å; S65-F89 WeakPolarHBondContact CA-O 3.29Å; S65-F89 VanDerWaalsContact CB-O 3.26Å; S65-F89 WeakPolarHBondContact CB-O 3.49Å; S65-V135 WeakPolarHBondContact O-CA 3.2Å; S65-K136 PolarHBondContact N-O 3.29Å; S65-K136 PolarHBondContact O-N 2.85Å |
| 66 | V | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.5 | 174.8 | -173.6 | 0 | 0 | 0 | 0 | 108.6 | Y88 F89 F107 I111 A116 D134 V135 | V66-Y88 CarbonylContact O-C 3.56Å; V66-Y88 WeakPolarHBondContact O-CA 3.37Å; V66-Y88 VanDerWaalsContact O-CD2 3.25Å; V66-Y88 WeakPolarHBondContact O-CD2 3.13Å; V66-F89 HydrophobicContact CB-CB 4.04Å; V66-F89 HydrophobicContact CG2-CB 4.42Å; V66-F89 PolarHBondContact N-O 3.4Å; V66-F89 PolarHBondContact O-N 2.99Å; V66-F107 HydrophobicContact CG2-CE2 4.37Å; V66-I111 HydrophobicContact CG2-CD1 3.58Å; V66-A116 HydrophobicContact CG1-CB 4Å; V66-A116 HydrophobicContact CG2-CB 3.82Å; V66-D134 CarbonylContact C-O 3.17Å; V66-D134 VanDerWaalsContact CA-O 3.29Å; V66-D134 WeakPolarHBondContact CA-O 3.39Å; V66-V135 HydrophobicContact CG1-CG2 4.26Å; V66-V135 HydrophobicContact CG2-CG1 4.42Å; V66-V135 HydrophobicContact CG2-CG2 4.28Å |
| 67 | S | 97.4 | Very high | 94.5 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 115.2 | 170 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | D134 | S67-D134 PolarHBondContact N-O 2.82Å; S67-D134 PolarHBondContact O-N 2.99Å |
| 68 | W | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.4 | 169.3 | -84 | 94.6 | 0 | 0 | 0 | 109.7 | L50 C52 I86 L87 A116 I118 F131 F132 C133 | L50-W68 HydrophobicContact CB-CH2 3.7Å; L50-W68 HydrophobicContact CB-CZ2 4.37Å; L50-W68 HydrophobicContact CB-CZ3 4.09Å; L50-W68 HydrophobicContact CD1-CZ3 4.42Å; C52-W68 HydrophobicContact CB-CH2 3.92Å; C52-W68 HydrophobicContact CB-CZ2 3.37Å; W68-I86 HydrophobicContact CB-CD1 4.29Å; W68-I86 HydrophobicContact CB-CG1 3.91Å; W68-I86 VanDerWaalsContact O-CG1 3.31Å; W68-I86 WeakPolarHBondContact O-CG1 3.42Å; W68-I86 PolarHBondContact O-N 3.39Å; W68-L87 HydrophobicContact CB-CB 4.39Å; W68-L87 PolarHBondContact N-O 3.4Å; W68-L87 PolarHBondContact O-N 3.28Å; W68-A116 PolarHBondContact NE1-O 2.92Å; W68-I118 HydrophobicContact CB-CD1 4.05Å; W68-I118 VanDerWaalsContact CD1-CG2 3.49Å; W68-I118 HydrophobicContact CD2-CD1 3.51Å; W68-I118 HydrophobicContact CD2-CG1 3.82Å; W68-I118 HydrophobicContact CD2-CG2 4.42Å; W68-I118 HydrophobicContact CE3-CD1 3.78Å; W68-I118 HydrophobicContact CE3-CG1 4.24Å; W68-I118 HydrophobicContact CG-CD1 3.67Å; W68-I118 HydrophobicContact CG-CG1 4.21Å; W68-I118 HydrophobicContact CG-CG2 4.07Å; W68-I118 HydrophobicContact CH2-CG1 4.28Å; W68-I118 HydrophobicContact CZ2-CD1 4.43Å; W68-I118 HydrophobicContact CZ2-CG1 3.86Å; W68-I118 HydrophobicContact CZ3-CD1 4.36Å; W68-I118 HydrophobicContact CZ3-CG1 4.47Å; W68-F131 HydrophobicContact CE3-CB 4.19Å; W68-F131 HydrophobicContact CZ3-CB 3.89Å; W68-F132 WeakPolarHBondContact CA-O 3.42Å; W68-C133 HydrophobicContact CD2-CB 4.04Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 HydrophobicContact CH2-CB 3.82Å; W68-C133 HydrophobicContact CZ2-CB 3.76Å; W68-C133 HydrophobicContact CZ3-CB 3.96Å |
| 69 | T | 97.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.1 | 174.6 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | Y84 V85 F131 F132 | T69-Y84 CarbonylContact C-O 3.54Å; T69-Y84 WeakPolarHBondContact CA-O 3.43Å; T69-Y84 VanDerWaalsContact CB-O 3.26Å; T69-Y84 WeakPolarHBondContact CB-O 3.39Å; T69-V85 HydrophobicContact CG2-CG2 4.13Å; T69-F131 CarbonylContact O-C 3.57Å; T69-F131 WeakPolarHBondContact O-CA 3.06Å; T69-F132 PolarHBondContact N-O 3.02Å; T69-F132 PolarHBondContact O-N 2.78Å |
| 70 | F | 97.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.2 | 176.4 | 173.9 | -112.5 | 0 | 0 | 0 | 110.7 | P83 Y84 I86 F101 D127 T130 F131 | F70-P83 CarbonylContact O-C 3.59Å; F70-P83 WeakPolarHBondContact O-CA 3.37Å; F70-Y84 HydrophobicContact CB-CE1 4.42Å; F70-Y84 AromaticContact CD1-CE1 3.65Å; F70-Y84 HydrophobicContact CD1-CE1 3.65Å; F70-Y84 AromaticContact CD1-CZ 3.93Å; F70-Y84 HydrophobicContact CE1-CE1 4.49Å; F70-Y84 PolarHBondContact N-O 3.01Å; F70-Y84 WeakPolarHBondContact O-CD1 3.38Å; F70-Y84 PolarHBondContact O-N 2.92Å; F70-I86 HydrophobicContact CB-CD1 4.34Å; F70-I86 HydrophobicContact CB-CG2 3.65Å; F70-F101 HydrophobicContact CB-CE2 4.24Å; F70-F101 AromaticContact CD1-CE2 3.59Å; F70-F101 HydrophobicContact CD1-CE2 3.59Å; F70-F101 AromaticContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CE1-CE2 4.13Å; F70-F101 HydrophobicContact CE1-CZ 4.12Å; F70-F101 HydrophobicContact CG-CE2 4.01Å; F70-F101 HydrophobicContact CG-CZ 4.12Å; F70-D127 VanDerWaalsContact CE2-O 3.31Å; F70-D127 WeakPolarHBondContact CE2-O 3.32Å; F70-T130 WeakPolarHBondContact CA-O 3.39Å; F70-F131 HydrophobicContact CB-CD1 4.22Å; F70-F131 HydrophobicContact CB-CE1 4.15Å; F70-F131 AromaticContact CD2-CD1 3.98Å; F70-F131 HydrophobicContact CD2-CD1 3.98Å; F70-F131 AromaticContact CD2-CD2 3.72Å; F70-F131 HydrophobicContact CD2-CD2 3.72Å; F70-F131 AromaticContact CD2-CE1 3.7Å; F70-F131 HydrophobicContact CD2-CE1 3.7Å; F70-F131 AromaticContact CD2-CE2 3.39Å; F70-F131 HydrophobicContact CD2-CE2 3.39Å; F70-F131 AromaticContact CD2-CG 3.99Å; F70-F131 HydrophobicContact CD2-CG 3.99Å; F70-F131 AromaticContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CE2-CD2 4.07Å; F70-F131 HydrophobicContact CE2-CE1 4.43Å; F70-F131 AromaticContact CE2-CE2 3.45Å; F70-F131 HydrophobicContact CE2-CE2 3.45Å; F70-F131 VanDerWaalsContact CE2-CE2 3.45Å; F70-F131 AromaticContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CG-CD1 4.5Å; F70-F131 HydrophobicContact CG-CE1 4.14Å; F70-F131 HydrophobicContact CG-CZ 4.14Å |
| 71 | Q | 97.4 | Very high | 94.8 | Very high | 54 Ų | 54 | 59.1 Ų | 59.1 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.8 | 168.7 | -176 | -179.6 | 8.8 | 0 | 0 | 108 | Y79 Y80 P83 G129 T130 F132 | Q71-Y79 WeakPolarHBondContact CG-O 3.34Å; Q71-Y80 WeakPolarHBondContact CG-O 3.48Å; Q71-Y80 PolarHBondContact NE2-O 2.91Å; Q71-P83 HydrophobicContact CB-CB 4.13Å; Q71-G129 CarbonylContact O-C 3.55Å; Q71-G129 VanDerWaalsContact O-CA 3.26Å; Q71-G129 WeakPolarHBondContact O-CA 3.45Å; Q71-T130 PolarHBondContact N-O 2.95Å; Q71-T130 PolarHBondContact O-N 2.69Å; Q71-F132 HydrophobicContact CB-CE2 3.89Å |
| 72 | S | 96.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 148.6 | 179.7 | -171.9 | 0 | 0 | 0 | 0 | 111 | Q74 S77 Y79 | S72-Q74 WeakPolarHBondContact OG-CB 3.31Å; S72-Q74 PolarHBondContact OG-N 2.61Å; S72-S77 WeakPolarHBondContact CB-OG 3.36Å; S72-Y79 PolarHBondContact N-O 3.06Å |
| 73 | N | 95.7 | Very high | 94.8 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 47% | 0.465 | 31% | 0.31 | S | S | . | . | trans | -92.6 | 0.6 | 169.2 | 68 | 13.3 | 0 | 0 | 0 | 113.6 | P75 N128 | N73-P75 WeakPolarHBondContact O-CD 3.48Å; N73-N128 PolarHBondContact N-O 3.46Å; N73-N128 VanDerWaalsContact N-O 3.11Å; N73-N128 WeakPolarHBondContact OD1-CB 3.47Å; N73-N128 PolarHBondContact OD1-O 2.89Å; N73-N128 VanDerWaalsContact OD1-O 3.11Å | ||
| 74 | Q | 93.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 52.8 Ų | 52.8 | 28% | 0.28 | 29% | 0.293 | S | S | . | . | trans | -81.4 | 117.8 | 179.8 | -62.4 | -177.7 | -22.1 | 0 | 0 | 110.1 | S72 D76 S77 Y80 F125 | S72-Q74 WeakPolarHBondContact OG-CB 3.31Å; S72-Q74 PolarHBondContact OG-N 2.61Å; Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.16Å; Q74-S77 VanDerWaalsContact O-CB 3.25Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 2.83Å; Q74-Y80 WeakPolarHBondContact O-CD2 3.5Å; Q74-F125 PolarHBondContact NE2-O 2.93Å | ||
| 75 | P | 92.8 | Very high | 94.9 | Very high | 105 Ų | 105 | 55.7 Ų | 55.7 | 68% | 0.682 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.4 | -173.2 | -24.5 | 35.4 | 0 | 0 | 0 | 115.5 | N73 Y80 | N73-P75 WeakPolarHBondContact O-CD 3.48Å; P75-Y80 HydrophobicContact CB-CE2 4.45Å; P75-Y80 HydrophobicContact CG-CE2 4.32Å |
| 76 | D | 92.9 | Very high | 95 | Very high | 144 Ų | 144 | 54.9 Ų | 54.9 | 77% | 0.77 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -8.5 | 176.1 | 57.5 | -42.6 | 0 | 0 | 0 | 113.3 | Q74 | Q74-D76 PolarHBondContact O-N 2.78Å; Q74-D76 VanDerWaalsContact O-N 3.16Å |
| 77 | S | 91.6 | Very high | 95 | Very high | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.203 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -75.3 | 134.1 | 176.5 | -175 | 0 | 0 | 0 | 0 | 111.8 | S72 Q74 Y79 Y80 | S72-S77 WeakPolarHBondContact CB-OG 3.36Å; Q74-S77 VanDerWaalsContact O-CB 3.25Å; Q74-S77 WeakPolarHBondContact O-CB 3.37Å; Q74-S77 PolarHBondContact O-N 2.83Å; S77-Y79 PolarHBondContact O-N 2.84Å; S77-Y79 PolarHBondContact OG-N 3.33Å; S77-Y80 VanDerWaalsContact O-CB 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.38Å; S77-Y80 PolarHBondContact O-N 2.9Å |
| 78 | Q | 90.6 | Very high | 95 | Very high | 154 Ų | 154 | 58.5 Ų | 58.5 | 72% | 0.72 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -14.7 | 171.4 | 68.6 | -170.6 | 5.2 | 0 | 0 | 113.7 | ||
| 79 | Y | 92 | Very high | 95 | Very high | 43 Ų | 43 | 59.2 Ų | 59.2 | 17% | 0.169 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 17.7 | 179.3 | -51 | -64.3 | 0 | 0 | 0 | 113.8 | Q71 S72 S77 Y84 | Q71-Y79 WeakPolarHBondContact CG-O 3.34Å; S72-Y79 PolarHBondContact N-O 3.06Å; S77-Y79 PolarHBondContact O-N 2.84Å; S77-Y79 PolarHBondContact OG-N 3.33Å; Y79-Y84 AromaticContact CD1-CD1 3.15Å; Y79-Y84 HydrophobicContact CD1-CD1 3.15Å; Y79-Y84 AromaticContact CD1-CE1 3.41Å; Y79-Y84 HydrophobicContact CD1-CE1 3.41Å; Y79-Y84 VanDerWaalsContact CD1-CE1 3.41Å; Y79-Y84 AromaticContact CD1-CG 3.83Å; Y79-Y84 HydrophobicContact CD1-CG 3.83Å; Y79-Y84 AromaticContact CD2-CD1 3.98Å; Y79-Y84 HydrophobicContact CD2-CD1 3.98Å; Y79-Y84 AromaticContact CD2-CE1 3.27Å; Y79-Y84 HydrophobicContact CD2-CE1 3.27Å; Y79-Y84 AromaticContact CD2-CZ 3.71Å; Y79-Y84 AromaticContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD2 4.32Å; Y79-Y84 AromaticContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE2 4.49Å; Y79-Y84 AromaticContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE2-CD1 4.31Å; Y79-Y84 AromaticContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE2 4.39Å; Y79-Y84 AromaticContact CE2-CZ 3.64Å; Y79-Y84 AromaticContact CG-CD1 3.35Å; Y79-Y84 HydrophobicContact CG-CD1 3.35Å; Y79-Y84 AromaticContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CG 4.39Å; Y79-Y84 AromaticContact CG-CZ 3.99Å; Y79-Y84 AromaticContact CZ-CE1 3.88Å; Y79-Y84 AromaticContact CZ-CZ 3.88Å |
| 80 | Y | 93.3 | Very high | 94.9 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -68 | -47.4 | 173.1 | -178.9 | -104 | 0 | 0 | 0 | 111.8 | Q71 Q74 P75 S77 | Q71-Y80 WeakPolarHBondContact CG-O 3.48Å; Q71-Y80 PolarHBondContact NE2-O 2.91Å; Q74-Y80 WeakPolarHBondContact O-CD2 3.5Å; P75-Y80 HydrophobicContact CB-CE2 4.45Å; P75-Y80 HydrophobicContact CG-CE2 4.32Å; S77-Y80 VanDerWaalsContact O-CB 3.3Å; S77-Y80 WeakPolarHBondContact O-CB 3.38Å; S77-Y80 PolarHBondContact O-N 2.9Å |
| 81 | S | 91.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 76% | 0.762 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -84.1 | -15.7 | -171.6 | -55.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 82 | A | 93.4 | Very high | 94.5 | Very high | 54 Ų | 54 | 62.8 Ų | 62.8 | 45% | 0.446 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -152.7 | 140.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 83 | P | 95.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 67.8 Ų | 67.8 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | trans | -74.7 | 154 | 174.2 | 31 | -34.8 | 0 | 0 | 0 | 112.6 | F70 Q71 F132 | F70-P83 CarbonylContact O-C 3.59Å; F70-P83 WeakPolarHBondContact O-CA 3.37Å; Q71-P83 HydrophobicContact CB-CB 4.13Å; P83-F132 HydrophobicContact CB-CD2 4.49Å; P83-F132 HydrophobicContact CB-CE2 4.3Å | ||
| 84 | Y | 94.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 66 Ų | 66 | 11% | 0.106 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 156.9 | 174.9 | 68 | -82.1 | 0 | 0 | 0 | 112.3 | T69 F70 Y79 I86 Q98 F101 | T69-Y84 CarbonylContact C-O 3.54Å; T69-Y84 WeakPolarHBondContact CA-O 3.43Å; T69-Y84 VanDerWaalsContact CB-O 3.26Å; T69-Y84 WeakPolarHBondContact CB-O 3.39Å; F70-Y84 HydrophobicContact CB-CE1 4.42Å; F70-Y84 AromaticContact CD1-CE1 3.65Å; F70-Y84 HydrophobicContact CD1-CE1 3.65Å; F70-Y84 AromaticContact CD1-CZ 3.93Å; F70-Y84 HydrophobicContact CE1-CE1 4.49Å; F70-Y84 PolarHBondContact N-O 3.01Å; F70-Y84 WeakPolarHBondContact O-CD1 3.38Å; F70-Y84 PolarHBondContact O-N 2.92Å; Y79-Y84 AromaticContact CD1-CD1 3.15Å; Y79-Y84 HydrophobicContact CD1-CD1 3.15Å; Y79-Y84 AromaticContact CD1-CE1 3.41Å; Y79-Y84 HydrophobicContact CD1-CE1 3.41Å; Y79-Y84 VanDerWaalsContact CD1-CE1 3.41Å; Y79-Y84 AromaticContact CD1-CG 3.83Å; Y79-Y84 HydrophobicContact CD1-CG 3.83Å; Y79-Y84 AromaticContact CD2-CD1 3.98Å; Y79-Y84 HydrophobicContact CD2-CD1 3.98Å; Y79-Y84 AromaticContact CD2-CE1 3.27Å; Y79-Y84 HydrophobicContact CD2-CE1 3.27Å; Y79-Y84 AromaticContact CD2-CZ 3.71Å; Y79-Y84 AromaticContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD1 3.57Å; Y79-Y84 HydrophobicContact CE1-CD2 4.32Å; Y79-Y84 AromaticContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE1 3.79Å; Y79-Y84 HydrophobicContact CE1-CE2 4.49Å; Y79-Y84 AromaticContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE1-CG 3.81Å; Y79-Y84 HydrophobicContact CE2-CD1 4.31Å; Y79-Y84 AromaticContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE1 3.66Å; Y79-Y84 HydrophobicContact CE2-CE2 4.39Å; Y79-Y84 AromaticContact CE2-CZ 3.64Å; Y79-Y84 AromaticContact CG-CD1 3.35Å; Y79-Y84 HydrophobicContact CG-CD1 3.35Å; Y79-Y84 AromaticContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CE1 3.1Å; Y79-Y84 HydrophobicContact CG-CG 4.39Å; Y79-Y84 AromaticContact CG-CZ 3.99Å; Y79-Y84 AromaticContact CZ-CE1 3.88Å; Y79-Y84 AromaticContact CZ-CZ 3.88Å; Y84-I86 HydrophobicContact CD2-CG2 4.09Å; Y84-I86 HydrophobicContact CE2-CG2 3.76Å; Y84-Q98 HydrophobicContact CD2-CB 4.23Å; Y84-Q98 HydrophobicContact CD2-CG 3.46Å; Y84-Q98 VanDerWaalsContact CD2-CG 3.46Å; Y84-Q98 HydrophobicContact CE2-CB 3.91Å; Y84-Q98 HydrophobicContact CE2-CG 3.63Å; Y84-F101 HydrophobicContact CE2-CD2 4.19Å; Y84-F101 HydrophobicContact CE2-CE2 4.45Å; Y84-F101 VanDerWaalsContact OH-CE2 3.29Å; Y84-F101 WeakPolarHBondContact OH-CE2 3.29Å |
| 85 | V | 96.5 | Very high | 94.5 | Very high | 63 Ų | 63 | 68.2 Ų | 68.2 | 38% | 0.382 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.8 | -178.1 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | T69 | T69-V85 HydrophobicContact CG2-CG2 4.13Å |
| 86 | I | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -26.9 | 177.5 | 62.6 | 167.7 | 0 | 0 | 0 | 112.6 | W68 F70 Y84 G97 F101 V105 I118 F131 | W68-I86 HydrophobicContact CB-CD1 4.29Å; W68-I86 HydrophobicContact CB-CG1 3.91Å; W68-I86 VanDerWaalsContact O-CG1 3.31Å; W68-I86 WeakPolarHBondContact O-CG1 3.42Å; W68-I86 PolarHBondContact O-N 3.39Å; F70-I86 HydrophobicContact CB-CD1 4.34Å; F70-I86 HydrophobicContact CB-CG2 3.65Å; Y84-I86 HydrophobicContact CD2-CG2 4.09Å; Y84-I86 HydrophobicContact CE2-CG2 3.76Å; I86-G97 WeakPolarHBondContact O-CA 3.5Å; I86-G97 PolarHBondContact O-N 2.9Å; I86-F101 HydrophobicContact CB-CB 4.1Å; I86-F101 HydrophobicContact CB-CD2 4.02Å; I86-F101 HydrophobicContact CB-CG 4.17Å; I86-F101 HydrophobicContact CG2-CB 4.34Å; I86-F101 HydrophobicContact CG2-CD2 3.34Å; I86-F101 HydrophobicContact CG2-CE2 3.76Å; I86-F101 HydrophobicContact CG2-CG 3.99Å; I86-V105 HydrophobicContact CD1-CG2 4.3Å; I86-I118 HydrophobicContact CD1-CD1 3.95Å; I86-F131 HydrophobicContact CD1-CD1 3.52Å; I86-F131 HydrophobicContact CD1-CE1 3.52Å |
| 87 | L | 97.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 139.8 | 173.4 | -179.5 | 147.1 | 0 | 0 | 0 | 109.6 | W68 F89 A94 Y95 V105 F107 I118 | W68-L87 HydrophobicContact CB-CB 4.39Å; W68-L87 PolarHBondContact N-O 3.4Å; W68-L87 PolarHBondContact O-N 3.28Å; L87-F89 HydrophobicContact CD2-CB 4.38Å; L87-A94 HydrophobicContact CD1-CB 4.18Å; L87-Y95 WeakPolarHBondContact CA-O 3.48Å; L87-V105 HydrophobicContact CB-CG1 3.92Å; L87-V105 HydrophobicContact CD1-CG1 3.82Å; L87-F107 HydrophobicContact CD1-CB 4.13Å; L87-F107 HydrophobicContact CD2-CB 4.47Å; L87-F107 HydrophobicContact CD2-CD2 4.16Å; L87-I118 HydrophobicContact CD1-CG2 4.21Å; L87-I118 HydrophobicContact CD2-CG2 4.23Å |
| 88 | Y | 97.7 | Very high | 94.2 | Very high | 91 Ų | 91 | 64.4 Ų | 64.4 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.6 | 169.7 | -178.2 | -109.8 | 0 | 0 | 0 | 109.8 | S65 V66 Y95 | S65-Y88 WeakPolarHBondContact CB-OH 3.35Å; V66-Y88 CarbonylContact O-C 3.56Å; V66-Y88 WeakPolarHBondContact O-CA 3.37Å; V66-Y88 VanDerWaalsContact O-CD2 3.25Å; V66-Y88 WeakPolarHBondContact O-CD2 3.13Å; Y88-Y95 HydrophobicContact CD1-CD2 4.33Å; Y88-Y95 PolarHBondContact N-O 2.67Å; Y88-Y95 PolarHBondContact O-N 2.83Å |
| 89 | F | 97.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 62.6 Ų | 62.6 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.6 | 177.3 | -177.5 | -85.2 | 0 | 0 | 0 | 110.3 | S65 V66 L87 K93 A94 F107 I111 | S65-F89 WeakPolarHBondContact CA-O 3.29Å; S65-F89 VanDerWaalsContact CB-O 3.26Å; S65-F89 WeakPolarHBondContact CB-O 3.49Å; V66-F89 HydrophobicContact CB-CB 4.04Å; V66-F89 HydrophobicContact CG2-CB 4.42Å; V66-F89 PolarHBondContact N-O 3.4Å; V66-F89 PolarHBondContact O-N 2.99Å; L87-F89 HydrophobicContact CD2-CB 4.38Å; F89-K93 VanDerWaalsContact CA-O 3.31Å; F89-K93 WeakPolarHBondContact CA-O 3.5Å; F89-K93 WeakPolarHBondContact CD2-O 3.4Å; F89-A94 HydrophobicContact CD2-CB 4.25Å; F89-F107 HydrophobicContact CB-CD2 4.3Å; F89-F107 HydrophobicContact CB-CE2 4.26Å; F89-F107 HydrophobicContact CD2-CB 4.47Å; F89-F107 AromaticContact CD2-CD1 3.73Å; F89-F107 HydrophobicContact CD2-CD1 3.73Å; F89-F107 AromaticContact CD2-CD2 3.96Å; F89-F107 HydrophobicContact CD2-CD2 3.96Å; F89-F107 AromaticContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE2 4.06Å; F89-F107 AromaticContact CD2-CG 3.79Å; F89-F107 HydrophobicContact CD2-CG 3.79Å; F89-F107 AromaticContact CD2-CZ 3.99Å; F89-F107 HydrophobicContact CD2-CZ 3.99Å; F89-F107 AromaticContact CE2-CD1 3.66Å; F89-F107 HydrophobicContact CE2-CD1 3.66Å; F89-F107 AromaticContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CG 4.21Å; F89-F107 HydrophobicContact CE2-CZ 4.09Å; F89-F107 HydrophobicContact CG-CD2 4.32Å; F89-F107 HydrophobicContact CG-CE1 4.48Å; F89-F107 HydrophobicContact CG-CE2 4.12Å; F89-F107 HydrophobicContact CG-CZ 4.21Å; F89-F107 HydrophobicContact CZ-CE1 4.05Å; F89-F107 HydrophobicContact CZ-CZ 4.39Å; F89-I111 HydrophobicContact CD1-CD1 4.42Å; F89-I111 HydrophobicContact CE1-CB 3.98Å; F89-I111 HydrophobicContact CE1-CD1 4.32Å; F89-I111 HydrophobicContact CE1-CG1 3.99Å; F89-I111 HydrophobicContact CE1-CG2 3.93Å; F89-I111 HydrophobicContact CZ-CB 4.24Å; F89-I111 HydrophobicContact CZ-CG2 4.01Å |
| 90 | S | 96.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 65 Ų | 65 | 20% | 0.196 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 155.6 | 175.2 | -168.6 | 0 | 0 | 0 | 0 | 110.6 | G92 K93 | S90-G92 PolarHBondContact O-N 2.82Å; S90-G92 VanDerWaalsContact O-N 3.12Å; S90-K93 PolarHBondContact N-O 3.4Å; S90-K93 PolarHBondContact O-N 2.84Å; S90-K93 VanDerWaalsContact O-O 3.11Å |
| 91 | D | 94.7 | Very high | 93.5 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 31% | 0.31 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 37.2 | -177.4 | -165.3 | 44.1 | 0 | 0 | 0 | 114.8 | K62 K93 | K62-D91 WeakPolarHBondContact CD-OD1 3.32Å; K62-D91 VanDerWaalsContact CG-OD1 3.29Å; K62-D91 WeakPolarHBondContact CG-OD1 3.43Å; K62-D91 IonicContact NZ-OD1 2.74Å; K62-D91 PolarHBondContact NZ-OD1 3.09Å; K62-D91 IonicContact NZ-OD2 3.19Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 IonicContact OD2-NZ 3.76Å |
| 92 | G | 90.9 | Very high | 93.3 | Very high | 61 Ų | 61 | 58 Ų | 58 | 63% | 0.629 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 13.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S90 | S90-G92 PolarHBondContact O-N 2.82Å; S90-G92 VanDerWaalsContact O-N 3.12Å |
| 93 | K | 95.4 | Very high | 93.2 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.1 | -175.8 | -66.4 | 164.1 | -171.1 | 152.1 | 0 | 111.4 | F89 S90 D91 Y95 | F89-K93 VanDerWaalsContact CA-O 3.31Å; F89-K93 WeakPolarHBondContact CA-O 3.5Å; F89-K93 WeakPolarHBondContact CD2-O 3.4Å; S90-K93 PolarHBondContact N-O 3.4Å; S90-K93 PolarHBondContact O-N 2.84Å; S90-K93 VanDerWaalsContact O-O 3.11Å; D91-K93 VanDerWaalsContact C-N 3.29Å; D91-K93 PolarHBondContact O-N 2.87Å; D91-K93 IonicContact OD2-NZ 3.76Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; K93-Y95 WeakPolarHBondContact O-CD2 3.16Å; K93-Y95 WeakPolarHBondContact O-CE2 3.44Å |
| 94 | A | 96.3 | Very high | 93.2 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 138.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L87 F89 F107 | L87-A94 HydrophobicContact CD1-CB 4.18Å; F89-A94 HydrophobicContact CD2-CB 4.25Å; A94-F107 HydrophobicContact CB-CB 3.8Å |
| 95 | Y | 95.6 | Very high | 93.3 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.5 | 178 | -60.3 | -91.6 | 0 | 0 | 0 | 107.9 | L87 Y88 K93 | L87-Y95 WeakPolarHBondContact CA-O 3.48Å; Y88-Y95 HydrophobicContact CD1-CD2 4.33Å; Y88-Y95 PolarHBondContact N-O 2.67Å; Y88-Y95 PolarHBondContact O-N 2.83Å; K93-Y95 HydrophobicContact CB-CE2 3.73Å; K93-Y95 WeakPolarHBondContact O-CD2 3.16Å; K93-Y95 WeakPolarHBondContact O-CE2 3.44Å |
| 96 | P | 93.9 | Very high | 93.3 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 149.7 | 179 | 28.4 | -33.9 | 0 | 0 | 0 | 111.7 | K102 | P96-K102 HydrophobicContact CB-CB 3.99Å; P96-K102 HydrophobicContact CB-CG 3.82Å; P96-K102 HydrophobicContact CG-CG 4.02Å |
| 97 | G | 90.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | trans | -86.1 | -133.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I86 | I86-G97 WeakPolarHBondContact O-CA 3.5Å; I86-G97 PolarHBondContact O-N 2.9Å | ||
| 98 | Q | 85.9 | Confident | 93.4 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 45% | 0.449 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -61.6 | 155.7 | -178.8 | -55 | -70.3 | -34.4 | 0 | 0 | 113.3 | Y84 E100 F101 K102 | Y84-Q98 HydrophobicContact CD2-CB 4.23Å; Y84-Q98 HydrophobicContact CD2-CG 3.46Å; Y84-Q98 VanDerWaalsContact CD2-CG 3.46Å; Y84-Q98 HydrophobicContact CE2-CB 3.91Å; Y84-Q98 HydrophobicContact CE2-CG 3.63Å; Q98-E100 VanDerWaalsContact C-N 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.4Å; Q98-E100 PolarHBondContact O-N 3.4Å; Q98-F101 PolarHBondContact O-N 2.8Å; Q98-F101 VanDerWaalsContact O-N 3.13Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 3.02Å |
| 99 | E | 86.1 | Confident | 93.3 | Very high | 117 Ų | 117 | 62.9 Ų | 62.9 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -31.4 | -171.5 | -63.4 | -69 | 135.9 | 0 | 0 | 113.6 | F101 K102 | E99-F101 PolarHBondContact O-N 3.06Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 PolarHBondContact O-N 2.98Å; E99-K102 WeakPolarHBondContact OE1-CD 3.4Å; E99-K102 IonicContact OE1-NZ 3.65Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.04Å |
| 100 | E | 86.8 | Confident | 93.3 | Very high | 93 Ų | 93 | 64.6 Ų | 64.6 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.6 | -24.7 | -179.4 | -56.4 | 75 | -165.2 | 0 | 0 | 112.8 | Q98 R104 | Q98-E100 VanDerWaalsContact C-N 3.26Å; Q98-E100 WeakPolarHBondContact CB-OE2 3.4Å; Q98-E100 PolarHBondContact O-N 3.4Å; E100-R104 VanDerWaalsContact O-CZ 3.3Å; E100-R104 PolarHBondContact O-NE 2.87Å; E100-R104 PolarHBondContact O-NH2 3.2Å |
| 101 | F | 88.8 | Confident | 93.2 | Very high | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -114.6 | -21.5 | -180 | -76.4 | -64.5 | 0 | 0 | 0 | 113.6 | F70 Y84 I86 Q98 E99 H103 R104 V105 L120 D127 F131 | F70-F101 HydrophobicContact CB-CE2 4.24Å; F70-F101 AromaticContact CD1-CE2 3.59Å; F70-F101 HydrophobicContact CD1-CE2 3.59Å; F70-F101 AromaticContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CD1-CZ 3.89Å; F70-F101 HydrophobicContact CE1-CE2 4.13Å; F70-F101 HydrophobicContact CE1-CZ 4.12Å; F70-F101 HydrophobicContact CG-CE2 4.01Å; F70-F101 HydrophobicContact CG-CZ 4.12Å; Y84-F101 HydrophobicContact CE2-CD2 4.19Å; Y84-F101 HydrophobicContact CE2-CE2 4.45Å; Y84-F101 VanDerWaalsContact OH-CE2 3.29Å; Y84-F101 WeakPolarHBondContact OH-CE2 3.29Å; I86-F101 HydrophobicContact CB-CB 4.1Å; I86-F101 HydrophobicContact CB-CD2 4.02Å; I86-F101 HydrophobicContact CB-CG 4.17Å; I86-F101 HydrophobicContact CG2-CB 4.34Å; I86-F101 HydrophobicContact CG2-CD2 3.34Å; I86-F101 HydrophobicContact CG2-CE2 3.76Å; I86-F101 HydrophobicContact CG2-CG 3.99Å; Q98-F101 PolarHBondContact O-N 2.8Å; Q98-F101 VanDerWaalsContact O-N 3.13Å; E99-F101 PolarHBondContact O-N 3.06Å; F101-H103 PolarHBondContact O-N 3.46Å; F101-R104 VanDerWaalsContact CE1-NH2 3.31Å; F101-R104 PolarHBondContact O-N 3.4Å; F101-V105 HydrophobicContact CB-CB 4.4Å; F101-V105 HydrophobicContact CB-CG2 3.76Å; F101-V105 HydrophobicContact CD1-CG2 3.51Å; F101-V105 HydrophobicContact CE1-CG2 4.4Å; F101-V105 HydrophobicContact CG-CG2 3.95Å; F101-V105 PolarHBondContact O-N 3.07Å; F101-L120 HydrophobicContact CD1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD2 4.22Å; F101-D127 HydrophobicContact CE1-CB 4.4Å; F101-D127 HydrophobicContact CZ-CB 4.41Å; F101-F131 HydrophobicContact CE1-CE1 4.27Å; F101-F131 HydrophobicContact CE1-CZ 4.21Å; F101-F131 HydrophobicContact CZ-CE1 4.19Å; F101-F131 HydrophobicContact CZ-CZ 4.06Å |
| 102 | K | 87 | Confident | 93.3 | Very high | 72 Ų | 72 | 67.1 Ų | 67.1 | 31% | 0.313 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -45.1 | -34.6 | -179.4 | 174.3 | -177.3 | 175.7 | -174.7 | 0 | 116.4 | P96 Q98 E99 | P96-K102 HydrophobicContact CB-CB 3.99Å; P96-K102 HydrophobicContact CB-CG 3.82Å; P96-K102 HydrophobicContact CG-CG 4.02Å; Q98-K102 WeakPolarHBondContact O-CB 3.49Å; Q98-K102 PolarHBondContact O-N 3.02Å; E99-K102 VanDerWaalsContact CD-CD 3.45Å; E99-K102 PolarHBondContact O-N 2.98Å; E99-K102 WeakPolarHBondContact OE1-CD 3.4Å; E99-K102 IonicContact OE1-NZ 3.65Å; E99-K102 PolarHBondContact OE1-NZ 2.87Å; E99-K102 WeakPolarHBondContact OE2-CD 3.42Å; E99-K102 IonicContact OE2-NZ 2.73Å; E99-K102 PolarHBondContact OE2-NZ 3.04Å |
| 103 | H | 91.6 | Very high | 93.5 | Very high | 145 Ų | 145 | 71.7 Ų | 71.7 | 67% | 0.671 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 0.7 | -179.9 | -65.2 | -64.4 | 0 | 0 | 0 | 114.2 | F101 | F101-H103 PolarHBondContact O-N 3.46Š|
| 104 | R | 96 | Very high | 93.6 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | -28.3 | -174 | -56.8 | -169.8 | -60.4 | 131.1 | -1.5 | 113.6 | E100 F101 L120 S121 P122 D127 | E100-R104 VanDerWaalsContact O-CZ 3.3Å; E100-R104 PolarHBondContact O-NE 2.87Å; E100-R104 PolarHBondContact O-NH2 3.2Å; F101-R104 VanDerWaalsContact CE1-NH2 3.31Å; F101-R104 PolarHBondContact O-N 3.4Å; R104-L120 HydrophobicContact CB-CD1 3.92Å; R104-L120 CarbonylContact O-C 3.55Å; R104-L120 WeakPolarHBondContact O-CA 3.23Å; R104-S121 VanDerWaalsContact CA-O 3.29Å; R104-S121 WeakPolarHBondContact CA-O 3.45Å; R104-S121 WeakPolarHBondContact CB-O 3.48Å; R104-S121 PolarHBondContact O-N 2.93Å; R104-P122 PolarHBondContact NH1-O 2.83Å; R104-D127 IonicContact CZ-OD1 3.71Å; R104-D127 IonicContact CZ-OD2 3.73Å; R104-D127 VanDerWaalsContact NH1-CG 3.34Å; R104-D127 IonicContact NH1-OD1 2.67Å; R104-D127 PolarHBondContact NH1-OD1 3.09Å; R104-D127 IonicContact NH1-OD2 2.66Å; R104-D127 PolarHBondContact NH1-OD2 2.86Å; R104-D127 IonicContact NH2-OD1 2.67Å; R104-D127 PolarHBondContact NH2-OD1 3.44Å; R104-D127 IonicContact NH2-OD2 2.68Å |
| 105 | V | 97.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 69.1 Ų | 69.1 | 7% | 0.067 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.4 | 178.2 | 177 | 0 | 0 | 0 | 0 | 110 | I86 L87 F101 I118 Q119 L120 | I86-V105 HydrophobicContact CD1-CG2 4.3Å; L87-V105 HydrophobicContact CB-CG1 3.92Å; L87-V105 HydrophobicContact CD1-CG1 3.82Å; F101-V105 HydrophobicContact CB-CB 4.4Å; F101-V105 HydrophobicContact CB-CG2 3.76Å; F101-V105 HydrophobicContact CD1-CG2 3.51Å; F101-V105 HydrophobicContact CE1-CG2 4.4Å; F101-V105 HydrophobicContact CG-CG2 3.95Å; F101-V105 PolarHBondContact O-N 3.07Å; V105-I118 HydrophobicContact CG1-CB 4.2Å; V105-I118 HydrophobicContact CG1-CD1 3.82Å; V105-I118 HydrophobicContact CG1-CG2 4.39Å; V105-Q119 CarbonylContact C-O 3.5Å; V105-Q119 VanDerWaalsContact CA-O 3.29Å; V105-Q119 WeakPolarHBondContact CA-O 3.42Å; V105-L120 HydrophobicContact CG2-CD1 3.77Å |
| 106 | Q | 96.3 | Very high | 93.8 | Very high | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.7 | 178 | -65.3 | 176.5 | 55 | 0 | 0 | 109.5 | I118 Q119 | Q106-I118 CarbonylContact O-C 3.55Å; Q106-I118 VanDerWaalsContact O-CA 3.31Å; Q106-I118 WeakPolarHBondContact O-CA 3.25Å; Q106-I118 WeakPolarHBondContact O-CB 3.27Å; Q106-Q119 PolarHBondContact N-O 3.04Å; Q106-Q119 PolarHBondContact O-N 2.94Å |
| 107 | F | 97.6 | Very high | 94 | Very high | 38 Ų | 38 | 60.7 Ų | 60.7 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128 | 171.4 | -169.7 | -95.2 | 0 | 0 | 0 | 109.4 | V66 L87 F89 A94 G109 I111 I118 | V66-F107 HydrophobicContact CG2-CE2 4.37Å; L87-F107 HydrophobicContact CD1-CB 4.13Å; L87-F107 HydrophobicContact CD2-CB 4.47Å; L87-F107 HydrophobicContact CD2-CD2 4.16Å; F89-F107 HydrophobicContact CB-CD2 4.3Å; F89-F107 HydrophobicContact CB-CE2 4.26Å; F89-F107 HydrophobicContact CD2-CB 4.47Å; F89-F107 AromaticContact CD2-CD1 3.73Å; F89-F107 HydrophobicContact CD2-CD1 3.73Å; F89-F107 AromaticContact CD2-CD2 3.96Å; F89-F107 HydrophobicContact CD2-CD2 3.96Å; F89-F107 AromaticContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE1 3.82Å; F89-F107 HydrophobicContact CD2-CE2 4.06Å; F89-F107 AromaticContact CD2-CG 3.79Å; F89-F107 HydrophobicContact CD2-CG 3.79Å; F89-F107 AromaticContact CD2-CZ 3.99Å; F89-F107 HydrophobicContact CD2-CZ 3.99Å; F89-F107 AromaticContact CE2-CD1 3.66Å; F89-F107 HydrophobicContact CE2-CD1 3.66Å; F89-F107 AromaticContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CE1 3.58Å; F89-F107 HydrophobicContact CE2-CG 4.21Å; F89-F107 HydrophobicContact CE2-CZ 4.09Å; F89-F107 HydrophobicContact CG-CD2 4.32Å; F89-F107 HydrophobicContact CG-CE1 4.48Å; F89-F107 HydrophobicContact CG-CE2 4.12Å; F89-F107 HydrophobicContact CG-CZ 4.21Å; F89-F107 HydrophobicContact CZ-CE1 4.05Å; F89-F107 HydrophobicContact CZ-CZ 4.39Å; A94-F107 HydrophobicContact CB-CB 3.8Å; F107-G109 WeakPolarHBondContact CE1-O 3.38Å; F107-I111 HydrophobicContact CZ-CD1 4.37Å; F107-I118 HydrophobicContact CD2-CG2 4.23Å |
| 108 | V | 97.8 | Very high | 94.4 | Very high | 71 Ų | 71 | 59.5 Ų | 59.5 | 43% | 0.43 | 29% | 0.289 | S | S | . | . | trans | -129.4 | -9.7 | -175.4 | -62.8 | 0 | 0 | 0 | 0 | 114.1 | S117 Q119 | V108-S117 WeakPolarHBondContact CG2-O 3.33Å; V108-S117 PolarHBondContact N-O 3.31Å; V108-Q119 HydrophobicContact CG1-CB 3.6Å; V108-Q119 HydrophobicContact CG2-CB 4.09Å | ||
| 109 | G | 97.3 | Very high | 95 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 13% | 0.134 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -71.2 | 165.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F107 D115 S117 | F107-G109 WeakPolarHBondContact CE1-O 3.38Å; G109-D115 WeakPolarHBondContact CA-OD1 3.19Å; G109-D115 WeakPolarHBondContact CA-OD2 3.39Å; G109-S117 PolarHBondContact N-O 2.66Å |
| 110 | D | 96.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 52 Ų | 52 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | trans | -106.6 | 104.5 | 166 | -177.2 | -6.4 | 0 | 0 | 0 | 109.9 | N112 K113 K114 D115 | D110-N112 PolarHBondContact O-N 3.14Å; D110-N112 VanDerWaalsContact O-N 3.09Å; D110-N112 WeakPolarHBondContact OD1-CB 3Å; D110-N112 PolarHBondContact OD1-N 2.84Å; D110-N112 PolarHBondContact OD1-ND2 2.86Å; D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 HydrophobicContact CB-CD 4.44Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 CarbonylContact O-C 3.57Å; D110-K113 WeakPolarHBondContact O-CA 3.02Å; D110-K113 PolarHBondContact O-N 2.84Å; D110-K113 IonicContact OD2-NZ 3.58Å; D110-K113 PolarHBondContact OD2-NZ 3.42Å; D110-K114 PolarHBondContact O-N 2.75Å; D110-D115 CarbonylContact C-O 3.58Å; D110-D115 PolarHBondContact N-O 3.07Å; D110-D115 PolarHBondContact O-N 2.58Å | ||
| 111 | I | 96.3 | Very high | 96 | Very high | 15 Ų | 15 | 49.3 Ų | 49.3 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -56 | -30.8 | -177.8 | -160.7 | 75 | 0 | 0 | 0 | 112.3 | F54 V60 T64 V66 F89 F107 K113 K114 D115 | F54-I111 HydrophobicContact CE1-CD1 3.92Å; F54-I111 HydrophobicContact CZ-CD1 4.26Å; V60-I111 HydrophobicContact CG1-CG1 3.96Å; V60-I111 HydrophobicContact CG1-CG2 4.22Å; T64-I111 HydrophobicContact CG2-CD1 4.37Å; T64-I111 HydrophobicContact CG2-CG1 4.27Å; V66-I111 HydrophobicContact CG2-CD1 3.58Å; F89-I111 HydrophobicContact CD1-CD1 4.42Å; F89-I111 HydrophobicContact CE1-CB 3.98Å; F89-I111 HydrophobicContact CE1-CD1 4.32Å; F89-I111 HydrophobicContact CE1-CG1 3.99Å; F89-I111 HydrophobicContact CE1-CG2 3.93Å; F89-I111 HydrophobicContact CZ-CB 4.24Å; F89-I111 HydrophobicContact CZ-CG2 4.01Å; F107-I111 HydrophobicContact CZ-CD1 4.37Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.77Å; I111-K114 WeakPolarHBondContact O-CA 3.45Å; I111-K114 PolarHBondContact O-N 2.67Å; I111-D115 WeakPolarHBondContact CA-O 3.46Å; I111-D115 PolarHBondContact N-O 2.89Å |
| 112 | N | 95 | Very high | 96.4 | Very high | 123 Ų | 123 | 52 Ų | 52 | 66% | 0.658 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -73.5 | -20.5 | 179.6 | -47.2 | -84.3 | 0 | 0 | 0 | 112.4 | D110 K114 | D110-N112 PolarHBondContact O-N 3.14Å; D110-N112 VanDerWaalsContact O-N 3.09Å; D110-N112 WeakPolarHBondContact OD1-CB 3Å; D110-N112 PolarHBondContact OD1-N 2.84Å; D110-N112 PolarHBondContact OD1-ND2 2.86Å; N112-K114 VanDerWaalsContact C-N 3.32Å |
| 113 | K | 96.5 | Very high | 96.9 | Very high | 158 Ų | 158 | 48.6 Ų | 48.6 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -94.9 | 15.1 | 170.1 | -60.6 | -170.5 | -174.5 | 79.2 | 0 | 112.5 | D110 I111 D115 | D110-K113 HydrophobicContact CB-CB 4.27Å; D110-K113 HydrophobicContact CB-CD 4.44Å; D110-K113 HydrophobicContact CB-CG 4.23Å; D110-K113 CarbonylContact O-C 3.57Å; D110-K113 WeakPolarHBondContact O-CA 3.02Å; D110-K113 PolarHBondContact O-N 2.84Å; D110-K113 IonicContact OD2-NZ 3.58Å; D110-K113 PolarHBondContact OD2-NZ 3.42Å; I111-K113 VanDerWaalsContact C-N 3.27Å; I111-K113 PolarHBondContact O-N 2.77Å; K113-D115 PolarHBondContact O-N 2.85Å |
| 114 | K | 96.3 | Very high | 97.1 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 31 | -173.9 | -54.1 | 177.6 | 168.8 | 173.4 | 0 | 113.9 | T53 F54 D55 S56 D110 I111 N112 | T53-K114 VanDerWaalsContact CA-O 3.27Å; T53-K114 WeakPolarHBondContact CA-O 3.37Å; T53-K114 WeakPolarHBondContact CB-O 3.4Å; F54-K114 HydrophobicContact CD1-CB 4.05Å; F54-K114 VanDerWaalsContact CD1-O 3.25Å; F54-K114 WeakPolarHBondContact CD1-O 3.44Å; F54-K114 HydrophobicContact CD2-CB 4.05Å; F54-K114 HydrophobicContact CD2-CD 4.44Å; F54-K114 HydrophobicContact CD2-CG 4.19Å; F54-K114 VanDerWaalsContact CE1-CA 3.45Å; F54-K114 HydrophobicContact CE1-CB 3.94Å; F54-K114 HydrophobicContact CE2-CB 3.95Å; F54-K114 HydrophobicContact CE2-CD 4.43Å; F54-K114 HydrophobicContact CE2-CG 3.83Å; F54-K114 HydrophobicContact CG-CB 4.12Å; F54-K114 HydrophobicContact CZ-CB 3.9Å; F54-K114 HydrophobicContact CZ-CG 4.07Å; F54-K114 PolarHBondContact N-O 2.79Å; F54-K114 VanDerWaalsContact O-CB 3.23Å; F54-K114 WeakPolarHBondContact O-CB 3.35Å; F54-K114 WeakPolarHBondContact O-CD 3.32Å; D55-K114 IonicContact OD1-NZ 2.83Å; D55-K114 PolarHBondContact OD1-NZ 3Å; S56-K114 PolarHBondContact O-NZ 3.41Å; D110-K114 PolarHBondContact O-N 2.75Å; I111-K114 WeakPolarHBondContact O-CA 3.45Å; I111-K114 PolarHBondContact O-N 2.67Å; N112-K114 VanDerWaalsContact C-N 3.32Å |
| 115 | D | 98 | Very high | 97.1 | Very high | 45 Ų | 45 | 48.3 Ų | 48.3 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -106.9 | 123.1 | 176.5 | -179.4 | 3.6 | 0 | 0 | 0 | 110.6 | T53 G109 D110 I111 K113 S117 | T53-D115 HydrophobicContact CG2-CB 4.35Å; G109-D115 WeakPolarHBondContact CA-OD1 3.19Å; G109-D115 WeakPolarHBondContact CA-OD2 3.39Å; D110-D115 CarbonylContact C-O 3.58Å; D110-D115 PolarHBondContact N-O 3.07Å; D110-D115 PolarHBondContact O-N 2.58Å; I111-D115 WeakPolarHBondContact CA-O 3.46Å; I111-D115 PolarHBondContact N-O 2.89Å; K113-D115 PolarHBondContact O-N 2.85Å; D115-S117 WeakPolarHBondContact OD1-CB 3.24Å; D115-S117 PolarHBondContact OD1-N 2.81Å; D115-S117 PolarHBondContact OD1-OG 2.03Å |
| 116 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -116.8 | 13.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | C52 F54 V66 W68 V135 | C52-A116 HydrophobicContact CB-CB 4.2Å; C52-A116 CarbonylContact O-C 3.5Å; C52-A116 WeakPolarHBondContact O-CA 3.33Å; C52-A116 PolarHBondContact O-N 3.49Å; F54-A116 HydrophobicContact CD1-CB 4.47Å; V66-A116 HydrophobicContact CG1-CB 4Å; V66-A116 HydrophobicContact CG2-CB 3.82Å; W68-A116 PolarHBondContact NE1-O 2.92Å; A116-V135 HydrophobicContact CB-CG2 4.02Å | ||
| 117 | S | 98.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | trans | -63 | 145.7 | -172.4 | -56.4 | 0 | 0 | 0 | 0 | 114 | L50 R51 C52 V108 G109 D115 | L50-S117 WeakPolarHBondContact O-CA 3.2Å; R51-S117 WeakPolarHBondContact CA-OG 3.33Å; C52-S117 PolarHBondContact N-OG 2.9Å; C52-S117 PolarHBondContact O-N 2.8Å; C52-S117 PolarHBondContact O-OG 3.45Å; V108-S117 WeakPolarHBondContact CG2-O 3.33Å; V108-S117 PolarHBondContact N-O 3.31Å; G109-S117 PolarHBondContact N-O 2.66Å; D115-S117 WeakPolarHBondContact OD1-CB 3.24Å; D115-S117 PolarHBondContact OD1-N 2.81Å; D115-S117 PolarHBondContact OD1-OG 2.03Å | ||
| 118 | I | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 152.7 | 173.3 | 59.7 | 170.3 | 0 | 0 | 0 | 111.9 | L50 W68 I86 L87 V105 Q106 F107 | L50-I118 HydrophobicContact CB-CG1 3.96Å; L50-I118 HydrophobicContact CD1-CD1 3.93Å; L50-I118 HydrophobicContact CD1-CG1 4.1Å; L50-I118 HydrophobicContact CG-CG1 4.5Å; L50-I118 PolarHBondContact N-O 3.42Å; L50-I118 PolarHBondContact O-N 2.83Å; L50-I118 VanDerWaalsContact O-N 3.14Å; W68-I118 HydrophobicContact CB-CD1 4.05Å; W68-I118 VanDerWaalsContact CD1-CG2 3.49Å; W68-I118 HydrophobicContact CD2-CD1 3.51Å; W68-I118 HydrophobicContact CD2-CG1 3.82Å; W68-I118 HydrophobicContact CD2-CG2 4.42Å; W68-I118 HydrophobicContact CE3-CD1 3.78Å; W68-I118 HydrophobicContact CE3-CG1 4.24Å; W68-I118 HydrophobicContact CG-CD1 3.67Å; W68-I118 HydrophobicContact CG-CG1 4.21Å; W68-I118 HydrophobicContact CG-CG2 4.07Å; W68-I118 HydrophobicContact CH2-CG1 4.28Å; W68-I118 HydrophobicContact CZ2-CD1 4.43Å; W68-I118 HydrophobicContact CZ2-CG1 3.86Å; W68-I118 HydrophobicContact CZ3-CD1 4.36Å; W68-I118 HydrophobicContact CZ3-CG1 4.47Å; I86-I118 HydrophobicContact CD1-CD1 3.95Å; L87-I118 HydrophobicContact CD1-CG2 4.21Å; L87-I118 HydrophobicContact CD2-CG2 4.23Å; V105-I118 HydrophobicContact CG1-CB 4.2Å; V105-I118 HydrophobicContact CG1-CD1 3.82Å; V105-I118 HydrophobicContact CG1-CG2 4.39Å; Q106-I118 CarbonylContact O-C 3.55Å; Q106-I118 VanDerWaalsContact O-CA 3.31Å; Q106-I118 WeakPolarHBondContact O-CA 3.25Å; Q106-I118 WeakPolarHBondContact O-CB 3.27Å; F107-I118 HydrophobicContact CD2-CG2 4.23Å |
| 119 | Q | 98 | Very high | 96.8 | Very high | 55 Ų | 55 | 41.5 Ų | 41.5 | 26% | 0.257 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.8 | 170.7 | -175.8 | -175 | -96.3 | 0 | 0 | 109.3 | T47 A48 V49 V105 Q106 V108 | T47-Q119 HydrophobicContact CG2-CG 3.32Å; A48-Q119 CarbonylContact O-C 3.58Å; A48-Q119 WeakPolarHBondContact O-CA 3.48Å; V49-Q119 HydrophobicContact CG2-CG 4.42Å; V105-Q119 CarbonylContact C-O 3.5Å; V105-Q119 VanDerWaalsContact CA-O 3.29Å; V105-Q119 WeakPolarHBondContact CA-O 3.42Å; Q106-Q119 PolarHBondContact N-O 3.04Å; Q106-Q119 PolarHBondContact O-N 2.94Å; V108-Q119 HydrophobicContact CG1-CB 3.6Å; V108-Q119 HydrophobicContact CG2-CB 4.09Å |
| 120 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 117.9 | 172.5 | 171 | 64.8 | 0 | 0 | 0 | 109.1 | T47 A48 F101 R104 V105 A123 D127 F131 L150 | T47-L120 WeakPolarHBondContact CA-O 3.4Å; A48-L120 HydrophobicContact CB-CB 4.34Å; A48-L120 PolarHBondContact N-O 3.41Å; A48-L120 PolarHBondContact O-N 3.49Å; F101-L120 HydrophobicContact CD1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD1 3.69Å; F101-L120 HydrophobicContact CE1-CD2 4.22Å; R104-L120 HydrophobicContact CB-CD1 3.92Å; R104-L120 CarbonylContact O-C 3.55Å; R104-L120 WeakPolarHBondContact O-CA 3.23Å; V105-L120 HydrophobicContact CG2-CD1 3.77Å; L120-A123 HydrophobicContact CD2-CB 4.43Å; L120-D127 HydrophobicContact CD2-CB 4.01Å; L120-F131 HydrophobicContact CD2-CE1 4.47Å; L120-F131 HydrophobicContact CD2-CZ 3.94Å; L120-L150 HydrophobicContact CD2-CD2 3.66Å |
| 121 | S | 97.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -150.9 | 131 | 179.6 | -162.5 | 0 | 0 | 0 | 0 | 112.9 | T47 R104 | T47-S121 WeakPolarHBondContact OG1-CB 3.42Å; T47-S121 PolarHBondContact OG1-OG 2.92Å; R104-S121 VanDerWaalsContact CA-O 3.29Å; R104-S121 WeakPolarHBondContact CA-O 3.45Å; R104-S121 WeakPolarHBondContact CB-O 3.48Å; R104-S121 PolarHBondContact O-N 2.93Å |
| 122 | P | 96.8 | Very high | 97 | Very high | 59 Ų | 59 | 39.9 Ų | 39.9 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | S | Bend | cis | -70.4 | 144.7 | -12.6 | 30.1 | -34.4 | 0 | 0 | 0 | 111.4 | R104 | R104-P122 PolarHBondContact NH1-O 2.83Š|
| 123 | A | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -74.9 | 139 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V42 G45 T46 A48 L120 D127 V152 | V42-A123 HydrophobicContact CG2-CB 3.83Å; G45-A123 PolarHBondContact N-O 2.74Å; T46-A123 WeakPolarHBondContact O-CB 3.43Å; T46-A123 PolarHBondContact O-N 3.37Å; A48-A123 HydrophobicContact CB-CB 4.45Å; L120-A123 HydrophobicContact CD2-CB 4.43Å; A123-D127 WeakPolarHBondContact CA-OD2 3.31Å; A123-V152 HydrophobicContact CB-CG2 4.17Å | ||
| 124 | Q | 95.8 | Very high | 97.2 | Very high | 81 Ų | 81 | 28.2 Ų | 28.2 | 38% | 0.379 | 15% | 0.15 | S | C | . | . | trans | -131.6 | 157 | -172.8 | -66.1 | -176.5 | 89.6 | 0 | 0 | 111.3 | N44 S126 D127 V152 | N44-Q124 WeakPolarHBondContact OD1-CA 3.38Å; Q124-S126 WeakPolarHBondContact CB-OG 3.43Å; Q124-S126 PolarHBondContact O-N 3.09Å; Q124-S126 VanDerWaalsContact O-N 3.08Å; Q124-D127 PolarHBondContact N-OD2 2.73Å; Q124-D127 WeakPolarHBondContact O-CB 3.31Å; Q124-D127 PolarHBondContact O-N 2.9Å; Q124-V152 WeakPolarHBondContact O-CG2 3.3Å | ||
| 125 | F | 95.4 | Very high | 97.2 | Very high | 84 Ų | 84 | 25.4 Ų | 25.4 | 37% | 0.368 | 14% | 0.138 | S | C | . | . | G | 310 helix | trans | -59.3 | -21.5 | 178.1 | -60.7 | -61.2 | 0 | 0 | 0 | 114.8 | N44 Q74 D127 N128 V152 Q154 | N44-F125 HydrophobicContact CB-CD1 4.42Å; N44-F125 HydrophobicContact CB-CD2 4.42Å; N44-F125 HydrophobicContact CB-CE1 3.8Å; N44-F125 HydrophobicContact CB-CE2 3.81Å; N44-F125 HydrophobicContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CB-CZ 3.45Å; N44-F125 VanDerWaalsContact CG-CE2 3.44Å; N44-F125 PolarHBondContact OD1-N 3.44Å; Q74-F125 PolarHBondContact NE2-O 2.93Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-N128 WeakPolarHBondContact O-CB 3.44Å; F125-N128 PolarHBondContact O-ND2 3.45Å; F125-V152 HydrophobicContact CD1-CB 4.32Å; F125-V152 HydrophobicContact CD1-CG1 4.06Å; F125-V152 VanDerWaalsContact CD1-O 3.32Å; F125-V152 WeakPolarHBondContact CD1-O 3.42Å; F125-V152 HydrophobicContact CE1-CG1 4.31Å; F125-V152 WeakPolarHBondContact CE1-O 3.44Å; F125-Q154 HydrophobicContact CE1-CG 4.23Å; F125-Q154 HydrophobicContact CZ-CB 4.48Å; F125-Q154 HydrophobicContact CZ-CG 3.91Å |
| 126 | S | 93.9 | Very high | 97.1 | Very high | 52 Ų | 52 | 27 Ų | 27 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -65.8 | -26 | 170.3 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | Q124 N128 | Q124-S126 WeakPolarHBondContact CB-OG 3.43Å; Q124-S126 PolarHBondContact O-N 3.09Å; Q124-S126 VanDerWaalsContact O-N 3.08Å; S126-N128 PolarHBondContact O-N 2.82Å |
| 127 | D | 95.6 | Very high | 97 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.011 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -85 | 2.8 | -176.9 | -44.4 | -30.4 | 0 | 0 | 0 | 111.7 | F70 F101 R104 L120 A123 Q124 F125 G129 F131 L150 | F70-D127 VanDerWaalsContact CE2-O 3.31Å; F70-D127 WeakPolarHBondContact CE2-O 3.32Å; F101-D127 HydrophobicContact CE1-CB 4.4Å; F101-D127 HydrophobicContact CZ-CB 4.41Å; R104-D127 IonicContact CZ-OD1 3.71Å; R104-D127 IonicContact CZ-OD2 3.73Å; R104-D127 VanDerWaalsContact NH1-CG 3.34Å; R104-D127 IonicContact NH1-OD1 2.67Å; R104-D127 PolarHBondContact NH1-OD1 3.09Å; R104-D127 IonicContact NH1-OD2 2.66Å; R104-D127 PolarHBondContact NH1-OD2 2.86Å; R104-D127 IonicContact NH2-OD1 2.67Å; R104-D127 PolarHBondContact NH2-OD1 3.44Å; R104-D127 IonicContact NH2-OD2 2.68Å; L120-D127 HydrophobicContact CD2-CB 4.01Å; A123-D127 WeakPolarHBondContact CA-OD2 3.31Å; Q124-D127 PolarHBondContact N-OD2 2.73Å; Q124-D127 WeakPolarHBondContact O-CB 3.31Å; Q124-D127 PolarHBondContact O-N 2.9Å; F125-D127 VanDerWaalsContact C-N 3.27Å; D127-G129 PolarHBondContact O-N 2.84Å; D127-F131 HydrophobicContact CB-CZ 4.39Å; D127-F131 WeakPolarHBondContact O-CE2 3.14Å; D127-L150 HydrophobicContact CB-CD2 4.03Å |
| 128 | N | 96.8 | Very high | 96.6 | Very high | 27 Ų | 27 | 29.5 Ų | 29.5 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | trans | -62.1 | 123 | 170.4 | -79.9 | -57.8 | 0 | 0 | 0 | 109.6 | N73 F125 S126 L150 R151 V152 | N73-N128 PolarHBondContact N-O 3.46Å; N73-N128 VanDerWaalsContact N-O 3.11Å; N73-N128 WeakPolarHBondContact OD1-CB 3.47Å; N73-N128 PolarHBondContact OD1-O 2.89Å; N73-N128 VanDerWaalsContact OD1-O 3.11Å; F125-N128 WeakPolarHBondContact O-CB 3.44Å; F125-N128 PolarHBondContact O-ND2 3.45Å; S126-N128 PolarHBondContact O-N 2.82Å; N128-L150 PolarHBondContact OD1-O 3.43Å; N128-R151 WeakPolarHBondContact OD1-CA 3.48Å; N128-V152 PolarHBondContact OD1-N 3.4Å | ||
| 129 | G | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -165 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q71 D127 L150 | Q71-G129 CarbonylContact O-C 3.55Å; Q71-G129 VanDerWaalsContact O-CA 3.26Å; Q71-G129 WeakPolarHBondContact O-CA 3.45Å; D127-G129 PolarHBondContact O-N 2.84Å; G129-L150 PolarHBondContact N-O 2.93Å; G129-L150 PolarHBondContact O-N 2.97Å |
| 130 | T | 98.4 | Very high | 95.7 | Very high | 15 Ų | 15 | 30.3 Ų | 30.3 | 9% | 0.092 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.5 | 175.2 | -53.4 | 0 | 0 | 0 | 0 | 109.8 | F70 Q71 F132 R147 T148 | F70-T130 WeakPolarHBondContact CA-O 3.39Å; Q71-T130 PolarHBondContact N-O 2.95Å; Q71-T130 PolarHBondContact O-N 2.69Å; T130-F132 HydrophobicContact CG2-CD1 4.03Å; T130-F132 HydrophobicContact CG2-CD2 3.97Å; T130-F132 HydrophobicContact CG2-CE1 3.61Å; T130-F132 HydrophobicContact CG2-CE2 3.53Å; T130-F132 HydrophobicContact CG2-CG 4.21Å; T130-F132 HydrophobicContact CG2-CZ 3.35Å; T130-R147 HydrophobicContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-NE 3.34Å; T130-R147 PolarHBondContact OG1-NH2 2.86Å; T130-T148 WeakPolarHBondContact CA-O 3.31Å |
| 131 | F | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 141.7 | 166.3 | -68.5 | -101.4 | 0 | 0 | 0 | 109 | L50 W68 T69 F70 I86 F101 L120 D127 T148 L150 | L50-F131 HydrophobicContact CD1-CB 3.9Å; L50-F131 HydrophobicContact CD1-CD1 3.37Å; L50-F131 HydrophobicContact CD1-CD2 3.94Å; L50-F131 HydrophobicContact CD1-CE1 3.81Å; L50-F131 HydrophobicContact CD1-CE2 4.34Å; L50-F131 HydrophobicContact CD1-CG 3.45Å; L50-F131 VanDerWaalsContact CD1-CG 3.45Å; L50-F131 HydrophobicContact CD1-CZ 4.28Å; W68-F131 HydrophobicContact CE3-CB 4.19Å; W68-F131 HydrophobicContact CZ3-CB 3.89Å; T69-F131 CarbonylContact O-C 3.57Å; T69-F131 WeakPolarHBondContact O-CA 3.06Å; F70-F131 HydrophobicContact CB-CD1 4.22Å; F70-F131 HydrophobicContact CB-CE1 4.15Å; F70-F131 AromaticContact CD2-CD1 3.98Å; F70-F131 HydrophobicContact CD2-CD1 3.98Å; F70-F131 AromaticContact CD2-CD2 3.72Å; F70-F131 HydrophobicContact CD2-CD2 3.72Å; F70-F131 AromaticContact CD2-CE1 3.7Å; F70-F131 HydrophobicContact CD2-CE1 3.7Å; F70-F131 AromaticContact CD2-CE2 3.39Å; F70-F131 HydrophobicContact CD2-CE2 3.39Å; F70-F131 AromaticContact CD2-CG 3.99Å; F70-F131 HydrophobicContact CD2-CG 3.99Å; F70-F131 AromaticContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CD2-CZ 3.38Å; F70-F131 HydrophobicContact CE2-CD2 4.07Å; F70-F131 HydrophobicContact CE2-CE1 4.43Å; F70-F131 AromaticContact CE2-CE2 3.45Å; F70-F131 HydrophobicContact CE2-CE2 3.45Å; F70-F131 VanDerWaalsContact CE2-CE2 3.45Å; F70-F131 AromaticContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CE2-CZ 3.67Å; F70-F131 HydrophobicContact CG-CD1 4.5Å; F70-F131 HydrophobicContact CG-CE1 4.14Å; F70-F131 HydrophobicContact CG-CZ 4.14Å; I86-F131 HydrophobicContact CD1-CD1 3.52Å; I86-F131 HydrophobicContact CD1-CE1 3.52Å; F101-F131 HydrophobicContact CE1-CE1 4.27Å; F101-F131 HydrophobicContact CE1-CZ 4.21Å; F101-F131 HydrophobicContact CZ-CE1 4.19Å; F101-F131 HydrophobicContact CZ-CZ 4.06Å; L120-F131 HydrophobicContact CD2-CE1 4.47Å; L120-F131 HydrophobicContact CD2-CZ 3.94Å; D127-F131 HydrophobicContact CB-CZ 4.39Å; D127-F131 WeakPolarHBondContact O-CE2 3.14Å; F131-T148 PolarHBondContact N-O 2.87Å; F131-T148 PolarHBondContact O-N 2.86Å; F131-L150 HydrophobicContact CD2-CB 3.76Å; F131-L150 HydrophobicContact CD2-CD2 4.34Å; F131-L150 HydrophobicContact CE2-CB 3.57Å; F131-L150 HydrophobicContact CE2-CD2 3.48Å; F131-L150 VanDerWaalsContact CE2-CD2 3.48Å; F131-L150 HydrophobicContact CE2-CG 4.16Å; F131-L150 HydrophobicContact CZ-CD2 3.94Å |
| 132 | F | 98.3 | Very high | 94.5 | Very high | 30 Ų | 30 | 34.7 Ų | 34.7 | 13% | 0.132 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.5 | 179.3 | -48.6 | -105 | 0 | 0 | 0 | 111.5 | W68 T69 Q71 P83 T130 Q145 G146 R147 | W68-F132 WeakPolarHBondContact CA-O 3.42Å; T69-F132 PolarHBondContact N-O 3.02Å; T69-F132 PolarHBondContact O-N 2.78Å; Q71-F132 HydrophobicContact CB-CE2 3.89Å; P83-F132 HydrophobicContact CB-CD2 4.49Å; P83-F132 HydrophobicContact CB-CE2 4.3Å; T130-F132 HydrophobicContact CG2-CD1 4.03Å; T130-F132 HydrophobicContact CG2-CD2 3.97Å; T130-F132 HydrophobicContact CG2-CE1 3.61Å; T130-F132 HydrophobicContact CG2-CE2 3.53Å; T130-F132 HydrophobicContact CG2-CG 4.21Å; T130-F132 HydrophobicContact CG2-CZ 3.35Å; F132-Q145 HydrophobicContact CB-CG 3.89Å; F132-Q145 VanDerWaalsContact CB-NE2 3.27Å; F132-G146 CarbonylContact C-O 3.55Å; F132-G146 WeakPolarHBondContact CA-O 3.46Å; F132-R147 HydrophobicContact CD1-CB 4.23Å; F132-R147 HydrophobicContact CD1-CG 3.98Å; F132-R147 HydrophobicContact CE1-CG 3.93Å |
| 133 | C | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 107.2 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | C52 W68 Q145 G146 | C52-C133 HydrophobicContact CB-CB 3.66Å; C52-C133 WeakPolarHBondContact CB-SG 3.27Å; C52-C133 WeakPolarHBondContact SG-CB 3.37Å; C52-C133 CovalentContact SG-SG 2.03Å; C52-C133 PolarHBondContact SG-SG 3.38Å; W68-C133 HydrophobicContact CD2-CB 4.04Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 HydrophobicContact CH2-CB 3.82Å; W68-C133 HydrophobicContact CZ2-CB 3.76Å; W68-C133 HydrophobicContact CZ3-CB 3.96Å; C133-Q145 WeakPolarHBondContact O-CG 3.18Å; C133-G146 PolarHBondContact N-O 2.93Å; C133-G146 PolarHBondContact O-N 3.21Å |
| 134 | D | 97.2 | Very high | 93.5 | Very high | 36 Ų | 36 | 39.9 Ų | 39.9 | 19% | 0.193 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.5 | 171.6 | 171.4 | 31.2 | 0 | 0 | 0 | 108.5 | V66 S67 K136 Q145 | V66-D134 CarbonylContact C-O 3.17Å; V66-D134 VanDerWaalsContact CA-O 3.29Å; V66-D134 WeakPolarHBondContact CA-O 3.39Å; S67-D134 PolarHBondContact N-O 2.82Å; S67-D134 PolarHBondContact O-N 2.99Å; D134-K136 VanDerWaalsContact OD1-CE 3.32Å; D134-K136 WeakPolarHBondContact OD1-CE 3.47Å; D134-K136 IonicContact OD1-NZ 3.27Å; D134-K136 PolarHBondContact OD1-NZ 2.97Å; D134-K136 WeakPolarHBondContact OD2-CE 3.26Å; D134-K136 IonicContact OD2-NZ 2.64Å; D134-K136 PolarHBondContact OD2-NZ 2.9Å; D134-Q145 HydrophobicContact CB-CG 3.85Å |
| 135 | V | 97.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.9 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | I32 I34 F54 S65 V66 A116 | I32-V135 HydrophobicContact CD1-CB 4Å; I32-V135 HydrophobicContact CD1-CG1 3.74Å; I34-V135 HydrophobicContact CD1-CB 3.88Å; I34-V135 HydrophobicContact CD1-CG2 4.05Å; I34-V135 HydrophobicContact CG1-CB 4.39Å; I34-V135 HydrophobicContact CG1-CG2 4.48Å; F54-V135 HydrophobicContact CB-CG1 4.49Å; F54-V135 HydrophobicContact CD1-CB 4.42Å; F54-V135 HydrophobicContact CD1-CG1 3.73Å; F54-V135 HydrophobicContact CD1-CG2 4.17Å; F54-V135 HydrophobicContact CD2-CG1 4.2Å; F54-V135 HydrophobicContact CE1-CG1 3.84Å; F54-V135 HydrophobicContact CE2-CG1 4.3Å; F54-V135 HydrophobicContact CG-CB 4.48Å; F54-V135 HydrophobicContact CG-CG1 3.9Å; F54-V135 HydrophobicContact CZ-CG1 4.12Å; S65-V135 WeakPolarHBondContact O-CA 3.2Å; V66-V135 HydrophobicContact CG1-CG2 4.26Å; V66-V135 HydrophobicContact CG2-CG1 4.42Å; V66-V135 HydrophobicContact CG2-CG2 4.28Å; A116-V135 HydrophobicContact CB-CG2 4.02Å |
| 136 | K | 95.3 | Very high | 93.6 | Very high | 78 Ų | 78 | 35.7 Ų | 35.7 | 34% | 0.339 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125.7 | 177.6 | -75.2 | 160.9 | -178 | 147.5 | 0 | 108.9 | T64 S65 D134 V141 | T64-K136 CarbonylContact C-O 3.51Å; T64-K136 VanDerWaalsContact CA-O 3.26Å; T64-K136 WeakPolarHBondContact CA-O 3.49Å; T64-K136 WeakPolarHBondContact CG2-O 3.43Å; S65-K136 PolarHBondContact N-O 3.29Å; S65-K136 PolarHBondContact O-N 2.85Å; D134-K136 VanDerWaalsContact OD1-CE 3.32Å; D134-K136 WeakPolarHBondContact OD1-CE 3.47Å; D134-K136 IonicContact OD1-NZ 3.27Å; D134-K136 PolarHBondContact OD1-NZ 2.97Å; D134-K136 WeakPolarHBondContact OD2-CE 3.26Å; D134-K136 IonicContact OD2-NZ 2.64Å; D134-K136 PolarHBondContact OD2-NZ 2.9Å; K136-V141 HydrophobicContact CB-CG1 4.22Å; K136-V141 HydrophobicContact CG-CB 4.24Å; K136-V141 HydrophobicContact CG-CG1 4.4Å |
| 137 | N | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -128.6 | 70.5 | -178.5 | -168.1 | 41.2 | 0 | 0 | 0 | 110.1 | I32 S56 E58 T64 D140 | I32-N137 HydrophobicContact CD1-CB 4.04Å; S56-N137 PolarHBondContact OG-ND2 3.4Å; E58-N137 PolarHBondContact O-ND2 3.08Å; T64-N137 HydrophobicContact CG2-CB 4.12Å; T64-N137 WeakPolarHBondContact CG2-OD1 3.38Å; T64-N137 PolarHBondContact OG1-OD1 3.46Å; N137-D140 CarbonylContact C-O 3.47Å; N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 PolarHBondContact N-O 2.86Å; N137-D140 WeakPolarHBondContact O-CA 3.17Å; N137-D140 WeakPolarHBondContact O-CB 3.22Å; N137-D140 PolarHBondContact O-N 2.83Å |
| 138 | P | 91.8 | Very high | 93.9 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 133 | -164.8 | -24.7 | 33.4 | 0 | 0 | 0 | 113.7 | A63 V141 | A63-P138 HydrophobicContact CB-CG 4.44Å; A63-P138 WeakPolarHBondContact O-CD 3.5Å; P138-V141 HydrophobicContact CB-CG1 4.02Å; P138-V141 HydrophobicContact CG-CG1 3.78Å |
| 139 | P | 89.8 | Confident | 94 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 47% | 0.468 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -73.8 | -13.6 | 8.4 | 28.3 | -37.8 | 0 | 0 | 0 | 117.7 | E58 V141 | E58-P139 HydrophobicContact CG-CG 3.82Å; P139-V141 VanDerWaalsContact C-N 3.32Å; P139-V141 PolarHBondContact O-N 3Å |
| 140 | D | 87.4 | Confident | 94.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 80.9 | 179.4 | -67 | -6.8 | 0 | 0 | 0 | 111.4 | C30 I32 S56 S57 E58 N137 | C30-D140 WeakPolarHBondContact CB-OD1 3.46Å; I32-D140 HydrophobicContact CB-CB 4.24Å; S56-D140 WeakPolarHBondContact CA-OD2 3.37Å; S56-D140 WeakPolarHBondContact CB-OD2 3.29Å; S56-D140 PolarHBondContact OG-OD2 3.38Å; S57-D140 PolarHBondContact N-OD2 3.03Å; S57-D140 PolarHBondContact OG-OD2 2.92Å; E58-D140 HydrophobicContact CG-CB 4.48Å; E58-D140 PolarHBondContact N-OD2 2.57Å; N137-D140 CarbonylContact C-O 3.47Å; N137-D140 HydrophobicContact CB-CB 4.44Å; N137-D140 PolarHBondContact N-O 2.86Å; N137-D140 WeakPolarHBondContact O-CA 3.17Å; N137-D140 WeakPolarHBondContact O-CB 3.22Å; N137-D140 PolarHBondContact O-N 2.83Å |
| 141 | V | 85.8 | Confident | 94.1 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 40% | 0.4 | 25% | 0.246 | S | C | . | . | trans | -114.7 | -6.6 | -179.9 | -57.2 | 0 | 0 | 0 | 0 | 114.3 | K136 P138 P139 | K136-V141 HydrophobicContact CB-CG1 4.22Å; K136-V141 HydrophobicContact CG-CB 4.24Å; K136-V141 HydrophobicContact CG-CG1 4.4Å; P138-V141 HydrophobicContact CB-CG1 4.02Å; P138-V141 HydrophobicContact CG-CG1 3.78Å; P139-V141 VanDerWaalsContact C-N 3.32Å; P139-V141 PolarHBondContact O-N 3Å | ||
| 142 | S | 83.3 | Confident | 94 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 102.7 | -178.1 | -64.8 | 0 | 0 | 0 | 0 | 109.8 | A31 I32 | A31-S142 CarbonylContact C-O 3.5Å; A31-S142 WeakPolarHBondContact CA-O 3.4Å; A31-S142 WeakPolarHBondContact CB-O 3.4Å; I32-S142 PolarHBondContact N-O 3.03Å |
| 143 | G | 84.1 | Confident | 93.9 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 162.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | I32 | I32-G143 WeakPolarHBondContact O-CA 3.4Å |
| 144 | T | 90.1 | Very high | 93.6 | Very high | 122 Ų | 122 | 54.7 Ų | 54.7 | 75% | 0.748 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 128.3 | 171.4 | -58.9 | 0 | 0 | 0 | 0 | 109 | G146 | T144-G146 PolarHBondContact O-N 3.27Š|
| 145 | Q | 95.1 | Very high | 92.7 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -62 | 130.8 | 179.1 | -156.7 | 176.1 | 9.9 | 0 | 0 | 111.1 | F132 C133 D134 | F132-Q145 HydrophobicContact CB-CG 3.89Å; F132-Q145 VanDerWaalsContact CB-NE2 3.27Å; C133-Q145 WeakPolarHBondContact O-CG 3.18Å; D134-Q145 HydrophobicContact CB-CG 3.85Å |
| 146 | G | 97.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 139.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F132 C133 T144 | F132-G146 CarbonylContact C-O 3.55Å; F132-G146 WeakPolarHBondContact CA-O 3.46Å; C133-G146 PolarHBondContact N-O 2.93Å; C133-G146 PolarHBondContact O-N 3.21Å; T144-G146 PolarHBondContact O-N 3.27Å |
| 147 | R | 98.2 | Very high | 89.7 | Confident | 116 Ų | 116 | 66.9 Ų | 66.9 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.2 | -173.4 | -174.4 | -176.7 | 179.4 | -95 | -13 | 111.6 | T130 F132 E149 | T130-R147 HydrophobicContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-CG 3.42Å; T130-R147 VanDerWaalsContact CG2-NE 3.34Å; T130-R147 PolarHBondContact OG1-NH2 2.86Å; F132-R147 HydrophobicContact CD1-CB 4.23Å; F132-R147 HydrophobicContact CD1-CG 3.98Å; F132-R147 HydrophobicContact CE1-CG 3.93Å; R147-E149 IonicContact CZ-OE1 2.58Å; R147-E149 IonicContact NH1-OE1 2.63Å; R147-E149 PolarHBondContact NH1-OE1 3.11Å; R147-E149 IonicContact NH2-OE1 3.44Å; R147-E149 PolarHBondContact NH2-OE1 3.31Å |
| 148 | T | 98.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 123.9 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | D37 V40 L50 T130 F131 | D37-T148 WeakPolarHBondContact O-CA 3.48Å; D37-T148 WeakPolarHBondContact O-CB 3.48Å; D37-T148 VanDerWaalsContact O-CG2 3.24Å; D37-T148 WeakPolarHBondContact O-CG2 3.29Å; D37-T148 PolarHBondContact O-OG1 2.83Å; V40-T148 HydrophobicContact CB-CG2 4.17Å; V40-T148 HydrophobicContact CG2-CG2 3.67Å; L50-T148 HydrophobicContact CD2-CG2 3.83Å; T130-T148 WeakPolarHBondContact CA-O 3.31Å; F131-T148 PolarHBondContact N-O 2.87Å; F131-T148 PolarHBondContact O-N 2.86Å |
| 149 | E | 98.4 | Very high | 86.1 | Confident | 60 Ų | 60 | 74.9 Ų | 74.9 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.4 | 168.4 | -67.5 | -173.1 | -169.1 | 0 | 0 | 110.4 | S38 E39 V40 R147 R151 | S38-E149 PolarHBondContact O-N 3.11Å; E39-E149 CarbonylContact C-O 3.55Å; E39-E149 WeakPolarHBondContact CA-O 3.47Å; V40-E149 PolarHBondContact N-O 2.89Å; R147-E149 IonicContact CZ-OE1 2.58Å; R147-E149 IonicContact NH1-OE1 2.63Å; R147-E149 PolarHBondContact NH1-OE1 3.11Å; R147-E149 IonicContact NH2-OE1 3.44Å; R147-E149 PolarHBondContact NH2-OE1 3.31Å; E149-R151 IonicContact OE2-NH2 2.61Å |
| 150 | L | 98.4 | Very high | 84.6 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 124.2 | 173.5 | -175.8 | 63.9 | 0 | 0 | 0 | 109.8 | V40 V42 A48 L50 L120 D127 N128 G129 F131 V152 | V40-L150 HydrophobicContact CB-CD1 4.08Å; V40-L150 HydrophobicContact CG1-CD1 3.8Å; V42-L150 HydrophobicContact CG2-CD1 3.9Å; A48-L150 HydrophobicContact CB-CD1 4.17Å; L50-L150 HydrophobicContact CD2-CD1 4.28Å; L120-L150 HydrophobicContact CD2-CD2 3.66Å; D127-L150 HydrophobicContact CB-CD2 4.03Å; N128-L150 PolarHBondContact OD1-O 3.43Å; G129-L150 PolarHBondContact N-O 2.93Å; G129-L150 PolarHBondContact O-N 2.97Å; F131-L150 HydrophobicContact CD2-CB 3.76Å; F131-L150 HydrophobicContact CD2-CD2 4.34Å; F131-L150 HydrophobicContact CE2-CB 3.57Å; F131-L150 HydrophobicContact CE2-CD2 3.48Å; F131-L150 VanDerWaalsContact CE2-CD2 3.48Å; F131-L150 HydrophobicContact CE2-CG 4.16Å; F131-L150 HydrophobicContact CZ-CD2 3.94Å; L150-V152 HydrophobicContact CD2-CG2 4.09Å; L150-V152 HydrophobicContact CG-CG2 4.09Å |
| 151 | R | 97.9 | Very high | 83.2 | Confident | 120 Ų | 120 | 80.6 Ų | 80.6 | 45% | 0.453 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 112.4 | 168.4 | -59.1 | -165.2 | -160.5 | -116.9 | -5.8 | 110.8 | E39 V40 I41 V42 N128 E149 | E39-R151 IonicContact OE1-CZ 2.78Å; E39-R151 IonicContact OE1-NE 3.18Å; E39-R151 PolarHBondContact OE1-NE 3.46Å; E39-R151 IonicContact OE1-NH2 3.87Å; E39-R151 PolarHBondContact OE1-NH2 2.58Å; V40-R151 PolarHBondContact O-N 3.45Å; I41-R151 WeakPolarHBondContact CA-O 3.44Å; I41-R151 HydrophobicContact CG1-CB 4.32Å; I41-R151 HydrophobicContact CG2-CB 4.43Å; V42-R151 PolarHBondContact N-O 3.38Å; N128-R151 WeakPolarHBondContact OD1-CA 3.48Å; E149-R151 IonicContact OE2-NH2 2.61Å |
| 152 | V | 97.1 | Very high | 82.1 | Confident | 8 Ų | 8 | 81.6 Ų | 81.6 | 5% | 0.048 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 105.2 | 172.4 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | V42 N44 A123 Q124 F125 N128 L150 | V42-V152 HydrophobicContact CG2-CG2 3.98Å; V42-V152 CarbonylContact O-C 3.46Å; V42-V152 WeakPolarHBondContact O-CA 3.47Å; N44-V152 HydrophobicContact CB-CG1 3.86Å; A123-V152 HydrophobicContact CB-CG2 4.17Å; Q124-V152 WeakPolarHBondContact O-CG2 3.3Å; F125-V152 HydrophobicContact CD1-CB 4.32Å; F125-V152 HydrophobicContact CD1-CG1 4.06Å; F125-V152 VanDerWaalsContact CD1-O 3.32Å; F125-V152 WeakPolarHBondContact CD1-O 3.42Å; F125-V152 HydrophobicContact CE1-CG1 4.31Å; F125-V152 WeakPolarHBondContact CE1-O 3.44Å; N128-V152 PolarHBondContact OD1-N 3.4Å; L150-V152 HydrophobicContact CD2-CG2 4.09Å; L150-V152 HydrophobicContact CG-CG2 4.09Å |
| 153 | V | 96 | Very high | 81.4 | Confident | 62 Ų | 62 | 82.8 Ų | 82.8 | 38% | 0.376 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 159.9 | 178.1 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | I41 V42 Q43 N44 K155 | I41-V153 HydrophobicContact CG2-CG1 3.78Å; I41-V153 HydrophobicContact CG2-CG2 4.26Å; V42-V153 WeakPolarHBondContact O-CG2 3.26Å; V42-V153 PolarHBondContact O-N 2.92Å; Q43-V153 WeakPolarHBondContact CA-O 3.26Å; Q43-V153 HydrophobicContact CG-CG2 4.18Å; N44-V153 PolarHBondContact N-O 2.97Å; V153-K155 PolarHBondContact O-N 3.12Å |
| 154 | Q | 92.7 | Very high | 81.2 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | trans | -59.5 | 136.4 | 171.5 | -63.8 | -176.5 | 27.9 | 0 | 0 | 109.8 | F125 A156 | F125-Q154 HydrophobicContact CE1-CG 4.23Å; F125-Q154 HydrophobicContact CZ-CB 4.48Å; F125-Q154 HydrophobicContact CZ-CG 3.91Å; Q154-A156 PolarHBondContact O-N 2.75Å | ||
| 155 | K | 78.1 | Confident | 80.9 | Confident | 129 Ų | 129 | 83.6 Ų | 83.6 | 56% | 0.561 | 43% | 0.43 | S | S | * | . | trans | -60.6 | 112.7 | 164.8 | 178.6 | -180 | -178.8 | -176 | 0 | 107.1 | Q43 V153 E157 | Q43-K155 HydrophobicContact CB-CB 4.44Å; V153-K155 PolarHBondContact O-N 3.12Å; K155-E157 PolarHBondContact O-N 2.99Å | ||
| 156 | A | 69.5 | Low | 80.5 | Confident | 78 Ų | 78 | 85.2 Ų | 85.2 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | trans | -64.9 | 100.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q154 S158 | Q154-A156 PolarHBondContact O-N 2.75Å; A156-S158 PolarHBondContact O-N 2.9Å | ||
| 157 | E | 60.4 | Low | 80 | Confident | 165 Ų | 165 | 89.3 Ų | 89.3 | 77% | 0.771 | 46% | 0.463 | S | S | * | . | trans | -60 | 111.7 | 166.7 | -64.1 | -157.6 | 133.4 | 0 | 0 | 107 | K155 L159 | K155-E157 PolarHBondContact O-N 2.99Å; E157-L159 PolarHBondContact O-N 3Å | ||
| 158 | S | 53.6 | Low | 79.6 | Confident | 104 Ų | 104 | 88.5 Ų | 88.5 | 73% | 0.727 | 47% | 0.467 | S | S | * | . | trans | -58.3 | 109.3 | 179 | 50.8 | 0 | 0 | 0 | 0 | 107.9 | A156 P160 | A156-S158 PolarHBondContact O-N 2.9Å; S158-P160 VanDerWaalsContact O-N 3.16Å | ||
| 159 | L | 56.9 | Low | 79.3 | Confident | 124 Ų | 124 | 94.7 Ų | 94.7 | 65% | 0.649 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -35.5 | 118.1 | -168.2 | -174.5 | 163.7 | 0 | 0 | 0 | 109.7 | E157 Q161 | E157-L159 PolarHBondContact O-N 3Å; L159-Q161 PolarHBondContact O-N 2.98Å |
| 160 | P | 57 | Low | 79.1 | Confident | 65 Ų | 65 | 94.9 Ų | 94.9 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 109.3 | -154.8 | 8.8 | -27.2 | 0 | 0 | 0 | 111.4 | S158 T162 N163 T164 | S158-P160 VanDerWaalsContact O-N 3.16Å; P160-T162 CarbonylContact O-C 3.59Å; P160-T162 PolarHBondContact O-N 3.5Å; P160-N163 HydrophobicContact CG-CB 4.39Å; P160-N163 WeakPolarHBondContact O-CA 3.48Å; P160-N163 WeakPolarHBondContact O-CB 3.48Å; P160-N163 PolarHBondContact O-N 3.15Å; P160-T164 PolarHBondContact O-N 3.06Å |
| 161 | Q | 58.7 | Low | 78.9 | Confident | 127 Ų | 127 | 98.8 Ų | 98.8 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -61.4 | -22.2 | -167.3 | -155.9 | -164.2 | 37.7 | 0 | 0 | 112.1 | L159 K165 | L159-Q161 PolarHBondContact O-N 2.98Å; Q161-K165 WeakPolarHBondContact O-CB 3.47Å; Q161-K165 WeakPolarHBondContact O-CD 3.09Å; Q161-K165 WeakPolarHBondContact O-CG 3.29Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.07Å |
| 162 | T | 61.7 | Low | 78.8 | Confident | 88 Ų | 88 | 96.1 Ų | 96.1 | 54% | 0.54 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -55.8 | -53.1 | 165.7 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | P160 T164 K165 I166 | P160-T162 CarbonylContact O-C 3.59Å; P160-T162 PolarHBondContact O-N 3.5Å; T162-T164 PolarHBondContact O-N 3.21Å; T162-K165 PolarHBondContact O-N 3.22Å; T162-I166 WeakPolarHBondContact O-CB 3.31Å; T162-I166 WeakPolarHBondContact O-CD1 3.41Å; T162-I166 WeakPolarHBondContact O-CG1 3.19Å; T162-I166 PolarHBondContact O-N 2.81Å |
| 163 | N | 70.4 | Confident | 78.7 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 47% | 0.465 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -43.7 | -178.9 | -68.2 | 2.1 | 0 | 0 | 0 | 111.1 | P160 K165 I166 V167 | P160-N163 HydrophobicContact CG-CB 4.39Å; P160-N163 WeakPolarHBondContact O-CA 3.48Å; P160-N163 WeakPolarHBondContact O-CB 3.48Å; P160-N163 PolarHBondContact O-N 3.15Å; N163-K165 PolarHBondContact O-N 3.02Å; N163-I166 PolarHBondContact O-N 2.89Å; N163-V167 WeakPolarHBondContact O-CB 3.29Å; N163-V167 WeakPolarHBondContact O-CG2 3.37Å; N163-V167 PolarHBondContact O-N 3.44Å |
| 164 | T | 78.3 | Confident | 78.8 | Confident | 63 Ų | 63 | 97.1 Ų | 97.1 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60 | -44.8 | 175.4 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | P160 T162 I168 | P160-T164 PolarHBondContact O-N 3.06Å; T162-T164 PolarHBondContact O-N 3.21Å; T164-I168 HydrophobicContact CG2-CD1 4.11Å; T164-I168 WeakPolarHBondContact O-CD1 3.32Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 2.63Å; T164-I168 VanDerWaalsContact O-N 3.09Å |
| 165 | K | 83.8 | Confident | 79 | Confident | 120 Ų | 120 | 94.1 Ų | 94.1 | 52% | 0.522 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 176.4 | -74.6 | 166.9 | 176.8 | 169.3 | 0 | 112.4 | Q161 T162 N163 L169 | Q161-K165 WeakPolarHBondContact O-CB 3.47Å; Q161-K165 WeakPolarHBondContact O-CD 3.09Å; Q161-K165 WeakPolarHBondContact O-CG 3.29Å; Q161-K165 PolarHBondContact O-N 3.08Å; Q161-K165 VanDerWaalsContact O-N 3.07Å; T162-K165 PolarHBondContact O-N 3.22Å; N163-K165 PolarHBondContact O-N 3.02Å; K165-L169 WeakPolarHBondContact O-CB 3.42Å; K165-L169 PolarHBondContact O-N 2.86Å |
| 166 | I | 87.3 | Confident | 79.9 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 55% | 0.549 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -44.8 | 178.5 | -70.4 | 162.5 | 0 | 0 | 0 | 111 | T162 N163 L169 A170 | T162-I166 WeakPolarHBondContact O-CB 3.31Å; T162-I166 WeakPolarHBondContact O-CD1 3.41Å; T162-I166 WeakPolarHBondContact O-CG1 3.19Å; T162-I166 PolarHBondContact O-N 2.81Å; N163-I166 PolarHBondContact O-N 2.89Å; I166-L169 PolarHBondContact O-N 3.13Å; I166-A170 WeakPolarHBondContact O-CB 3.35Å; I166-A170 PolarHBondContact O-N 2.87Å |
| 167 | V | 87.7 | Confident | 81.2 | Confident | 91 Ų | 91 | 95.4 Ų | 95.4 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 177.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | N163 A170 V171 | N163-V167 WeakPolarHBondContact O-CB 3.29Å; N163-V167 WeakPolarHBondContact O-CG2 3.37Å; N163-V167 PolarHBondContact O-N 3.44Å; V167-A170 PolarHBondContact O-N 2.93Å; V167-V171 WeakPolarHBondContact O-CG2 3.47Å; V167-V171 PolarHBondContact O-N 2.81Å |
| 168 | I | 89.7 | Confident | 83 | Confident | 100 Ų | 100 | 93.2 Ų | 93.2 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.9 | -48.1 | 175.4 | -68.7 | 165.5 | 0 | 0 | 0 | 110.6 | T164 A170 V171 C172 | T164-I168 HydrophobicContact CG2-CD1 4.11Å; T164-I168 WeakPolarHBondContact O-CD1 3.32Å; T164-I168 VanDerWaalsContact O-CG1 3.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.39Å; T164-I168 PolarHBondContact O-N 2.63Å; T164-I168 VanDerWaalsContact O-N 3.09Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.94Å; I168-V171 PolarHBondContact O-N 2.92Å; I168-C172 WeakPolarHBondContact O-CB 3.25Å; I168-C172 PolarHBondContact O-N 2.93Å; I168-C172 PolarHBondContact O-SG 3.44Å; I168-C172 VanDerWaalsContact O-SG 3.37Å |
| 169 | L | 91.4 | Very high | 85 | Confident | 130 Ų | 130 | 93.2 Ų | 93.2 | 68% | 0.681 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -41.8 | 179.8 | -175.1 | 65.4 | 0 | 0 | 0 | 112.2 | K165 I166 G173 | K165-L169 WeakPolarHBondContact O-CB 3.42Å; K165-L169 PolarHBondContact O-N 2.86Å; I166-L169 PolarHBondContact O-N 3.13Å; L169-G173 PolarHBondContact O-N 2.63Å |
| 170 | A | 94.1 | Very high | 86.9 | Confident | 64 Ų | 64 | 89.8 Ų | 89.8 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I166 V167 I168 G173 A174 | I166-A170 WeakPolarHBondContact O-CB 3.35Å; I166-A170 PolarHBondContact O-N 2.87Å; V167-A170 PolarHBondContact O-N 2.93Å; I168-A170 VanDerWaalsContact C-N 3.34Å; I168-A170 PolarHBondContact O-N 2.94Å; A170-G173 PolarHBondContact O-N 2.96Å; A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.33Å |
| 171 | V | 95.8 | Very high | 88.9 | Confident | 84 Ų | 84 | 90.9 Ų | 90.9 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -45.7 | 178.6 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | V167 I168 A174 L175 | V167-V171 WeakPolarHBondContact O-CG2 3.47Å; V167-V171 PolarHBondContact O-N 2.81Å; I168-V171 PolarHBondContact O-N 2.92Å; V171-A174 PolarHBondContact O-N 3.23Å; V171-L175 HydrophobicContact CG1-CD1 4.1Å; V171-L175 WeakPolarHBondContact O-CG 3.22Å; V171-L175 PolarHBondContact O-N 2.96Å; V171-L175 VanDerWaalsContact O-N 3.08Å |
| 172 | C | 95.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 87.3 Ų | 87.3 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176 | -69.1 | 0 | 0 | 0 | 0 | 112 | I168 L175 I176 | I168-C172 WeakPolarHBondContact O-CB 3.25Å; I168-C172 PolarHBondContact O-N 2.93Å; I168-C172 PolarHBondContact O-SG 3.44Å; I168-C172 VanDerWaalsContact O-SG 3.37Å; C172-L175 PolarHBondContact O-N 2.84Å; C172-I176 WeakPolarHBondContact O-CD1 3.33Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.22Å; C172-I176 PolarHBondContact O-N 2.84Å |
| 173 | G | 95.4 | Very high | 92.3 | Very high | 39 Ų | 39 | 88.4 Ų | 88.4 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L169 A170 I176 L177 | L169-G173 PolarHBondContact O-N 2.63Å; A170-G173 PolarHBondContact O-N 2.96Å; G173-I176 PolarHBondContact O-N 2.99Å; G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 3.15Å |
| 174 | A | 96.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 87.1 Ų | 87.1 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -42.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A170 V171 L177 L178 | A170-A174 WeakPolarHBondContact O-CB 3.49Å; A170-A174 PolarHBondContact O-N 3.33Å; V171-A174 PolarHBondContact O-N 3.23Å; A174-L177 PolarHBondContact O-N 2.81Å; A174-L178 WeakPolarHBondContact O-CG 3.47Å; A174-L178 PolarHBondContact O-N 3.01Å |
| 175 | L | 97.3 | Very high | 94.4 | Very high | 97 Ų | 97 | 86.7 Ų | 86.7 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.2 | -75.3 | 166.4 | 0 | 0 | 0 | 112.1 | V171 C172 L177 L178 I179 | V171-L175 HydrophobicContact CG1-CD1 4.1Å; V171-L175 WeakPolarHBondContact O-CG 3.22Å; V171-L175 PolarHBondContact O-N 2.96Å; V171-L175 VanDerWaalsContact O-N 3.08Å; C172-L175 PolarHBondContact O-N 2.84Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.16Å; L175-L178 PolarHBondContact O-N 3.5Å; L175-I179 WeakPolarHBondContact O-CD1 3.25Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 2.68Å |
| 176 | I | 97.1 | Very high | 94.9 | Very high | 118 Ų | 118 | 84.8 Ų | 84.8 | 61% | 0.605 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 177.4 | -68.4 | 164.1 | 0 | 0 | 0 | 110.8 | C172 G173 I179 A180 | C172-I176 WeakPolarHBondContact O-CD1 3.33Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.22Å; C172-I176 PolarHBondContact O-N 2.84Å; G173-I176 PolarHBondContact O-N 2.99Å; I176-I179 PolarHBondContact O-N 2.98Å; I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 2.89Å |
| 177 | L | 96.8 | Very high | 95.3 | Very high | 115 Ų | 115 | 86.7 Ų | 86.7 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -44.7 | 177.5 | -177.7 | 62.5 | 0 | 0 | 0 | 112.1 | G173 A174 L175 I179 A180 V181 | G173-L177 WeakPolarHBondContact O-CB 3.5Å; G173-L177 PolarHBondContact O-N 3.15Å; A174-L177 PolarHBondContact O-N 2.81Å; L175-L177 VanDerWaalsContact C-N 3.33Å; L175-L177 PolarHBondContact O-N 3.16Å; L177-I179 PolarHBondContact O-N 2.93Å; L177-A180 PolarHBondContact O-N 3Å; L177-V181 HydrophobicContact CD1-CG2 4.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 2.99Å |
| 178 | L | 97.2 | Very high | 95.5 | Very high | 120 Ų | 120 | 84.5 Ų | 84.5 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 176.6 | -72.5 | 171.3 | 0 | 0 | 0 | 112 | A174 L175 V181 A182 | A174-L178 WeakPolarHBondContact O-CG 3.47Å; A174-L178 PolarHBondContact O-N 3.01Å; L175-L178 PolarHBondContact O-N 3.5Å; L178-V181 PolarHBondContact O-N 3.07Å; L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 3.22Å |
| 179 | I | 97.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 83.5 Ų | 83.5 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 176.2 | -68.3 | 164.5 | 0 | 0 | 0 | 110.7 | L175 I176 L177 A182 I183 | L175-I179 WeakPolarHBondContact O-CD1 3.25Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.32Å; L175-I179 PolarHBondContact O-N 2.68Å; I176-I179 PolarHBondContact O-N 2.98Å; L177-I179 PolarHBondContact O-N 2.93Å; I179-A182 PolarHBondContact O-N 2.66Å; I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.47Å; I179-I183 VanDerWaalsContact O-CG1 3.3Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.19Å |
| 180 | A | 96.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 86 Ų | 86 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I176 L177 I183 A184 | I176-A180 WeakPolarHBondContact O-CB 3.44Å; I176-A180 PolarHBondContact O-N 2.89Å; L177-A180 PolarHBondContact O-N 3Å; A180-I183 PolarHBondContact O-N 2.96Å; A180-A184 WeakPolarHBondContact O-CB 3.12Å; A180-A184 PolarHBondContact O-N 3.29Å |
| 181 | V | 97.3 | Very high | 95.1 | Very high | 88 Ų | 88 | 85.8 Ų | 85.8 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L177 L178 A184 A185 | L177-V181 HydrophobicContact CD1-CG2 4.42Å; L177-V181 WeakPolarHBondContact O-CG2 3.26Å; L177-V181 PolarHBondContact O-N 2.99Å; L178-V181 PolarHBondContact O-N 3.07Å; V181-A184 PolarHBondContact O-N 3.38Å; V181-A185 WeakPolarHBondContact O-CB 3.19Å; V181-A185 PolarHBondContact O-N 3.13Å |
| 182 | A | 96.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 86.3 Ų | 86.3 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L178 I179 A185 C186 | L178-A182 WeakPolarHBondContact O-CB 3.46Å; L178-A182 PolarHBondContact O-N 3.22Å; I179-A182 PolarHBondContact O-N 2.66Å; A182-A185 PolarHBondContact O-N 3.06Å; A182-C186 WeakPolarHBondContact O-CB 3.39Å; A182-C186 PolarHBondContact O-N 3.47Å; A182-C186 PolarHBondContact O-SG 3.13Å; A182-C186 VanDerWaalsContact O-SG 3.35Å |
| 183 | I | 96.8 | Very high | 93.9 | Very high | 111 Ų | 111 | 88.6 Ų | 88.6 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -45.1 | 176 | -68.9 | 166.6 | 0 | 0 | 0 | 110.9 | I179 A180 A185 C186 F187 | I179-I183 HydrophobicContact CG2-CD1 3.76Å; I179-I183 HydrophobicContact CG2-CG1 4.47Å; I179-I183 VanDerWaalsContact O-CG1 3.3Å; I179-I183 WeakPolarHBondContact O-CG1 3.3Å; I179-I183 PolarHBondContact O-N 3.19Å; A180-I183 PolarHBondContact O-N 2.96Å; I183-A185 PolarHBondContact O-N 3.21Å; I183-C186 PolarHBondContact O-N 3.05Å; I183-F187 WeakPolarHBondContact O-CB 3.31Å; I183-F187 PolarHBondContact O-N 3.12Å |
| 184 | A | 95.9 | Very high | 92.9 | Very high | 60 Ų | 60 | 92.3 Ų | 92.3 | 50% | 0.496 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | A180 V181 F187 A188 | A180-A184 WeakPolarHBondContact O-CB 3.12Å; A180-A184 PolarHBondContact O-N 3.29Å; V181-A184 PolarHBondContact O-N 3.38Å; A184-F187 PolarHBondContact O-N 3.27Å; A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.27Å |
| 185 | A | 95.8 | Very high | 91.8 | Very high | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V181 A182 I183 F187 A188 V189 | V181-A185 WeakPolarHBondContact O-CB 3.19Å; V181-A185 PolarHBondContact O-N 3.13Å; A182-A185 PolarHBondContact O-N 3.06Å; I183-A185 PolarHBondContact O-N 3.21Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.46Å; A185-A188 PolarHBondContact O-N 2.64Å; A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 3.32Å |
| 186 | C | 94.2 | Very high | 90.1 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 53% | 0.534 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 175.2 | -73.7 | 0 | 0 | 0 | 0 | 112.7 | A182 I183 R190 | A182-C186 WeakPolarHBondContact O-CB 3.39Å; A182-C186 PolarHBondContact O-N 3.47Å; A182-C186 PolarHBondContact O-SG 3.13Å; A182-C186 VanDerWaalsContact O-SG 3.35Å; I183-C186 PolarHBondContact O-N 3.05Å; C186-R190 WeakPolarHBondContact O-CB 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.48Å; C186-R190 PolarHBondContact O-N 3.04Å |
| 187 | F | 94.9 | Very high | 88.1 | Confident | 147 Ų | 147 | 99.8 Ų | 99.8 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.8 | -46.8 | 175.1 | -174.1 | -99 | 0 | 0 | 0 | 111.5 | I183 A184 A185 V189 R190 V191 | I183-F187 WeakPolarHBondContact O-CB 3.31Å; I183-F187 PolarHBondContact O-N 3.12Å; A184-F187 PolarHBondContact O-N 3.27Å; A185-F187 VanDerWaalsContact C-N 3.32Å; A185-F187 PolarHBondContact O-N 3.46Å; F187-V189 PolarHBondContact O-N 3.32Å; F187-R190 PolarHBondContact O-N 2.89Å; F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.73Å; F187-V191 HydrophobicContact CE2-CG2 4.35Å; F187-V191 HydrophobicContact CZ-CG2 3.87Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 2.99Å |
| 188 | A | 92.4 | Very high | 85.9 | Confident | 46 Ų | 46 | 104.3 Ų | 104.3 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A184 A185 R190 V191 I192 | A184-A188 WeakPolarHBondContact O-CB 3.47Å; A184-A188 PolarHBondContact O-N 3.27Å; A185-A188 PolarHBondContact O-N 2.64Å; A188-R190 PolarHBondContact O-N 3.4Å; A188-V191 PolarHBondContact O-N 3.34Å; A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 2.94Å |
| 189 | V | 91.3 | Very high | 83.9 | Confident | 78 Ų | 78 | 104.8 Ų | 104.8 | 47% | 0.473 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A185 F187 V191 I192 Q193 | A185-V189 WeakPolarHBondContact O-CG2 3.36Å; A185-V189 PolarHBondContact O-N 3.32Å; F187-V189 PolarHBondContact O-N 3.32Å; V189-V191 PolarHBondContact O-N 2.96Å; V189-I192 PolarHBondContact O-N 3.41Å; V189-Q193 HydrophobicContact CG1-CG 4.39Å; V189-Q193 WeakPolarHBondContact O-CG 3.49Å; V189-Q193 PolarHBondContact O-N 2.96Å |
| 190 | R | 89.1 | Confident | 81.6 | Confident | 183 Ų | 183 | 103.3 Ų | 103.3 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.4 | -41.2 | 176.2 | -77.1 | -179.1 | 176.7 | -148.7 | -0.7 | 112.7 | C186 F187 A188 I192 Q193 N194 | C186-R190 WeakPolarHBondContact O-CB 3.31Å; C186-R190 WeakPolarHBondContact O-CG 3.48Å; C186-R190 PolarHBondContact O-N 3.04Å; F187-R190 PolarHBondContact O-N 2.89Å; A188-R190 PolarHBondContact O-N 3.4Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.94Å; R190-Q193 PolarHBondContact O-N 3.43Å; R190-N194 VanDerWaalsContact O-CB 3.22Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.42Å |
| 191 | V | 86.5 | Confident | 79.3 | Confident | 59 Ų | 59 | 106.6 Ų | 106.6 | 36% | 0.358 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66 | -34.2 | 176.8 | 170 | 0 | 0 | 0 | 0 | 111.8 | F187 A188 V189 R195 | F187-V191 HydrophobicContact CD1-CG2 4.1Å; F187-V191 HydrophobicContact CE1-CG2 3.73Å; F187-V191 HydrophobicContact CE2-CG2 4.35Å; F187-V191 HydrophobicContact CZ-CG2 3.87Å; F187-V191 WeakPolarHBondContact O-CG2 3.28Å; F187-V191 PolarHBondContact O-N 2.99Å; A188-V191 PolarHBondContact O-N 3.34Å; V189-V191 PolarHBondContact O-N 2.96Å; V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 3.38Å |
| 192 | I | 84.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 49% | 0.487 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -71.5 | -47 | 175.6 | -68.4 | 164.7 | 0 | 0 | 0 | 110.8 | A188 V189 R190 N194 R195 H196 | A188-I192 VanDerWaalsContact O-CG1 3.27Å; A188-I192 WeakPolarHBondContact O-CG1 3.35Å; A188-I192 PolarHBondContact O-N 2.94Å; V189-I192 PolarHBondContact O-N 3.41Å; R190-I192 VanDerWaalsContact C-N 3.32Å; R190-I192 PolarHBondContact O-N 2.94Å; I192-N194 PolarHBondContact O-N 2.99Å; I192-R195 WeakPolarHBondContact O-CB 3.5Å; I192-R195 PolarHBondContact O-N 3.45Å; I192-H196 WeakPolarHBondContact CG2-NE2 3.31Å; I192-H196 PolarHBondContact O-CD2 3.36Å; I192-H196 PolarHBondContact O-N 2.98Å; I192-H196 VanDerWaalsContact O-N 3.13Å |
| 193 | Q | 81.3 | Confident | 74.1 | Confident | 111 Ų | 111 | 111.7 Ų | 111.7 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.3 | -51 | 175.2 | -73.3 | 174.2 | -38.6 | 0 | 0 | 111.5 | V189 R190 R195 H196 D197 | V189-Q193 HydrophobicContact CG1-CG 4.39Å; V189-Q193 WeakPolarHBondContact O-CG 3.49Å; V189-Q193 PolarHBondContact O-N 2.96Å; R190-Q193 PolarHBondContact O-N 3.43Å; Q193-R195 PolarHBondContact O-N 3.34Å; Q193-H196 PolarHBondContact O-N 3.48Å; Q193-D197 PolarHBondContact O-N 3.44Å |
| 194 | N | 75.1 | Confident | 71.9 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.5 | -1.6 | 178.6 | -156.2 | 117.2 | 0 | 0 | 0 | 113.5 | R190 I192 | R190-N194 VanDerWaalsContact O-CB 3.22Å; R190-N194 WeakPolarHBondContact O-CB 3.48Å; R190-N194 PolarHBondContact O-N 3.42Å; I192-N194 PolarHBondContact O-N 2.99Å |
| 195 | R | 72.6 | Confident | 69.1 | Low | 181 Ų | 181 | 120.4 Ų | 120.4 | 68% | 0.683 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -97.1 | -39.5 | 165.6 | -78 | -178.1 | 178.3 | -146.6 | -0.2 | 112.3 | V191 I192 Q193 D197 Y198 E199 | V191-R195 WeakPolarHBondContact O-CG 3.47Å; V191-R195 PolarHBondContact O-N 3.38Å; I192-R195 WeakPolarHBondContact O-CB 3.5Å; I192-R195 PolarHBondContact O-N 3.45Å; Q193-R195 PolarHBondContact O-N 3.34Å; R195-D197 VanDerWaalsContact C-N 3.29Å; R195-D197 PolarHBondContact O-N 3.06Å; R195-Y198 WeakPolarHBondContact O-CA 3.44Å; R195-Y198 WeakPolarHBondContact O-CB 3.4Å; R195-Y198 PolarHBondContact O-N 3.24Å; R195-E199 PolarHBondContact O-N 3.47Å |
| 196 | H | 61.6 | Low | 66.2 | Low | 112 Ų | 112 | 121.6 Ų | 121.6 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66 | -31.4 | 175.8 | -65.5 | -46.7 | 0 | 0 | 0 | 112.8 | I192 Q193 Y198 E199 | I192-H196 WeakPolarHBondContact CG2-NE2 3.31Å; I192-H196 PolarHBondContact O-CD2 3.36Å; I192-H196 PolarHBondContact O-N 2.98Å; I192-H196 VanDerWaalsContact O-N 3.13Å; Q193-H196 PolarHBondContact O-N 3.48Å; H196-Y198 PolarHBondContact O-N 3.37Å; H196-Y198 VanDerWaalsContact O-N 3.08Å; H196-E199 IonicContact CE1-OE2 2.78Å; H196-E199 IonicContact CG-OE2 3.7Å; H196-E199 IonicContact ND1-OE2 3.21Å; H196-E199 PolarHBondContact ND1-OE2 3.09Å; H196-E199 PolarHBondContact O-N 3.45Å |
| 197 | D | 55.9 | Low | 63.5 | Low | 132 Ų | 132 | 122.6 Ų | 122.6 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -17 | 169 | -65 | -42.2 | 0 | 0 | 0 | 113.1 | Q193 R195 | Q193-D197 PolarHBondContact O-N 3.44Å; R195-D197 VanDerWaalsContact C-N 3.29Å; R195-D197 PolarHBondContact O-N 3.06Å |
| 198 | Y | 50.9 | Low | 60.6 | Low | 209 Ų | 209 | 121.5 Ų | 121.5 | 82% | 0.82 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -13 | 177.1 | -132.8 | -84.3 | 0 | 0 | 0 | 113.6 | R195 H196 | R195-Y198 WeakPolarHBondContact O-CA 3.44Å; R195-Y198 WeakPolarHBondContact O-CB 3.4Å; R195-Y198 PolarHBondContact O-N 3.24Å; H196-Y198 PolarHBondContact O-N 3.37Å; H196-Y198 VanDerWaalsContact O-N 3.08Å |
| 199 | E | 54.7 | Low | 57.8 | Low | 130 Ų | 130 | 123.6 Ų | 123.6 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -10.3 | 179.9 | -67.6 | 179.3 | 131 | 0 | 0 | 112.7 | R195 H196 C201 | R195-E199 PolarHBondContact O-N 3.47Å; H196-E199 IonicContact CE1-OE2 2.78Å; H196-E199 IonicContact CG-OE2 3.7Å; H196-E199 IonicContact ND1-OE2 3.21Å; H196-E199 PolarHBondContact ND1-OE2 3.09Å; H196-E199 PolarHBondContact O-N 3.45Å; E199-C201 PolarHBondContact O-N 2.95Å |
| 200 | G | 49.8 | Very low | 54.9 | Low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 21.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 201 | C | 48 | Very low | 52.3 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.8 | 42.4 | -174.3 | -146.7 | 0 | 0 | 0 | 0 | 115.6 | E199 | E199-C201 PolarHBondContact O-N 2.95Š|
| 202 | T | 45.9 | Very low | 50.3 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -137.6 | 139.3 | 164.1 | 49 | 0 | 0 | 0 | 0 | 112.7 | ||
| 203 | S | 39.7 | Very low | 47.7 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | 70 | 81.2 | 172.2 | -141.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 204 | L | 48.5 | Very low | 45.9 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | trans | -71 | 175.5 | 133.8 | -83.8 | 168.9 | 0 | 0 | 0 | 109.9 | ||||
| 205 | E | 39 | Very low | 43.8 | Very low | 186 Ų | 186 | 132.8 Ų | 132.8 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | 82.9 | 129.8 | 174.9 | -139.2 | 80.6 | 128.9 | 0 | 0 | 117.2 | ||||
| 206 | G | 34.9 | Very low | 41.9 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 131.6 | 88 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 207 | A | 37.7 | Very low | 40.2 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -99.5 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 208 | S | 32.3 | Very low | 39.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | 82.7 | 137.5 | 170.3 | -160.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 209 | S | 34.3 | Very low | 38 | Very low | 91 Ų | 91 | 132.5 Ų | 132.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -162.2 | -178.7 | -24.5 | -164.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 210 | E | 30.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | trans | 75.5 | 125.5 | 154.1 | -119.1 | 56.1 | -142.8 | 0 | 0 | 120.7 | ||||
| 211 | A | 35.3 | Very low | 35.8 | Very low | 81 Ų | 81 | 133 Ų | 133 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | trans | -130.4 | 153.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 212 | P | 43 | Very low | 35.1 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -147 | 130.3 | 112.9 | 32 | -14.6 | 0 | 0 | 0 | 116.5 | |||||
| 213 | R | 30.7 | Very low | 34.4 | Very low | 233 Ų | 233 | 138.1 Ų | 138.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | 16.7 | 160.9 | 121.5 | -59.3 | -175.6 | -174.9 | -164.6 | 2.9 | 120.2 | |||||
| 214 | P | 44.3 | Very low | 33.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -126.5 | -129.6 | -10.4 | 22.1 | 6.4 | 0 | 0 | 0 | 110.8 | ||||
| 215 | L | 31.1 | Very low | 33.1 | Very low | 124 Ų | 124 | 135 Ų | 135 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | -166.1 | 116.5 | -0.9 | -168.3 | 63.7 | 0 | 0 | 0 | 114.8 | ||||
| 216 | K | 31.4 | Very low | 32.7 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | 63.5 | 163.2 | 153.2 | -71.6 | 174.1 | -172.7 | 168.2 | 0 | 118 | ||||
| 217 | K | 27.1 | Very low | 32.4 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | cis | -168.9 | 155.6 | -19.1 | 161.1 | 176.1 | 176.4 | -173.8 | 0 | 110.3 | ||||
| 218 | A | 31.4 | Very low | 32.1 | Very low | 77 Ų | 77 | 140.2 Ų | 140.2 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | 78.1 | 112.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 219 | E | 28.8 | Very low | 32 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | 34.3 | 120.9 | 99.4 | -133.4 | 82.1 | 156.8 | 0 | 0 | 119.6 | |||||
| 220 | S | 29.6 | Very low | 32.7 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | 164.1 | 113.3 | 115 | 175.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 221 | S | 28.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 33.7 | 127.4 | 136.7 | -152.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 222 | R | 33 | Very low | 32.6 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | 136.3 | 134.7 | 112.6 | -154.7 | 165.7 | 179.3 | 126.4 | 20.8 | 116.8 | |||||
| 223 | E | 30.4 | Very low | 33 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | 5.6 | 133.9 | 160.6 | -58.4 | 168 | 127.3 | 0 | 0 | 121.4 | ||||
| 224 | G | 31 | Very low | 33 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | -167.9 | 123 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 225 | T | 29.9 | Very low | 32.7 | Very low | 139 Ų | 139 | 136 Ų | 136 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -120.9 | 150.3 | -170.9 | -50.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 226 | R | 31.3 | Very low | 32.9 | Very low | 219 Ų | 219 | 136.5 Ų | 136.5 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 93.2 | 105.9 | 156.5 | -167.2 | 172.4 | -75.3 | 155.1 | -3.8 | 119.2 | ||||
| 227 | S | 29.5 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 31.5 | 129 | 132.2 | -42.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 228 | T | 29.8 | Very low | 33.6 | Very low | 148 Ų | 148 | 127.1 Ų | 127.1 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | trans | -138 | 154.5 | 144.8 | -39.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 229 | S | 31.3 | Very low | 34.4 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -105.4 | -143.3 | -173.5 | -58.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 230 | P | 49.3 | Very low | 34.7 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | -127.3 | -178.7 | -104.1 | 40.6 | -23.8 | 0 | 0 | 0 | 115 | |||||
| 231 | S | 31.8 | Very low | 34.9 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -138.6 | 135 | 164.1 | -71.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | G | 31 | Very low | 35.2 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | -92.8 | -145.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 233 | P | 51.1 | Low | 35.3 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | cis | -142.5 | -154.8 | 13.9 | 33.4 | -7.8 | 0 | 0 | 0 | 114.8 | ||||
| 234 | L | 31.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | 83.2 | 143.1 | 164.3 | -45.4 | 178.6 | 0 | 0 | 0 | 116.6 | ||||
| 235 | Q | 37.2 | Very low | 37.1 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 73% | 0.729 | 80% | 0.799 | S | S | * | * | cis | -158.4 | 149.2 | -6.1 | -124.3 | -176 | 79.3 | 0 | 0 | 114.1 | ||||
| 236 | V | 34.2 | Very low | 37.2 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 43.4 | 130 | 142.5 | 171.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 237 | G | 33 | Very low | 37.3 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 170 | 139 | 158.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 238 | A | 40.2 | Very low | 37.6 | Very low | 100 Ų | 100 | 125.9 Ų | 125.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -136.8 | -169.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 239 | P | 49.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | -123 | 163.4 | -97.8 | 37.2 | -21.2 | 0 | 0 | 0 | 116.2 | |||||
| 240 | G | 33.6 | Very low | 38 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -151 | 110.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | R | 34.3 | Very low | 37.5 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -15.3 | 142.3 | 169.2 | -79.5 | -177.8 | 171.2 | -161.6 | -3.3 | 123.5 | ||||
| 242 | R | 35.3 | Very low | 38.3 | Very low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 79% | 0.793 | S | S | * | * | trans | 83.5 | 94.7 | 136.6 | -75.8 | -172.5 | -65.8 | -164.3 | 1.5 | 122.3 | ||||
| 243 | N | 35.4 | Very low | 39 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | 74.1 | 153.8 | 124.8 | -72.7 | 28.2 | 0 | 0 | 0 | 123 | |||||
| 244 | P | 52 | Low | 38.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -104.5 | -168.5 | -165.7 | 46.7 | -37.2 | 0 | 0 | 0 | 111.6 | ||||
| 245 | P | 47.2 | Very low | 39.8 | Very low | 129 Ų | 129 | 129.9 Ų | 129.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | cis | -141.8 | 178.1 | 15 | 44.1 | -24.5 | 0 | 0 | 0 | 118.8 | ||||
| 246 | G | 32.9 | Very low | 39.9 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 174.6 | 84 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 247 | A | 33.4 | Very low | 40.7 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | trans | -98.5 | 112.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L249 | A247-L249 PolarHBondContact O-N 3.1Š| ||
| 248 | T | 34.2 | Very low | 41 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -82.6 | 114.6 | 178.7 | -40.7 | 0 | 0 | 0 | 0 | 110.8 | S250 | T248-S250 PolarHBondContact O-N 3.13Š| ||
| 249 | L | 33.9 | Very low | 41.2 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | trans | -75.5 | 111 | 179.7 | -178.5 | 65.6 | 0 | 0 | 0 | 111.4 | A247 K251 | A247-L249 PolarHBondContact O-N 3.1Å; L249-K251 PolarHBondContact O-N 2.98Å | ||
| 250 | S | 35.6 | Very low | 40.6 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73 | 120.5 | 171.4 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | T248 | T248-S250 PolarHBondContact O-N 3.13Š|
| 251 | K | 39.5 | Very low | 41.2 | Very low | 200 Ų | 200 | 142.1 Ų | 142.1 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 127.7 | 168.6 | -73.6 | -176.4 | 175 | -179.3 | 0 | 109.7 | L249 | L249-K251 PolarHBondContact O-N 2.98Š|
| 252 | G | 48.3 | Very low | 41.7 | Very low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 168.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 253 | P | 45.5 | Very low | 42 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.9 | -179.2 | 29.4 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 254 | V | 49.9 | Very low | 42 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 126.7 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 109 | Y256 | V254-Y256 HydrophobicContact CB-CE2 4.43Å; V254-Y256 HydrophobicContact CG1-CD2 4.21Å; V254-Y256 HydrophobicContact CG1-CE2 3.79Å |
| 255 | I | 49.6 | Very low | 41.6 | Very low | 149 Ų | 149 | 134 Ų | 134 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 124.3 | 171.7 | -58 | 176.2 | 0 | 0 | 0 | 107.9 | ||
| 256 | Y | 41 | Very low | 41.4 | Very low | 205 Ų | 205 | 135.3 Ų | 135.3 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 136.7 | 169.9 | -69.4 | -89.4 | 0 | 0 | 0 | 109.7 | V254 | V254-Y256 HydrophobicContact CB-CE2 4.43Å; V254-Y256 HydrophobicContact CG1-CD2 4.21Å; V254-Y256 HydrophobicContact CG1-CE2 3.79Å |
| 257 | V | 49.2 | Very low | 41.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -107.8 | 121.1 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 258 | Q | 40.3 | Very low | 42.5 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 77% | 0.771 | 79% | 0.787 | S | S | * | * | trans | -75.7 | 130.8 | 171.6 | -165.7 | 78.7 | -13.8 | 0 | 0 | 108.9 | ||||
| 259 | L | 43.9 | Very low | 42.9 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | -112.4 | 105.7 | 173.5 | -82.6 | 166.6 | 0 | 0 | 0 | 109.5 | H261 | L259-H261 PolarHBondContact O-CD2 3.41Å; L259-H261 PolarHBondContact O-N 3.06Å; L259-H261 VanDerWaalsContact O-N 3.09Å | ||
| 260 | D | 38 | Very low | 43.1 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -75.2 | 95.9 | 179.2 | -70.8 | -37.5 | 0 | 0 | 0 | 111.2 | S262 | D260-S262 PolarHBondContact O-N 3.46Š| ||
| 261 | H | 46 | Very low | 43.5 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -80.1 | 83.6 | 172.7 | -74.9 | -76 | 0 | 0 | 0 | 111.4 | L259 G263 | L259-H261 PolarHBondContact O-CD2 3.41Å; L259-H261 PolarHBondContact O-N 3.06Å; L259-H261 VanDerWaalsContact O-N 3.09Å; H261-G263 PolarHBondContact O-N 3.12Å | ||
| 262 | S | 44.1 | Very low | 44.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -59 | 127.8 | 165.1 | -170.4 | 0 | 0 | 0 | 0 | 110.2 | D260 | D260-S262 PolarHBondContact O-N 3.46Š| ||
| 263 | G | 42.4 | Very low | 44.1 | Very low | 74 Ų | 74 | 145.3 Ų | 145.3 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | trans | -82.6 | 148.9 | -164.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | H261 | H261-G263 PolarHBondContact O-N 3.12Š| ||
| 264 | S | 34.5 | Very low | 44.2 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | trans | -144.6 | 171.6 | 159.7 | -163.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 265 | K | 43.3 | Very low | 44.4 | Very low | 184 Ų | 184 | 145.8 Ų | 145.8 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | -95.7 | 151.9 | -153.6 | -61.3 | 173.6 | -178.7 | 174.8 | 0 | 114.6 | ||||
| 266 | N | 44.1 | Very low | 44.4 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 57.1 | 94 | 151.3 | -61.3 | 4.9 | 0 | 0 | 0 | 119 | ||||
| 267 | S | 41.9 | Very low | 44.7 | Very low | 88 Ų | 88 | 142.9 Ų | 142.9 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | -151.7 | 139.2 | 129.6 | 59.5 | 0 | 0 | 0 | 0 | 112 | H269 | S267-H269 WeakPolarHBondContact CB-NE2 3.39Å; S267-H269 PolarHBondContact OG-CD2 3.08Å; S267-H269 PolarHBondContact OG-NE2 3.46Å | |||
| 268 | F | 48.1 | Very low | 44.9 | Very low | 217 Ų | 217 | 143 Ų | 143 | 95% | 0.952 | 77% | 0.769 | S | S | * | * | trans | -82.8 | 112.8 | 168.1 | -88.7 | -99.8 | 0 | 0 | 0 | 108.4 | ||||
| 269 | H | 41.8 | Very low | 45.4 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 70% | 0.704 | 77% | 0.769 | S | S | * | * | trans | -113.4 | 109.6 | 167.9 | -71.6 | -71.4 | 0 | 0 | 0 | 110.8 | S267 M271 | S267-H269 WeakPolarHBondContact CB-NE2 3.39Å; S267-H269 PolarHBondContact OG-CD2 3.08Å; S267-H269 PolarHBondContact OG-NE2 3.46Å; H269-M271 PolarHBondContact O-N 3.4Å | ||
| 270 | K | 38.8 | Very low | 45.9 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -52.6 | 115.2 | 167.8 | -178.5 | -162.8 | -178 | -155 | 0 | 109.1 | E272 | K270-E272 VanDerWaalsContact CE-OE2 3.31Å; K270-E272 WeakPolarHBondContact CE-OE2 3.5Å; K270-E272 IonicContact NZ-OE1 3.72Å; K270-E272 PolarHBondContact NZ-OE1 3.24Å; K270-E272 IonicContact NZ-OE2 2.69Å; K270-E272 PolarHBondContact NZ-OE2 3.44Å | ||
| 271 | M | 44.1 | Very low | 46.4 | Very low | 186 Ų | 186 | 147.7 Ų | 147.7 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -83.3 | 133.6 | 168 | -68.7 | -173.4 | 176.6 | 0 | 0 | 109.3 | H269 | H269-M271 PolarHBondContact O-N 3.4Š| ||
| 272 | E | 50.8 | Low | 46.2 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | -132.1 | 126.5 | -178.5 | -162 | 155.3 | -172.1 | 0 | 0 | 107.7 | K270 V274 | K270-E272 VanDerWaalsContact CE-OE2 3.31Å; K270-E272 WeakPolarHBondContact CE-OE2 3.5Å; K270-E272 IonicContact NZ-OE1 3.72Å; K270-E272 PolarHBondContact NZ-OE1 3.24Å; K270-E272 IonicContact NZ-OE2 2.69Å; K270-E272 PolarHBondContact NZ-OE2 3.44Å; E272-V274 PolarHBondContact O-N 3.42Å | ||
| 273 | P | 48.4 | Very low | 46.3 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -77.2 | 116.9 | -164.5 | 28.5 | -34.4 | 0 | 0 | 0 | 112.3 | V275 | P273-V275 PolarHBondContact O-N 3.38Š| ||
| 274 | V | 47.9 | Very low | 46.5 | Very low | 111 Ų | 111 | 156 Ų | 156 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 110.9 | 173.1 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | E272 Y276 | E272-V274 PolarHBondContact O-N 3.42Å; V274-Y276 HydrophobicContact CB-CE2 4.34Å; V274-Y276 HydrophobicContact CG1-CD2 3.99Å; V274-Y276 HydrophobicContact CG1-CE2 3.57Å | ||
| 275 | V | 53.6 | Low | 47.2 | Very low | 136 Ų | 136 | 157.6 Ų | 157.6 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 118 | 173.2 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | P273 | P273-V275 PolarHBondContact O-N 3.38Š|
| 276 | Y | 49.8 | Very low | 47.4 | Very low | 211 Ų | 211 | 156.1 Ų | 156.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 129.1 | 168.9 | -77.5 | -89 | 0 | 0 | 0 | 110.6 | V274 | V274-Y276 HydrophobicContact CB-CE2 4.34Å; V274-Y276 HydrophobicContact CG1-CD2 3.99Å; V274-Y276 HydrophobicContact CG1-CE2 3.57Å |
| 277 | A | 48.3 | Very low | 47.6 | Very low | 82 Ų | 82 | 156.1 Ų | 156.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 125.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I279 | A277-I279 PolarHBondContact O-N 3.1Å; A277-I279 VanDerWaalsContact O-N 3.13Å |
| 278 | D | 53.5 | Low | 48 | Very low | 122 Ų | 122 | 160.6 Ų | 160.6 | 65% | 0.652 | 80% | 0.796 | S | S | * | * | trans | -74.7 | 96.5 | 172.6 | -177.9 | 15.7 | 0 | 0 | 0 | 109.9 | R280 | D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 2.75Å; D278-R280 VanDerWaalsContact O-N 3.1Å; D278-R280 IonicContact OD2-NE 3.36Å; D278-R280 IonicContact OD2-NH2 2.75Å; D278-R280 PolarHBondContact OD2-NH2 2.97Å | ||
| 279 | I | 51.1 | Low | 48 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -83.9 | 75.6 | 171.7 | -52.5 | 179 | 0 | 0 | 0 | 108.6 | A277 K281 | A277-I279 PolarHBondContact O-N 3.1Å; A277-I279 VanDerWaalsContact O-N 3.13Å; I279-K281 PolarHBondContact O-N 3.05Å | ||
| 280 | R | 52.4 | Low | 48.4 | Very low | 208 Ų | 208 | 156.9 Ų | 156.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 94.6 | 171.5 | -167 | 176 | -55.9 | -167.8 | 5.1 | 110.5 | D278 | D278-R280 VanDerWaalsContact C-N 3.27Å; D278-R280 PolarHBondContact O-N 2.75Å; D278-R280 VanDerWaalsContact O-N 3.1Å; D278-R280 IonicContact OD2-NE 3.36Å; D278-R280 IonicContact OD2-NH2 2.75Å; D278-R280 PolarHBondContact OD2-NH2 2.97Å | ||
| 281 | K | 50.3 | Low | 49.2 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -91.1 | 145 | 172.4 | -171.2 | -179.6 | -179.3 | -177.8 | 0 | 110.3 | I279 | I279-K281 PolarHBondContact O-N 3.05Š| ||
| 282 | N | 40.7 | Very low | 49.7 | Very low | 227 Ų | 227 | 153.7 Ų | 153.7 | 100% | 1.214 | 79% | 0.787 | S | S | * | * | trans | 77.3 | 0 | 176.8 | -163.3 | 111.2 | 0 | 0 | 0 | 114.4 |
Retrieved 282 of 282 residues in 670.5 ms
(Link to these results)