| 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 | 43.2 | Very low | 49.1 | Very low | 244 Ų | 244 | 135.7 Ų | 135.7 | 100% | 1.202 | 77% | 0.767 | S | S | * | * | 0 | 102.9 | 0 | -68.4 | 177.1 | -167.9 | 0 | 0 | 107.6 | |||||
| 2 | C | 33.8 | Very low | 49.5 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 89% | 0.892 | 74% | 0.741 | S | S | * | * | trans | -139.9 | 101.5 | 165.5 | -87.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | S | 50.5 | Low | 49.9 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 85% | 0.846 | 73% | 0.733 | S | S | * | * | trans | -83.9 | 136.4 | 163.5 | -50.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 4 | P | 44.1 | Very low | 50.3 | Low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 72% | 0.723 | S | S | * | * | trans | -106.1 | 100.7 | 155.5 | 19.2 | -1.1 | 0 | 0 | 0 | 109 | ||||
| 5 | L | 40.3 | Very low | 50.7 | Low | 163 Ų | 163 | 124.5 Ų | 124.5 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | 21.5 | 101.5 | 141 | -62.6 | 163.4 | 0 | 0 | 0 | 116.6 | N7 | L5-N7 VanDerWaalsContact C-N 3.35Å; L5-N7 PolarHBondContact O-N 2.85Å | ||
| 6 | S | 54.5 | Low | 51.2 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | trans | -69.3 | 88 | 157.4 | 56.3 | 0 | 0 | 0 | 0 | 109.4 | S8 | S6-S8 PolarHBondContact O-N 2.97Š| ||
| 7 | N | 52.3 | Low | 51.7 | Low | 78 Ų | 78 | 124 Ų | 124 | 42% | 0.417 | 69% | 0.69 | S | S | . | * | trans | -90.1 | 93.5 | 177.2 | -152.5 | -4.2 | 0 | 0 | 0 | 110 | L5 S9 Q10 | L5-N7 VanDerWaalsContact C-N 3.35Å; L5-N7 PolarHBondContact O-N 2.85Å; N7-S9 PolarHBondContact O-N 2.91Å; N7-Q10 HydrophobicContact CB-CB 4.43Å; N7-Q10 HydrophobicContact CB-CG 4.28Å; N7-Q10 PolarHBondContact O-N 3.26Å; N7-Q10 VanDerWaalsContact O-N 3.16Å | ||
| 8 | S | 57.3 | Low | 52.1 | Low | 98 Ų | 98 | 123.4 Ų | 123.4 | 69% | 0.685 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56.3 | -26.2 | 174.7 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | S6 A12 | S6-S8 PolarHBondContact O-N 2.97Å; S8-A12 PolarHBondContact O-N 3.41Å |
| 9 | S | 55.1 | Low | 52.3 | Low | 69 Ų | 69 | 123.6 Ų | 123.6 | 48% | 0.483 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -68.7 | -35.3 | 177.8 | -152.8 | 0 | 0 | 0 | 0 | 113.1 | N7 A12 E13 | N7-S9 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 2.72Å; S9-E13 PolarHBondContact O-N 3.21Å |
| 10 | Q | 53.2 | Low | 52.6 | Low | 129 Ų | 129 | 120.5 Ų | 120.5 | 60% | 0.603 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -75.4 | -31.3 | 178.9 | -75.1 | 177.3 | -9.6 | 0 | 0 | 112.5 | N7 F14 | N7-Q10 HydrophobicContact CB-CB 4.43Å; N7-Q10 HydrophobicContact CB-CG 4.28Å; N7-Q10 PolarHBondContact O-N 3.26Å; N7-Q10 VanDerWaalsContact O-N 3.16Å; Q10-F14 WeakPolarHBondContact O-CB 3.39Å; Q10-F14 PolarHBondContact O-N 2.92Å; Q10-F14 VanDerWaalsContact O-N 3.14Å |
| 11 | R | 56 | Low | 53 | Low | 214 Ų | 214 | 117.5 Ų | 117.5 | 81% | 0.808 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.7 | -36.1 | 170.7 | -85.6 | -174.7 | 172.7 | -176.8 | -2.5 | 112.1 | A15 | R11-A15 WeakPolarHBondContact O-CB 3.28Å; R11-A15 PolarHBondContact O-N 2.82Å |
| 12 | A | 53.2 | Low | 53.6 | Low | 54 Ų | 54 | 111.8 Ų | 111.8 | 45% | 0.446 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -68.7 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S8 S9 A15 V16 | S8-A12 PolarHBondContact O-N 3.41Å; S9-A12 PolarHBondContact O-N 2.72Å; A12-A15 PolarHBondContact O-N 2.88Å; A12-V16 WeakPolarHBondContact O-CB 3.49Å; A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 2.69Å |
| 13 | E | 55.8 | Low | 54.6 | Low | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -41 | 174.9 | -89.7 | 176.3 | 150.3 | 0 | 0 | 112.9 | S9 V16 F17 | S9-E13 PolarHBondContact O-N 3.21Å; E13-V16 PolarHBondContact O-N 3.34Å; E13-F17 WeakPolarHBondContact O-CB 3.47Å; E13-F17 PolarHBondContact O-N 3.3Å |
| 14 | F | 55 | Low | 54.6 | Low | 135 Ų | 135 | 107.3 Ų | 107.3 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.6 | -40.7 | 177.2 | -160.1 | -90.9 | 0 | 0 | 0 | 112.2 | Q10 F17 E18 | Q10-F14 WeakPolarHBondContact O-CB 3.39Å; Q10-F14 PolarHBondContact O-N 2.92Å; Q10-F14 VanDerWaalsContact O-N 3.14Å; F14-F17 PolarHBondContact O-N 3.09Å; F14-E18 HydrophobicContact CD1-CG 4.48Å; F14-E18 HydrophobicContact CE1-CG 4.24Å; F14-E18 PolarHBondContact O-N 3.49Å |
| 15 | A | 56.6 | Low | 55 | Low | 48 Ų | 48 | 104.4 Ų | 104.4 | 40% | 0.397 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.4 | -35.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R11 A12 Q19 | R11-A15 WeakPolarHBondContact O-CB 3.28Å; R11-A15 PolarHBondContact O-N 2.82Å; A12-A15 PolarHBondContact O-N 2.88Å; A15-Q19 WeakPolarHBondContact O-CB 3.42Å; A15-Q19 PolarHBondContact O-N 2.8Å |
| 16 | V | 58.2 | Low | 55.4 | Low | 91 Ų | 91 | 104 Ų | 104 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.5 | -37.4 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | A12 E13 S20 | A12-V16 WeakPolarHBondContact O-CB 3.49Å; A12-V16 WeakPolarHBondContact O-CG2 3.5Å; A12-V16 PolarHBondContact O-N 2.69Å; E13-V16 PolarHBondContact O-N 3.34Å; V16-S20 VanDerWaalsContact O-CB 3.28Å; V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 2.81Å; V16-S20 PolarHBondContact O-OG 2.85Å |
| 17 | F | 59.4 | Low | 55.1 | Low | 149 Ų | 149 | 104.4 Ų | 104.4 | 65% | 0.654 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.5 | -42.8 | 174.9 | -170.2 | -96 | 0 | 0 | 0 | 112.4 | E13 F14 S20 S21 | E13-F17 WeakPolarHBondContact O-CB 3.47Å; E13-F17 PolarHBondContact O-N 3.3Å; F14-F17 PolarHBondContact O-N 3.09Å; F17-S20 VanDerWaalsContact CA-OG 3.32Å; F17-S20 WeakPolarHBondContact CA-OG 3.2Å; F17-S20 PolarHBondContact O-N 2.88Å; F17-S20 PolarHBondContact O-OG 3.01Å; F17-S20 VanDerWaalsContact O-OG 3.11Å; F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.22Å; F17-S21 PolarHBondContact O-OG 2.94Å |
| 18 | E | 58.6 | Low | 54.9 | Low | 113 Ų | 113 | 111.1 Ų | 111.1 | 53% | 0.528 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.2 | -47.4 | 172.9 | -87.2 | -175.3 | 157.1 | 0 | 0 | 111.8 | F14 S20 S21 E22 | F14-E18 HydrophobicContact CD1-CG 4.48Å; F14-E18 HydrophobicContact CE1-CG 4.24Å; F14-E18 PolarHBondContact O-N 3.49Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 2.94Å; E18-S21 PolarHBondContact O-N 2.87Å; E18-S21 PolarHBondContact O-OG 2.88Å; E18-E22 PolarHBondContact O-N 2.93Å |
| 19 | Q | 56.9 | Low | 54.8 | Low | 127 Ų | 127 | 109.2 Ų | 109.2 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.1 | -37.9 | 176.3 | -88.5 | -174.3 | -19.7 | 0 | 0 | 113.1 | A15 E22 L23 | A15-Q19 WeakPolarHBondContact O-CB 3.42Å; A15-Q19 PolarHBondContact O-N 2.8Å; Q19-E22 PolarHBondContact O-N 2.93Å; Q19-L23 WeakPolarHBondContact O-CB 3.39Å; Q19-L23 WeakPolarHBondContact O-CD1 3.5Å; Q19-L23 PolarHBondContact O-N 3.44Å |
| 20 | S | 58.2 | Low | 55.5 | Low | 61 Ų | 61 | 109.7 Ų | 109.7 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.1 | -29.5 | 176.6 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | V16 F17 E18 A24 | V16-S20 VanDerWaalsContact O-CB 3.28Å; V16-S20 WeakPolarHBondContact O-CB 3.35Å; V16-S20 PolarHBondContact O-N 2.81Å; V16-S20 PolarHBondContact O-OG 2.85Å; F17-S20 VanDerWaalsContact CA-OG 3.32Å; F17-S20 WeakPolarHBondContact CA-OG 3.2Å; F17-S20 PolarHBondContact O-N 2.88Å; F17-S20 PolarHBondContact O-OG 3.01Å; F17-S20 VanDerWaalsContact O-OG 3.11Å; E18-S20 VanDerWaalsContact C-N 3.33Å; E18-S20 PolarHBondContact O-N 2.94Å; S20-A24 WeakPolarHBondContact O-CB 2.86Å; S20-A24 PolarHBondContact O-N 3.12Å |
| 21 | S | 60.8 | Low | 57.2 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 41% | 0.413 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -71.2 | -36.9 | 169.9 | 79.5 | 0 | 0 | 0 | 0 | 112.8 | F17 E18 A24 A25 | F17-S21 WeakPolarHBondContact O-CB 3.32Å; F17-S21 PolarHBondContact O-N 3.22Å; F17-S21 PolarHBondContact O-OG 2.94Å; E18-S21 PolarHBondContact O-N 2.87Å; E18-S21 PolarHBondContact O-OG 2.88Å; S21-A24 PolarHBondContact O-N 3.41Å; S21-A25 VanDerWaalsContact O-CB 3.23Å; S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.44Å |
| 22 | E | 56.7 | Low | 59 | Low | 123 Ų | 123 | 97.6 Ų | 97.6 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.8 | -38.7 | 172.6 | -87 | -172.1 | 148.9 | 0 | 0 | 112.1 | E18 Q19 K26 | E18-E22 PolarHBondContact O-N 2.93Å; Q19-E22 PolarHBondContact O-N 2.93Å; E22-K26 VanDerWaalsContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CG 3.48Å; E22-K26 PolarHBondContact O-N 3.29Å |
| 23 | L | 53.2 | Low | 61.1 | Low | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.8 | -37.4 | 171.9 | -106.4 | 88.3 | 0 | 0 | 0 | 111.8 | Q19 N27 | Q19-L23 WeakPolarHBondContact O-CB 3.39Å; Q19-L23 WeakPolarHBondContact O-CD1 3.5Å; Q19-L23 PolarHBondContact O-N 3.44Å; L23-N27 WeakPolarHBondContact O-CB 3.37Å; L23-N27 VanDerWaalsContact O-CG 3.32Å; L23-N27 PolarHBondContact O-N 2.72Å; L23-N27 PolarHBondContact O-ND2 3.02Å |
| 24 | A | 51.6 | Low | 63 | Low | 51 Ų | 51 | 91.2 Ų | 91.2 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S20 S21 N27 Y28 | S20-A24 WeakPolarHBondContact O-CB 2.86Å; S20-A24 PolarHBondContact O-N 3.12Å; S21-A24 PolarHBondContact O-N 3.41Å; A24-N27 PolarHBondContact O-N 3.21Å; A24-Y28 PolarHBondContact O-N 2.83Å; A24-Y28 VanDerWaalsContact O-N 3.15Å |
| 25 | A | 51.6 | Low | 65 | Low | 61 Ų | 61 | 84.8 Ų | 84.8 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S21 N27 Y28 A29 | S21-A25 VanDerWaalsContact O-CB 3.23Å; S21-A25 WeakPolarHBondContact O-CB 3.44Å; S21-A25 PolarHBondContact O-N 3.44Å; A25-N27 VanDerWaalsContact C-N 3.32Å; A25-N27 PolarHBondContact O-N 3.47Å; A25-Y28 PolarHBondContact O-N 3.23Å; A25-A29 PolarHBondContact O-N 3.17Å |
| 26 | K | 48.5 | Very low | 67 | Low | 155 Ų | 155 | 86.6 Ų | 86.6 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63 | -35.7 | 171.6 | -84.3 | 176.7 | 175.2 | 172 | 0 | 112.7 | E22 Y28 | E22-K26 VanDerWaalsContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.24Å; E22-K26 WeakPolarHBondContact O-CG 3.48Å; E22-K26 PolarHBondContact O-N 3.29Å; K26-Y28 VanDerWaalsContact C-N 3.32Å; K26-Y28 PolarHBondContact O-N 3.27Å |
| 27 | N | 48.6 | Very low | 68.6 | Low | 130 Ų | 130 | 83.3 Ų | 83.3 | 70% | 0.695 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -76.6 | -15.5 | 177.1 | -77.9 | -20.3 | 0 | 0 | 0 | 114.1 | L23 A24 A25 | L23-N27 WeakPolarHBondContact O-CB 3.37Å; L23-N27 VanDerWaalsContact O-CG 3.32Å; L23-N27 PolarHBondContact O-N 2.72Å; L23-N27 PolarHBondContact O-ND2 3.02Å; A24-N27 PolarHBondContact O-N 3.21Å; A25-N27 VanDerWaalsContact C-N 3.32Å; A25-N27 PolarHBondContact O-N 3.47Å |
| 28 | Y | 49.5 | Very low | 70 | Confident | 220 Ų | 220 | 82.8 Ų | 82.8 | 86% | 0.863 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -95.7 | -7.9 | 174.7 | -101.5 | -92.4 | 0 | 0 | 0 | 114 | A24 A25 K26 | A24-Y28 PolarHBondContact O-N 2.83Å; A24-Y28 VanDerWaalsContact O-N 3.15Å; A25-Y28 PolarHBondContact O-N 3.23Å; K26-Y28 VanDerWaalsContact C-N 3.32Å; K26-Y28 PolarHBondContact O-N 3.27Å |
| 29 | A | 55 | Low | 71.4 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 48% | 0.479 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -91.4 | -20.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A25 M31 | A25-A29 PolarHBondContact O-N 3.17Å; A29-M31 PolarHBondContact O-N 3.04Å |
| 30 | N | 69.4 | Low | 72.9 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 42% | 0.417 | 44% | 0.436 | S | S | . | . | trans | -96.5 | 88.6 | -174.5 | -78 | 5.3 | 0 | 0 | 0 | 111.8 | Q32 E46 | N30-Q32 PolarHBondContact O-N 2.9Å; N30-E46 PolarHBondContact ND2-OE1 3.2Å; N30-E46 PolarHBondContact ND2-OE2 2.9Å; N30-E46 VanDerWaalsContact ND2-OE2 3.14Å | ||
| 31 | M | 88.7 | Confident | 74.6 | Confident | 22 Ų | 22 | 81.4 Ų | 81.4 | 11% | 0.108 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 121 | 160.8 | 170 | -179.3 | 162.6 | 0 | 0 | 107.8 | A29 I33 V47 P49 L86 I91 K93 | A29-M31 PolarHBondContact O-N 3.04Å; M31-I33 HydrophobicContact CE-CG2 3.74Å; M31-V47 WeakPolarHBondContact CB-O 3.22Å; M31-V47 HydrophobicContact CE-CG2 4.14Å; M31-V47 HydrophobicContact CG-CG2 4.01Å; M31-V47 WeakPolarHBondContact O-CG2 3.46Å; M31-V47 PolarHBondContact O-N 3.42Å; M31-V47 HydrophobicContact SD-CG2 4.4Å; M31-P49 HydrophobicContact SD-CB 4.4Å; M31-P49 HydrophobicContact SD-CG 3.7Å; M31-L86 HydrophobicContact CE-CD1 4.19Å; M31-I91 HydrophobicContact CE-CG2 4.11Å; M31-I91 WeakPolarHBondContact CE-O 3.43Å; M31-K93 HydrophobicContact CG-CB 4.12Å |
| 32 | Q | 93.6 | Very high | 76.2 | Confident | 67 Ų | 67 | 82.2 Ų | 82.2 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 139.7 | 176.1 | -71.8 | -179.6 | -12.2 | 0 | 0 | 109.3 | N30 T44 L45 E46 K93 E94 | N30-Q32 PolarHBondContact O-N 2.9Å; Q32-T44 HydrophobicContact CB-CG2 4.43Å; Q32-L45 VanDerWaalsContact CA-O 3.29Å; Q32-L45 WeakPolarHBondContact CA-O 3.44Å; Q32-E46 HydrophobicContact CG-CG 4.26Å; Q32-E46 PolarHBondContact NE2-OE1 3.13Å; Q32-K93 CarbonylContact O-C 3.6Å; Q32-E94 PolarHBondContact O-N 2.84Å |
| 33 | I | 96.6 | Very high | 78 | Confident | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 159.7 | 171.4 | 63.4 | 171.5 | 0 | 0 | 0 | 109.7 | M31 L45 V47 V56 L86 I91 L97 | M31-I33 HydrophobicContact CE-CG2 3.74Å; I33-L45 HydrophobicContact CG1-CB 4Å; I33-L45 PolarHBondContact N-O 3.36Å; I33-L45 PolarHBondContact O-N 2.96Å; I33-V47 HydrophobicContact CB-CG2 4.31Å; I33-V47 HydrophobicContact CD1-CG1 3.89Å; I33-V47 HydrophobicContact CD1-CG2 4Å; I33-V47 HydrophobicContact CG1-CG1 3.99Å; I33-V47 HydrophobicContact CG1-CG2 3.8Å; I33-V47 HydrophobicContact CG2-CG2 3.74Å; I33-V56 HydrophobicContact CD1-CG1 4.24Å; I33-L86 HydrophobicContact CD1-CD1 4.22Å; I33-L86 HydrophobicContact CD1-CD2 4.4Å; I33-I91 HydrophobicContact CG2-CG2 4.04Å; I33-L97 HydrophobicContact CD1-CD1 4.28Å; I33-L97 HydrophobicContact CD1-CD2 4.34Å |
| 34 | F | 97.3 | Very high | 80.1 | Confident | 59 Ų | 59 | 74.1 Ų | 74.1 | 26% | 0.259 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.1 | 177.4 | -56.8 | -72.4 | 0 | 0 | 0 | 110 | T42 I43 T44 E94 S95 T96 L97 | F34-T42 HydrophobicContact CB-CG2 3.96Å; F34-T42 HydrophobicContact CD1-CG2 4.04Å; F34-T42 HydrophobicContact CG-CG2 4.35Å; F34-I43 CarbonylContact C-O 3.5Å; F34-I43 WeakPolarHBondContact CA-O 3.47Å; F34-T44 HydrophobicContact CD1-CG2 4.4Å; F34-T44 HydrophobicContact CE1-CG2 4.14Å; F34-E94 HydrophobicContact CE2-CB 3.87Å; F34-E94 HydrophobicContact CE2-CG 3.91Å; F34-E94 HydrophobicContact CZ-CG 4.43Å; F34-S95 PolarHBondContact N-O 2.89Å; F34-T96 HydrophobicContact CB-CG2 4.42Å; F34-T96 CarbonylContact O-C 3.58Å; F34-T96 WeakPolarHBondContact O-CA 3.38Å; F34-L97 PolarHBondContact O-N 3.36Å |
| 35 | V | 97.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 113.4 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | I43 L45 I60 L73 L97 L99 | V35-I43 HydrophobicContact CB-CB 4.34Å; V35-I43 PolarHBondContact N-O 3.31Å; V35-I43 PolarHBondContact O-N 3.2Å; V35-L45 HydrophobicContact CG2-CD1 3.56Å; V35-L45 HydrophobicContact CG2-CG 4.23Å; V35-I60 HydrophobicContact CG1-CD1 4.11Å; V35-I60 HydrophobicContact CG2-CD1 4.18Å; V35-L73 HydrophobicContact CG1-CD2 4.14Å; V35-L97 CarbonylContact C-O 3.6Å; V35-L97 WeakPolarHBondContact CA-O 3.23Å; V35-L97 HydrophobicContact CG2-CB 4.37Å; V35-L99 HydrophobicContact CG1-CB 3.56Å; V35-L99 HydrophobicContact CG1-CD2 4.36Å |
| 36 | K | 96.7 | Very high | 84.1 | Confident | 86 Ų | 86 | 73.2 Ų | 73.2 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.3 | -179.8 | -165.3 | 174.5 | -176.9 | 176.5 | 0 | 110.4 | K41 T96 L97 H98 L99 | K36-K41 WeakPolarHBondContact CA-O 3.1Å; K36-T96 HydrophobicContact CB-CG2 4.12Å; K36-L97 PolarHBondContact N-O 2.75Å; K36-H98 WeakPolarHBondContact O-CA 3.3Å; K36-L99 PolarHBondContact O-N 3.18Å |
| 37 | T | 93.2 | Very high | 86.3 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 14% | 0.135 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 162.1 | 173.6 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | T39 G40 K41 I43 L99 | T37-T39 PolarHBondContact O-N 3.5Å; T37-T39 PolarHBondContact OG1-N 3.28Å; T37-T39 PolarHBondContact OG1-OG1 2.88Å; T37-G40 PolarHBondContact O-N 2.93Å; T37-G40 PolarHBondContact OG1-N 2.93Å; T37-K41 HydrophobicContact CG2-CB 4.31Å; T37-K41 PolarHBondContact N-O 2.69Å; T37-K41 WeakPolarHBondContact OG1-CB 3.32Å; T37-K41 PolarHBondContact OG1-N 2.79Å; T37-K41 VanDerWaalsContact OG1-N 3.17Å; T37-K41 PolarHBondContact OG1-O 3.34Å; T37-I43 HydrophobicContact CG2-CD1 4.05Å; T37-L99 HydrophobicContact CG2-CD2 4.4Å |
| 38 | L | 88.4 | Confident | 88.4 | Confident | 137 Ų | 137 | 65.2 Ų | 65.2 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.1 | 172.1 | -67.2 | 177.4 | 0 | 0 | 0 | 113.5 | G40 V100 | L38-G40 PolarHBondContact O-N 2.92Å; L38-V100 HydrophobicContact CD1-CG1 4.22Å; L38-V100 HydrophobicContact CD1-CG2 4.29Å; L38-V100 HydrophobicContact CD2-CG2 4.22Å; L38-V100 HydrophobicContact CG-CG2 4.32Å |
| 39 | T | 87.8 | Confident | 90.5 | Very high | 129 Ų | 129 | 57.9 Ų | 57.9 | 79% | 0.791 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.8 | 175.8 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | T37 | T37-T39 PolarHBondContact O-N 3.5Å; T37-T39 PolarHBondContact OG1-N 3.28Å; T37-T39 PolarHBondContact OG1-OG1 2.88Å |
| 40 | G | 88.2 | Confident | 92.4 | Very high | 41 Ų | 41 | 58.5 Ų | 58.5 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 90.1 | -3.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T37 L38 | T37-G40 PolarHBondContact O-N 2.93Å; T37-G40 PolarHBondContact OG1-N 2.93Å; L38-G40 PolarHBondContact O-N 2.92Å |
| 41 | K | 93.8 | Very high | 93.6 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | trans | -64 | 136.7 | 172.1 | -175.6 | 179.3 | 175.3 | -175.2 | 0 | 109.4 | K36 T37 E64 | K36-K41 WeakPolarHBondContact CA-O 3.1Å; T37-K41 HydrophobicContact CG2-CB 4.31Å; T37-K41 PolarHBondContact N-O 2.69Å; T37-K41 WeakPolarHBondContact OG1-CB 3.32Å; T37-K41 PolarHBondContact OG1-N 2.79Å; T37-K41 VanDerWaalsContact OG1-N 3.17Å; T37-K41 PolarHBondContact OG1-O 3.34Å; K41-E64 VanDerWaalsContact CE-OE1 3.3Å; K41-E64 WeakPolarHBondContact CE-OE1 3.43Å; K41-E64 IonicContact NZ-OE1 2.81Å; K41-E64 PolarHBondContact NZ-OE1 2.9Å; K41-E64 IonicContact NZ-OE2 2.94Å; K41-E64 PolarHBondContact NZ-OE2 3.25Å | ||
| 42 | T | 94.9 | Very high | 94 | Very high | 76 Ų | 76 | 56.4 Ų | 56.4 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.2 | 176.8 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | F34 | F34-T42 HydrophobicContact CB-CG2 3.96Å; F34-T42 HydrophobicContact CD1-CG2 4.04Å; F34-T42 HydrophobicContact CG-CG2 4.35Å |
| 43 | I | 94.9 | Very high | 94.2 | Very high | 7 Ų | 7 | 53.2 Ų | 53.2 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.6 | 179.5 | -55.4 | 149.8 | 0 | 0 | 0 | 107.4 | F34 V35 T37 L45 K63 E64 | F34-I43 CarbonylContact C-O 3.5Å; F34-I43 WeakPolarHBondContact CA-O 3.47Å; V35-I43 HydrophobicContact CB-CB 4.34Å; V35-I43 PolarHBondContact N-O 3.31Å; V35-I43 PolarHBondContact O-N 3.2Å; T37-I43 HydrophobicContact CG2-CD1 4.05Å; I43-L45 HydrophobicContact CG2-CD2 4.01Å; I43-L45 HydrophobicContact CG2-CG 4.42Å; I43-K63 HydrophobicContact CG2-CD 4.2Å; I43-E64 HydrophobicContact CD1-CG 3.57Å; I43-E64 HydrophobicContact CG1-CG 4.01Å; I43-E64 HydrophobicContact CG2-CG 4.48Å |
| 44 | T | 95.8 | Very high | 94 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.2 | 174.9 | -53.8 | 0 | 0 | 0 | 0 | 109.4 | Q32 F34 K63 | Q32-T44 HydrophobicContact CB-CG2 4.43Å; F34-T44 HydrophobicContact CD1-CG2 4.4Å; F34-T44 HydrophobicContact CE1-CG2 4.14Å; T44-K63 PolarHBondContact O-NZ 3.27Å |
| 45 | L | 94.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139.7 | 176.7 | -60.4 | 177.5 | 0 | 0 | 0 | 110.5 | Q32 I33 V35 I43 V47 V56 K59 I60 K63 | Q32-L45 VanDerWaalsContact CA-O 3.29Å; Q32-L45 WeakPolarHBondContact CA-O 3.44Å; I33-L45 HydrophobicContact CG1-CB 4Å; I33-L45 PolarHBondContact N-O 3.36Å; I33-L45 PolarHBondContact O-N 2.96Å; V35-L45 HydrophobicContact CG2-CD1 3.56Å; V35-L45 HydrophobicContact CG2-CG 4.23Å; I43-L45 HydrophobicContact CG2-CD2 4.01Å; I43-L45 HydrophobicContact CG2-CG 4.42Å; L45-V47 HydrophobicContact CB-CG1 4.02Å; L45-V56 HydrophobicContact CD1-CG1 3.96Å; L45-K59 HydrophobicContact CD2-CB 4.3Å; L45-I60 HydrophobicContact CD1-CD1 4.13Å; L45-I60 HydrophobicContact CD1-CG1 3.57Å; L45-I60 HydrophobicContact CD2-CG1 4.44Å; L45-K63 HydrophobicContact CD2-CD 3.81Å; L45-K63 HydrophobicContact CD2-CG 4.47Å |
| 46 | E | 93.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122 | 167.9 | -56.5 | -163.8 | 139 | 0 | 0 | 108.5 | N30 Q32 K59 | N30-E46 PolarHBondContact ND2-OE1 3.2Å; N30-E46 PolarHBondContact ND2-OE2 2.9Å; N30-E46 VanDerWaalsContact ND2-OE2 3.14Å; Q32-E46 HydrophobicContact CG-CG 4.26Å; Q32-E46 PolarHBondContact NE2-OE1 3.13Å; E46-K59 PolarHBondContact O-NZ 2.64Å |
| 47 | V | 93.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.03 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164.1 | -170.5 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | M31 I33 L45 D51 V56 K59 L86 | M31-V47 WeakPolarHBondContact CB-O 3.22Å; M31-V47 HydrophobicContact CE-CG2 4.14Å; M31-V47 HydrophobicContact CG-CG2 4.01Å; M31-V47 WeakPolarHBondContact O-CG2 3.46Å; M31-V47 PolarHBondContact O-N 3.42Å; M31-V47 HydrophobicContact SD-CG2 4.4Å; I33-V47 HydrophobicContact CB-CG2 4.31Å; I33-V47 HydrophobicContact CD1-CG1 3.89Å; I33-V47 HydrophobicContact CD1-CG2 4Å; I33-V47 HydrophobicContact CG1-CG1 3.99Å; I33-V47 HydrophobicContact CG1-CG2 3.8Å; I33-V47 HydrophobicContact CG2-CG2 3.74Å; L45-V47 HydrophobicContact CB-CG1 4.02Å; V47-D51 VanDerWaalsContact CA-OD2 3.25Å; V47-D51 WeakPolarHBondContact CA-OD2 3.27Å; V47-D51 WeakPolarHBondContact CB-OD2 3.1Å; V47-V56 HydrophobicContact CG1-CG2 4.25Å; V47-K59 HydrophobicContact CG1-CD 4.11Å; V47-L86 HydrophobicContact CB-CD1 3.67Å; V47-L86 HydrophobicContact CG1-CD1 4.18Å; V47-L86 HydrophobicContact CG2-CD1 3.52Å |
| 48 | E | 93.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 56.3 Ų | 56.3 | 52% | 0.523 | 32% | 0.32 | S | S | . | . | trans | -111 | 151.4 | 167.8 | -64.5 | -177.2 | -179.9 | 0 | 0 | 110.3 | S50 D51 | E48-S50 WeakPolarHBondContact CB-OG 3.41Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 VanDerWaalsContact O-N 3.08Å; E48-S50 PolarHBondContact OE2-OG 2.8Å; E48-D51 PolarHBondContact N-OD2 2.87Å; E48-D51 VanDerWaalsContact O-CB 3.31Å; E48-D51 WeakPolarHBondContact O-CB 3.26Å; E48-D51 PolarHBondContact O-N 2.76Å | ||
| 49 | P | 92.6 | Very high | 94 | Very high | 65 Ų | 65 | 53 Ų | 53 | 42% | 0.422 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.7 | 174.1 | -23.2 | 31.4 | 0 | 0 | 0 | 113.6 | M31 S87 | M31-P49 HydrophobicContact SD-CB 4.4Å; M31-P49 HydrophobicContact SD-CG 3.7Å; P49-S87 VanDerWaalsContact O-CB 3.29Å; P49-S87 WeakPolarHBondContact O-CB 3.13Å; P49-S87 PolarHBondContact O-N 3.17Å; P49-S87 PolarHBondContact O-OG 3.42Å |
| 50 | S | 94.4 | Very high | 94.3 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -13.4 | 175.9 | 33.8 | 0 | 0 | 0 | 0 | 114.4 | E48 T52 T85 | E48-S50 WeakPolarHBondContact CB-OG 3.41Å; E48-S50 PolarHBondContact O-N 2.87Å; E48-S50 VanDerWaalsContact O-N 3.08Å; E48-S50 PolarHBondContact OE2-OG 2.8Å; S50-T52 PolarHBondContact O-N 3.24Å; S50-T85 WeakPolarHBondContact O-CG2 3.46Å |
| 51 | D | 95.2 | Very high | 94.3 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | trans | -61.5 | 132.1 | 179.3 | -81.7 | -27.9 | 0 | 0 | 0 | 110.3 | V47 E48 N55 V56 K59 T85 L86 | V47-D51 VanDerWaalsContact CA-OD2 3.25Å; V47-D51 WeakPolarHBondContact CA-OD2 3.27Å; V47-D51 WeakPolarHBondContact CB-OD2 3.1Å; E48-D51 PolarHBondContact N-OD2 2.87Å; E48-D51 VanDerWaalsContact O-CB 3.31Å; E48-D51 WeakPolarHBondContact O-CB 3.26Å; E48-D51 PolarHBondContact O-N 2.76Å; D51-N55 HydrophobicContact CB-CB 4.47Å; D51-V56 HydrophobicContact CB-CG2 4.22Å; D51-K59 WeakPolarHBondContact OD2-CE 3.2Å; D51-K59 IonicContact OD2-NZ 3.48Å; D51-T85 CarbonylContact O-C 3.59Å; D51-T85 WeakPolarHBondContact O-CA 3.25Å; D51-L86 HydrophobicContact CB-CD1 4.29Å; D51-L86 PolarHBondContact O-N 2.83Å | ||
| 52 | T | 97.4 | Very high | 94 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 157.2 | 170.6 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | S50 E54 N55 V56 R84 T85 | S50-T52 PolarHBondContact O-N 3.24Å; T52-E54 PolarHBondContact O-N 2.99Å; T52-N55 WeakPolarHBondContact O-CB 3.04Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-N 3.1Å; T52-N55 PolarHBondContact OG1-N 3.43Å; T52-N55 VanDerWaalsContact OG1-N 3.11Å; T52-N55 PolarHBondContact OG1-OD1 2.82Å; T52-V56 WeakPolarHBondContact O-CG2 3.24Å; T52-V56 PolarHBondContact O-N 3.29Å; T52-R84 CarbonylContact C-O 3.6Å; T52-R84 VanDerWaalsContact CA-O 3.26Å; T52-R84 WeakPolarHBondContact CA-O 3.26Å; T52-T85 HydrophobicContact CG2-CG2 4.5Å |
| 53 | I | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.2 | -33.4 | 173.4 | -62 | -56.3 | 0 | 0 | 0 | 111 | V56 K57 L73 L80 E81 D82 R84 L86 Y89 | I53-V56 PolarHBondContact O-N 2.88Å; I53-K57 WeakPolarHBondContact O-CG 3.42Å; I53-K57 PolarHBondContact O-N 3.17Å; I53-L73 HydrophobicContact CG2-CD1 4.26Å; I53-L80 HydrophobicContact CD1-CB 3.89Å; I53-L80 HydrophobicContact CD1-CD1 3.59Å; I53-L80 HydrophobicContact CD1-CG 4.27Å; I53-L80 HydrophobicContact CG1-CB 3.9Å; I53-L80 HydrophobicContact CG2-CB 3.88Å; I53-E81 VanDerWaalsContact CB-O 3.29Å; I53-E81 WeakPolarHBondContact CB-O 3.48Å; I53-E81 VanDerWaalsContact CG1-O 3.28Å; I53-E81 WeakPolarHBondContact CG1-O 3.32Å; I53-D82 PolarHBondContact N-O 2.93Å; I53-R84 WeakPolarHBondContact CG1-O 3.19Å; I53-R84 PolarHBondContact N-O 3.2Å; I53-L86 HydrophobicContact CD1-CD2 3.92Å; I53-Y89 HydrophobicContact CD1-CD2 4.31Å; I53-Y89 HydrophobicContact CD1-CE2 4.42Å; I53-Y89 HydrophobicContact CG1-CD2 4.41Å; I53-Y89 HydrophobicContact CG1-CE2 4.07Å |
| 54 | E | 94.1 | Very high | 93.5 | Very high | 117 Ų | 117 | 53 Ų | 53 | 55% | 0.547 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 170.5 | -171.5 | 173.1 | -161.8 | 0 | 0 | 112.3 | T52 V56 K57 A58 D82 | T52-E54 PolarHBondContact O-N 2.99Å; E54-V56 VanDerWaalsContact C-N 3.31Å; E54-V56 PolarHBondContact O-N 3.32Å; E54-K57 WeakPolarHBondContact O-CB 3.43Å; E54-K57 PolarHBondContact O-N 3.36Å; E54-K57 VanDerWaalsContact O-N 3.11Å; E54-A58 PolarHBondContact O-N 3.4Å; E54-D82 HydrophobicContact CB-CB 4.28Å; E54-D82 PolarHBondContact N-O 3.24Å; E54-D82 VanDerWaalsContact N-O 3.15Å |
| 55 | N | 94.5 | Very high | 93 | Very high | 76 Ų | 76 | 53.1 Ų | 53.1 | 41% | 0.406 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 176.6 | -70.1 | -4.3 | 0 | 0 | 0 | 111.9 | D51 T52 K57 A58 K59 | D51-N55 HydrophobicContact CB-CB 4.47Å; T52-N55 WeakPolarHBondContact O-CB 3.04Å; T52-N55 PolarHBondContact O-N 2.98Å; T52-N55 VanDerWaalsContact O-N 3.1Å; T52-N55 PolarHBondContact OG1-N 3.43Å; T52-N55 VanDerWaalsContact OG1-N 3.11Å; T52-N55 PolarHBondContact OG1-OD1 2.82Å; N55-K57 VanDerWaalsContact C-N 3.3Å; N55-K57 PolarHBondContact O-N 2.9Å; N55-A58 PolarHBondContact O-N 3.19Å; N55-K59 WeakPolarHBondContact O-CG 3.42Å; N55-K59 PolarHBondContact O-N 2.77Å |
| 56 | V | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63 | -39.7 | 175.8 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | I33 L45 V47 D51 T52 I53 E54 K59 I60 L73 L86 | I33-V56 HydrophobicContact CD1-CG1 4.24Å; L45-V56 HydrophobicContact CD1-CG1 3.96Å; V47-V56 HydrophobicContact CG1-CG2 4.25Å; D51-V56 HydrophobicContact CB-CG2 4.22Å; T52-V56 WeakPolarHBondContact O-CG2 3.24Å; T52-V56 PolarHBondContact O-N 3.29Å; I53-V56 PolarHBondContact O-N 2.88Å; E54-V56 VanDerWaalsContact C-N 3.31Å; E54-V56 PolarHBondContact O-N 3.32Å; V56-K59 PolarHBondContact O-N 2.85Å; V56-I60 HydrophobicContact CG1-CD1 4.33Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 2.7Å; V56-L73 HydrophobicContact CB-CD1 4.41Å; V56-L73 HydrophobicContact CG1-CD1 3.83Å; V56-L86 HydrophobicContact CG2-CD1 3.98Å; V56-L86 HydrophobicContact CG2-CD2 4.01Å; V56-L86 HydrophobicContact CG2-CG 4.05Å |
| 57 | K | 94.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | 175.2 | -70.4 | 172 | 172.7 | -171.1 | 0 | 112.5 | I53 E54 N55 K59 I60 Q61 P68 Q71 L73 D82 | I53-K57 WeakPolarHBondContact O-CG 3.42Å; I53-K57 PolarHBondContact O-N 3.17Å; E54-K57 WeakPolarHBondContact O-CB 3.43Å; E54-K57 PolarHBondContact O-N 3.36Å; E54-K57 VanDerWaalsContact O-N 3.11Å; N55-K57 VanDerWaalsContact C-N 3.3Å; N55-K57 PolarHBondContact O-N 2.9Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 2.81Å; K57-I60 WeakPolarHBondContact O-CB 3.41Å; K57-I60 PolarHBondContact O-N 2.95Å; K57-I60 VanDerWaalsContact O-N 3.12Å; K57-Q61 PolarHBondContact O-N 3.13Å; K57-P68 HydrophobicContact CB-CB 3.82Å; K57-P68 HydrophobicContact CB-CG 4.31Å; K57-P68 HydrophobicContact CD-CB 4.16Å; K57-P68 WeakPolarHBondContact CD-O 3.42Å; K57-P68 PolarHBondContact NZ-O 3.37Å; K57-Q71 HydrophobicContact CD-CB 4.28Å; K57-Q71 WeakPolarHBondContact CE-O 3.38Å; K57-Q71 HydrophobicContact CG-CB 4.01Å; K57-Q71 PolarHBondContact NZ-O 2.75Å; K57-Q71 PolarHBondContact O-NE2 3.18Å; K57-Q71 PolarHBondContact O-OE1 3.1Å; K57-L73 HydrophobicContact CG-CD1 3.98Å; K57-L73 HydrophobicContact CG-CG 4.46Å; K57-D82 VanDerWaalsContact CE-OD1 3.28Å; K57-D82 WeakPolarHBondContact CE-OD1 3.3Å; K57-D82 IonicContact NZ-OD1 3.24Å; K57-D82 PolarHBondContact NZ-OD1 2.99Å; K57-D82 IonicContact NZ-OD2 3.28Å; K57-D82 PolarHBondContact NZ-OD2 2.83Å |
| 58 | A | 91.6 | Very high | 92 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111 | E54 N55 I60 Q61 D62 | E54-A58 PolarHBondContact O-N 3.4Å; N55-A58 PolarHBondContact O-N 3.19Å; A58-I60 VanDerWaalsContact C-N 3.25Å; A58-I60 PolarHBondContact O-N 2.86Å; A58-Q61 WeakPolarHBondContact O-CA 3.4Å; A58-Q61 VanDerWaalsContact O-CB 3.29Å; A58-Q61 WeakPolarHBondContact O-CB 3.37Å; A58-Q61 PolarHBondContact O-N 2.72Å; A58-D62 PolarHBondContact O-N 2.98Å |
| 59 | K | 94.6 | Very high | 91.5 | Very high | 69 Ų | 69 | 47.8 Ų | 47.8 | 30% | 0.3 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -32.7 | 174.3 | -69.4 | 168.6 | -176.5 | -93.6 | 0 | 113.2 | L45 E46 V47 D51 N55 V56 K57 K63 | L45-K59 HydrophobicContact CD2-CB 4.3Å; E46-K59 PolarHBondContact O-NZ 2.64Å; V47-K59 HydrophobicContact CG1-CD 4.11Å; D51-K59 WeakPolarHBondContact OD2-CE 3.2Å; D51-K59 IonicContact OD2-NZ 3.48Å; N55-K59 WeakPolarHBondContact O-CG 3.42Å; N55-K59 PolarHBondContact O-N 2.77Å; V56-K59 PolarHBondContact O-N 2.85Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-K59 PolarHBondContact O-N 2.81Å; K59-K63 PolarHBondContact O-N 2.76Å |
| 60 | I | 94.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.2 | -41 | 173.5 | -67.2 | 164 | 0 | 0 | 0 | 110.5 | V35 L45 V56 K57 A58 D62 K63 E64 Q71 L73 L99 | V35-I60 HydrophobicContact CG1-CD1 4.11Å; V35-I60 HydrophobicContact CG2-CD1 4.18Å; L45-I60 HydrophobicContact CD1-CD1 4.13Å; L45-I60 HydrophobicContact CD1-CG1 3.57Å; L45-I60 HydrophobicContact CD2-CG1 4.44Å; V56-I60 HydrophobicContact CG1-CD1 4.33Å; V56-I60 WeakPolarHBondContact O-CG1 3.39Å; V56-I60 PolarHBondContact O-N 2.7Å; K57-I60 WeakPolarHBondContact O-CB 3.41Å; K57-I60 PolarHBondContact O-N 2.95Å; K57-I60 VanDerWaalsContact O-N 3.12Å; A58-I60 VanDerWaalsContact C-N 3.25Å; A58-I60 PolarHBondContact O-N 2.86Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.82Å; I60-K63 PolarHBondContact O-N 2.83Å; I60-E64 WeakPolarHBondContact O-CB 3.1Å; I60-E64 PolarHBondContact O-N 3.32Å; I60-Q71 VanDerWaalsContact CB-OE1 3.28Å; I60-Q71 VanDerWaalsContact CD1-OE1 3.25Å; I60-Q71 HydrophobicContact CG2-CG 4.47Å; I60-L73 HydrophobicContact CD1-CD1 4.06Å; I60-L73 HydrophobicContact CD1-CD2 3.71Å; I60-L73 HydrophobicContact CD1-CG 4.41Å; I60-L99 HydrophobicContact CG2-CD2 4.06Å |
| 61 | Q | 89.6 | Confident | 91.1 | Very high | 40 Ų | 40 | 43.2 Ų | 43.2 | 19% | 0.187 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 175.2 | -178.4 | -176.3 | 11.8 | 0 | 0 | 110.8 | K57 A58 K63 G65 I66 P68 | K57-Q61 PolarHBondContact O-N 3.13Å; A58-Q61 WeakPolarHBondContact O-CA 3.4Å; A58-Q61 VanDerWaalsContact O-CB 3.29Å; A58-Q61 WeakPolarHBondContact O-CB 3.37Å; A58-Q61 PolarHBondContact O-N 2.72Å; Q61-K63 VanDerWaalsContact C-N 3.25Å; Q61-K63 PolarHBondContact O-N 2.98Å; Q61-G65 WeakPolarHBondContact O-CA 3.31Å; Q61-G65 PolarHBondContact O-N 3.48Å; Q61-I66 VanDerWaalsContact CA-O 3.27Å; Q61-I66 WeakPolarHBondContact CA-O 3.39Å; Q61-I66 VanDerWaalsContact CB-O 3.23Å; Q61-I66 WeakPolarHBondContact CB-O 3.41Å; Q61-P68 HydrophobicContact CB-CG 4.47Å; Q61-P68 VanDerWaalsContact CD-CD 3.49Å |
| 62 | D | 86.6 | Confident | 91 | Very high | 133 Ų | 133 | 46.6 Ų | 46.6 | 71% | 0.711 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.5 | -34.5 | 179 | -65.1 | -25.4 | 0 | 0 | 0 | 112.5 | A58 I60 | A58-D62 PolarHBondContact O-N 2.98Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.82Å |
| 63 | K | 89.4 | Confident | 91 | Very high | 118 Ų | 118 | 45 Ų | 45 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -87 | -34.5 | -178.6 | -72.6 | -158.4 | -177.4 | -163.2 | 0 | 114.6 | I43 T44 L45 K59 I60 Q61 | I43-K63 HydrophobicContact CG2-CD 4.2Å; T44-K63 PolarHBondContact O-NZ 3.27Å; L45-K63 HydrophobicContact CD2-CD 3.81Å; L45-K63 HydrophobicContact CD2-CG 4.47Å; K59-K63 PolarHBondContact O-N 2.76Å; I60-K63 PolarHBondContact O-N 2.83Å; Q61-K63 VanDerWaalsContact C-N 3.25Å; Q61-K63 PolarHBondContact O-N 2.98Å |
| 64 | E | 89.8 | Confident | 90.9 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -122.1 | -4.7 | -168.4 | -63.3 | -72.4 | 140.7 | 0 | 0 | 113.3 | K41 I43 I60 I66 | K41-E64 VanDerWaalsContact CE-OE1 3.3Å; K41-E64 WeakPolarHBondContact CE-OE1 3.43Å; K41-E64 IonicContact NZ-OE1 2.81Å; K41-E64 PolarHBondContact NZ-OE1 2.9Å; K41-E64 IonicContact NZ-OE2 2.94Å; K41-E64 PolarHBondContact NZ-OE2 3.25Å; I43-E64 HydrophobicContact CD1-CG 3.57Å; I43-E64 HydrophobicContact CG1-CG 4.01Å; I43-E64 HydrophobicContact CG2-CG 4.48Å; I60-E64 WeakPolarHBondContact O-CB 3.1Å; I60-E64 PolarHBondContact O-N 3.32Å; E64-I66 HydrophobicContact CB-CD1 3.76Å; E64-I66 HydrophobicContact CB-CG1 3.98Å; E64-I66 PolarHBondContact O-N 3.09Å |
| 65 | G | 85.2 | Confident | 91.1 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 60% | 0.598 | 23% | 0.23 | S | C | * | . | trans | 71.1 | 9.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q61 P67 | Q61-G65 WeakPolarHBondContact O-CA 3.31Å; Q61-G65 PolarHBondContact O-N 3.48Å; G65-P67 WeakPolarHBondContact O-CD 3.34Å | ||
| 66 | I | 86.9 | Confident | 91 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.138 | 25% | 0.245 | C | C | . | . | trans | -86.8 | 119.5 | -175 | -58 | 164.7 | 0 | 0 | 0 | 109.4 | Q61 E64 Q70 Q71 L99 L101 | Q61-I66 VanDerWaalsContact CA-O 3.27Å; Q61-I66 WeakPolarHBondContact CA-O 3.39Å; Q61-I66 VanDerWaalsContact CB-O 3.23Å; Q61-I66 WeakPolarHBondContact CB-O 3.41Å; E64-I66 HydrophobicContact CB-CD1 3.76Å; E64-I66 HydrophobicContact CB-CG1 3.98Å; E64-I66 PolarHBondContact O-N 3.09Å; I66-Q70 HydrophobicContact CG2-CB 4.33Å; I66-Q71 HydrophobicContact CB-CG 4.43Å; I66-Q71 HydrophobicContact CG2-CG 3.7Å; I66-Q71 PolarHBondContact O-NE2 2.93Å; I66-L99 HydrophobicContact CD1-CD2 4.11Å; I66-L101 HydrophobicContact CD1-CD2 4.14Å; I66-L101 HydrophobicContact CG2-CD2 3.69Å | ||
| 67 | P | 86.4 | Confident | 90.9 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 8% | 0.078 | 28% | 0.282 | C | S | . | . | trans | -61.1 | 138.8 | 179.5 | -28.8 | 39.4 | 0 | 0 | 0 | 114.1 | G65 D69 Q70 Q71 | G65-P67 WeakPolarHBondContact O-CD 3.34Å; P67-D69 VanDerWaalsContact C-N 3.28Å; P67-D69 WeakPolarHBondContact CB-OD1 3.22Å; P67-D69 PolarHBondContact O-N 3.32Å; P67-Q70 HydrophobicContact CB-CG 4.28Å; P67-Q70 WeakPolarHBondContact O-CA 3.45Å; P67-Q70 WeakPolarHBondContact O-CB 3.39Å; P67-Q70 PolarHBondContact O-N 3.31Å; P67-Q71 WeakPolarHBondContact O-CG 3.3Å; P67-Q71 PolarHBondContact O-N 2.93Å | ||
| 68 | P | 88.8 | Confident | 90.9 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -52 | -35.6 | -178.6 | -31.4 | 34.8 | 0 | 0 | 0 | 116 | K57 Q61 Q70 Q71 E124 | K57-P68 HydrophobicContact CB-CB 3.82Å; K57-P68 HydrophobicContact CB-CG 4.31Å; K57-P68 HydrophobicContact CD-CB 4.16Å; K57-P68 WeakPolarHBondContact CD-O 3.42Å; K57-P68 PolarHBondContact NZ-O 3.37Å; Q61-P68 HydrophobicContact CB-CG 4.47Å; Q61-P68 VanDerWaalsContact CD-CD 3.49Å; P68-Q70 VanDerWaalsContact C-N 3.32Å; P68-Q70 PolarHBondContact O-N 3.12Å; P68-Q71 WeakPolarHBondContact O-CB 3.46Å; P68-Q71 PolarHBondContact O-N 2.84Å; P68-Q71 VanDerWaalsContact O-N 3.08Å; P68-E124 VanDerWaalsContact CD-OE1 3.3Å; P68-E124 WeakPolarHBondContact CD-OE1 3.32Å |
| 69 | D | 83.6 | Confident | 91 | Very high | 43 Ų | 43 | 57.1 Ų | 57.1 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -68.8 | -30.4 | 178 | 69.9 | -42.7 | 0 | 0 | 0 | 112.7 | P67 Q71 G106 | P67-D69 VanDerWaalsContact C-N 3.28Å; P67-D69 WeakPolarHBondContact CB-OD1 3.22Å; P67-D69 PolarHBondContact O-N 3.32Å; D69-Q71 VanDerWaalsContact C-N 3.27Å; D69-G106 WeakPolarHBondContact OD2-CA 3.48Å; D69-G106 PolarHBondContact OD2-N 3.09Å; D69-G106 VanDerWaalsContact OD2-N 3.14Å |
| 70 | Q | 87.1 | Confident | 91 | Very high | 41 Ų | 41 | 54 Ų | 54 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -77.6 | -14.4 | 171.5 | -61.4 | -179.7 | 20.7 | 0 | 0 | 112.1 | I66 P67 P68 L101 R102 E122 | I66-Q70 HydrophobicContact CG2-CB 4.33Å; P67-Q70 HydrophobicContact CB-CG 4.28Å; P67-Q70 WeakPolarHBondContact O-CA 3.45Å; P67-Q70 WeakPolarHBondContact O-CB 3.39Å; P67-Q70 PolarHBondContact O-N 3.31Å; P68-Q70 VanDerWaalsContact C-N 3.32Å; P68-Q70 PolarHBondContact O-N 3.12Å; Q70-L101 CarbonylContact O-C 3.59Å; Q70-L101 WeakPolarHBondContact O-CA 3.3Å; Q70-R102 PolarHBondContact O-N 3.45Å; Q70-E122 VanDerWaalsContact NE2-CB 3.32Å |
| 71 | Q | 91.1 | Very high | 91 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.2 | -178.8 | -60.8 | 176.5 | 38.8 | 0 | 0 | 111.8 | K57 I60 I66 P67 P68 D69 L99 R102 | K57-Q71 HydrophobicContact CD-CB 4.28Å; K57-Q71 WeakPolarHBondContact CE-O 3.38Å; K57-Q71 HydrophobicContact CG-CB 4.01Å; K57-Q71 PolarHBondContact NZ-O 2.75Å; K57-Q71 PolarHBondContact O-NE2 3.18Å; K57-Q71 PolarHBondContact O-OE1 3.1Å; I60-Q71 VanDerWaalsContact CB-OE1 3.28Å; I60-Q71 VanDerWaalsContact CD1-OE1 3.25Å; I60-Q71 HydrophobicContact CG2-CG 4.47Å; I66-Q71 HydrophobicContact CB-CG 4.43Å; I66-Q71 HydrophobicContact CG2-CG 3.7Å; I66-Q71 PolarHBondContact O-NE2 2.93Å; P67-Q71 WeakPolarHBondContact O-CG 3.3Å; P67-Q71 PolarHBondContact O-N 2.93Å; P68-Q71 WeakPolarHBondContact O-CB 3.46Å; P68-Q71 PolarHBondContact O-N 2.84Å; P68-Q71 VanDerWaalsContact O-N 3.08Å; D69-Q71 VanDerWaalsContact C-N 3.27Å; Q71-L99 HydrophobicContact CB-CD1 3.73Å; Q71-L99 HydrophobicContact CG-CD1 3.93Å; Q71-R102 PolarHBondContact O-NH1 3.35Å; Q71-R102 VanDerWaalsContact O-NH1 3.08Å |
| 72 | R | 93.8 | Very high | 91.2 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 34% | 0.343 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110 | 164.5 | -178.2 | -174.3 | -58.1 | -154.7 | 2.4 | 108.9 | I74 Q79 V100 R102 | R72-I74 HydrophobicContact CG-CG1 4.25Å; R72-Q79 HydrophobicContact CG-CG 3.94Å; R72-V100 WeakPolarHBondContact CA-O 3.32Å; R72-V100 HydrophobicContact CB-CB 4.17Å; R72-V100 VanDerWaalsContact CB-O 3.27Å; R72-V100 WeakPolarHBondContact CB-O 3.47Å; R72-V100 PolarHBondContact N-O 2.97Å; R72-V100 PolarHBondContact O-N 3.38Å; R72-R102 HydrophobicContact CB-CG 4.2Å; R72-R102 VanDerWaalsContact NE-NE 3.13Å; R72-R102 VanDerWaalsContact NH2-NE 3.17Å |
| 73 | L | 95.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.7 | 174.5 | -62.1 | 178.3 | 0 | 0 | 0 | 110.6 | V35 I53 V56 K57 I60 L80 L97 H98 L99 | V35-L73 HydrophobicContact CG1-CD2 4.14Å; I53-L73 HydrophobicContact CG2-CD1 4.26Å; V56-L73 HydrophobicContact CB-CD1 4.41Å; V56-L73 HydrophobicContact CG1-CD1 3.83Å; K57-L73 HydrophobicContact CG-CD1 3.98Å; K57-L73 HydrophobicContact CG-CG 4.46Å; I60-L73 HydrophobicContact CD1-CD1 4.06Å; I60-L73 HydrophobicContact CD1-CD2 3.71Å; I60-L73 HydrophobicContact CD1-CG 4.41Å; L73-L80 HydrophobicContact CB-CB 4.27Å; L73-L80 HydrophobicContact CB-CD1 3.92Å; L73-L80 HydrophobicContact CB-CG 4.28Å; L73-L80 PolarHBondContact O-N 3.1Å; L73-L97 HydrophobicContact CB-CD2 4.48Å; L73-L97 HydrophobicContact CD1-CD2 4.33Å; L73-H98 WeakPolarHBondContact CA-O 3.38Å; L73-L99 HydrophobicContact CD2-CB 4.17Å; L73-L99 HydrophobicContact CD2-CD1 3.82Å |
| 74 | I | 96.6 | Very high | 91.9 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 131.1 | -179.1 | -56.3 | 174.1 | 0 | 0 | 0 | 108.7 | R72 K78 H98 V100 | R72-I74 HydrophobicContact CG-CG1 4.25Å; I74-K78 CarbonylContact C-O 3.58Å; I74-K78 VanDerWaalsContact CA-O 3.29Å; I74-K78 WeakPolarHBondContact CA-O 3.36Å; I74-H98 HydrophobicContact CB-CB 4.29Å; I74-H98 PolarHBondContact N-O 3.1Å; I74-H98 PolarHBondContact O-N 3.44Å; I74-V100 HydrophobicContact CD1-CG2 3.74Å |
| 75 | F | 97.1 | Very high | 92.2 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.8 | 173.6 | -177.1 | -114.5 | 0 | 0 | 0 | 109.8 | G77 K78 L80 I91 L97 | F75-G77 PolarHBondContact O-N 2.94Å; F75-G77 VanDerWaalsContact O-N 3.11Å; F75-K78 PolarHBondContact N-O 3.3Å; F75-K78 PolarHBondContact O-N 2.96Å; F75-L80 HydrophobicContact CB-CD1 4.17Å; F75-L80 HydrophobicContact CB-CD2 3.93Å; F75-L80 HydrophobicContact CB-CG 4.35Å; F75-I91 HydrophobicContact CB-CD1 4.34Å; F75-I91 HydrophobicContact CD1-CD1 4.17Å; F75-I91 HydrophobicContact CD1-CG1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 4.37Å; F75-I91 HydrophobicContact CE1-CG1 3.69Å; F75-I91 HydrophobicContact CE2-CG1 4.48Å; F75-I91 HydrophobicContact CG-CD1 4.2Å; F75-I91 HydrophobicContact CG-CG1 3.93Å; F75-I91 HydrophobicContact CZ-CG1 4.16Å; F75-L97 HydrophobicContact CB-CG 4.35Å; F75-L97 HydrophobicContact CD2-CD1 4.1Å; F75-L97 HydrophobicContact CD2-CG 4.43Å |
| 76 | A | 93.8 | Very high | 92.7 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 72% | 0.719 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 40.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K78 | A76-K78 PolarHBondContact O-N 3.44Š|
| 77 | G | 92.1 | Very high | 93.1 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 77% | 0.773 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 1.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | F75 | F75-G77 PolarHBondContact O-N 2.94Å; F75-G77 VanDerWaalsContact O-N 3.11Å |
| 78 | K | 94.1 | Very high | 93.6 | Very high | 143 Ų | 143 | 57.1 Ų | 57.1 | 62% | 0.622 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136 | 177.5 | -64.8 | -176.9 | -179.4 | 178.4 | 0 | 111.1 | I74 F75 A76 | I74-K78 CarbonylContact C-O 3.58Å; I74-K78 VanDerWaalsContact CA-O 3.29Å; I74-K78 WeakPolarHBondContact CA-O 3.36Å; F75-K78 PolarHBondContact N-O 3.3Å; F75-K78 PolarHBondContact O-N 2.96Å; A76-K78 PolarHBondContact O-N 3.44Å |
| 79 | Q | 94.1 | Very high | 93.9 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.5 | 169 | -172.2 | -172.9 | -64.5 | 0 | 0 | 109.3 | R72 | R72-Q79 HydrophobicContact CG-CG 3.94Å |
| 80 | L | 95.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 141.9 | 177.3 | -53.4 | -174.8 | 0 | 0 | 0 | 110.7 | I53 L73 F75 Y89 I91 L97 | I53-L80 HydrophobicContact CD1-CB 3.89Å; I53-L80 HydrophobicContact CD1-CD1 3.59Å; I53-L80 HydrophobicContact CD1-CG 4.27Å; I53-L80 HydrophobicContact CG1-CB 3.9Å; I53-L80 HydrophobicContact CG2-CB 3.88Å; L73-L80 HydrophobicContact CB-CB 4.27Å; L73-L80 HydrophobicContact CB-CD1 3.92Å; L73-L80 HydrophobicContact CB-CG 4.28Å; L73-L80 PolarHBondContact O-N 3.1Å; F75-L80 HydrophobicContact CB-CD1 4.17Å; F75-L80 HydrophobicContact CB-CD2 3.93Å; F75-L80 HydrophobicContact CB-CG 4.35Å; L80-Y89 HydrophobicContact CB-CE2 4.16Å; L80-Y89 HydrophobicContact CD2-CD1 3.65Å; L80-Y89 HydrophobicContact CD2-CD2 3.69Å; L80-Y89 HydrophobicContact CD2-CE1 3.74Å; L80-Y89 HydrophobicContact CD2-CE2 3.74Å; L80-Y89 HydrophobicContact CD2-CG 3.62Å; L80-I91 HydrophobicContact CD1-CD1 3.87Å; L80-I91 HydrophobicContact CD2-CD1 4.48Å; L80-L97 HydrophobicContact CD1-CD2 3.58Å; L80-L97 HydrophobicContact CD1-CG 4.19Å |
| 81 | E | 94.6 | Very high | 94.9 | Very high | 96 Ų | 96 | 60.3 Ų | 60.3 | 45% | 0.449 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -101.5 | 134.7 | -180 | -68 | 169 | -165.3 | 0 | 0 | 110.3 | I53 G83 R84 Y89 | I53-E81 VanDerWaalsContact CB-O 3.29Å; I53-E81 WeakPolarHBondContact CB-O 3.48Å; I53-E81 VanDerWaalsContact CG1-O 3.28Å; I53-E81 WeakPolarHBondContact CG1-O 3.32Å; E81-G83 VanDerWaalsContact C-N 3.29Å; E81-G83 PolarHBondContact O-N 2.88Å; E81-R84 HydrophobicContact CB-CG 4.34Å; E81-R84 PolarHBondContact O-N 3.11Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-NH2 3.46Å; E81-R84 PolarHBondContact OE1-NH2 2.81Å; E81-R84 IonicContact OE2-CZ 2.62Å; E81-R84 VanDerWaalsContact OE2-CZ 3.28Å; E81-R84 IonicContact OE2-NE 3.33Å; E81-R84 PolarHBondContact OE2-NE 3.46Å; E81-R84 IonicContact OE2-NH2 2.71Å; E81-R84 PolarHBondContact OE2-NH2 2.91Å; E81-Y89 WeakPolarHBondContact CB-OH 3.41Å; E81-Y89 PolarHBondContact N-OH 3.32Å |
| 82 | D | 92.1 | Very high | 94.9 | Very high | 65 Ų | 65 | 66.9 Ų | 66.9 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -37.5 | -169.8 | -66.3 | 18 | 0 | 0 | 0 | 113.4 | I53 E54 K57 R84 | I53-D82 PolarHBondContact N-O 2.93Å; E54-D82 HydrophobicContact CB-CB 4.28Å; E54-D82 PolarHBondContact N-O 3.24Å; E54-D82 VanDerWaalsContact N-O 3.15Å; K57-D82 VanDerWaalsContact CE-OD1 3.28Å; K57-D82 WeakPolarHBondContact CE-OD1 3.3Å; K57-D82 IonicContact NZ-OD1 3.24Å; K57-D82 PolarHBondContact NZ-OD1 2.99Å; K57-D82 IonicContact NZ-OD2 3.28Å; K57-D82 PolarHBondContact NZ-OD2 2.83Å; D82-R84 VanDerWaalsContact C-N 3.35Å; D82-R84 PolarHBondContact O-N 3.11Å |
| 83 | G | 93.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 68.2 Ų | 68.2 | 74% | 0.742 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 0.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E81 | E81-G83 VanDerWaalsContact C-N 3.29Å; E81-G83 PolarHBondContact O-N 2.88Å |
| 84 | R | 96.6 | Very high | 94.8 | Very high | 108 Ų | 108 | 73.9 Ų | 73.9 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -99.7 | 158.7 | 175.8 | -65.6 | -164.9 | -158.8 | -158.8 | 2.6 | 111.2 | T52 I53 E81 D82 D88 Y89 | T52-R84 CarbonylContact C-O 3.6Å; T52-R84 VanDerWaalsContact CA-O 3.26Å; T52-R84 WeakPolarHBondContact CA-O 3.26Å; I53-R84 WeakPolarHBondContact CG1-O 3.19Å; I53-R84 PolarHBondContact N-O 3.2Å; E81-R84 HydrophobicContact CB-CG 4.34Å; E81-R84 PolarHBondContact O-N 3.11Å; E81-R84 VanDerWaalsContact O-N 3.11Å; E81-R84 IonicContact OE1-NH2 3.46Å; E81-R84 PolarHBondContact OE1-NH2 2.81Å; E81-R84 IonicContact OE2-CZ 2.62Å; E81-R84 VanDerWaalsContact OE2-CZ 3.28Å; E81-R84 IonicContact OE2-NE 3.33Å; E81-R84 PolarHBondContact OE2-NE 3.46Å; E81-R84 IonicContact OE2-NH2 2.71Å; E81-R84 PolarHBondContact OE2-NH2 2.91Å; D82-R84 VanDerWaalsContact C-N 3.35Å; D82-R84 PolarHBondContact O-N 3.11Å; R84-D88 HydrophobicContact CB-CB 4.25Å; R84-Y89 HydrophobicContact CB-CD2 4.29Å; R84-Y89 HydrophobicContact CB-CE2 3.59Å; R84-Y89 HydrophobicContact CG-CE2 4.31Å |
| 85 | T | 97.2 | Very high | 94.8 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 17% | 0.166 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -90.7 | 165.2 | 177.4 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | S50 D51 T52 S87 D88 Y89 | S50-T85 WeakPolarHBondContact O-CG2 3.46Å; D51-T85 CarbonylContact O-C 3.59Å; D51-T85 WeakPolarHBondContact O-CA 3.25Å; T52-T85 HydrophobicContact CG2-CG2 4.5Å; T85-S87 PolarHBondContact O-N 3.09Å; T85-S87 PolarHBondContact OG1-N 3.24Å; T85-S87 PolarHBondContact OG1-OG 2.73Å; T85-D88 PolarHBondContact N-OD2 3.25Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 2.89Å; T85-D88 VanDerWaalsContact OG1-N 3.16Å; T85-D88 PolarHBondContact OG1-OD2 3.35Å; T85-Y89 WeakPolarHBondContact O-CD2 3.42Å |
| 86 | L | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -39.2 | 169.8 | -70.2 | -178.7 | 0 | 0 | 0 | 111.8 | M31 I33 V47 D51 I53 V56 D88 Y89 N90 I91 | M31-L86 HydrophobicContact CE-CD1 4.19Å; I33-L86 HydrophobicContact CD1-CD1 4.22Å; I33-L86 HydrophobicContact CD1-CD2 4.4Å; V47-L86 HydrophobicContact CB-CD1 3.67Å; V47-L86 HydrophobicContact CG1-CD1 4.18Å; V47-L86 HydrophobicContact CG2-CD1 3.52Å; D51-L86 HydrophobicContact CB-CD1 4.29Å; D51-L86 PolarHBondContact O-N 2.83Å; I53-L86 HydrophobicContact CD1-CD2 3.92Å; V56-L86 HydrophobicContact CG2-CD1 3.98Å; V56-L86 HydrophobicContact CG2-CD2 4.01Å; V56-L86 HydrophobicContact CG2-CG 4.05Å; L86-D88 PolarHBondContact O-N 2.83Å; L86-Y89 PolarHBondContact O-N 3.36Å; L86-N90 PolarHBondContact O-N 2.73Å; L86-I91 HydrophobicContact CB-CB 4.19Å; L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CD1 3.54Å; L86-I91 HydrophobicContact CD2-CG1 4.44Å; L86-I91 HydrophobicContact CD2-CG2 4.05Å; L86-I91 WeakPolarHBondContact O-CB 3.44Å; L86-I91 PolarHBondContact O-N 2.99Å |
| 87 | S | 94.8 | Very high | 95 | Very high | 56 Ų | 56 | 69.4 Ų | 69.4 | 39% | 0.392 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -64.6 | -35.3 | 178.2 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | P49 T85 Y89 N90 | P49-S87 VanDerWaalsContact O-CB 3.29Å; P49-S87 WeakPolarHBondContact O-CB 3.13Å; P49-S87 PolarHBondContact O-N 3.17Å; P49-S87 PolarHBondContact O-OG 3.42Å; T85-S87 PolarHBondContact O-N 3.09Å; T85-S87 PolarHBondContact OG1-N 3.24Å; T85-S87 PolarHBondContact OG1-OG 2.73Å; S87-Y89 PolarHBondContact O-N 3.19Å; S87-N90 PolarHBondContact O-N 3.04Å |
| 88 | D | 95.9 | Very high | 95.2 | Very high | 93 Ų | 93 | 70.1 Ų | 70.1 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -61.7 | -28.1 | 176.9 | -65.2 | -41.6 | 0 | 0 | 0 | 112.6 | R84 T85 L86 | R84-D88 HydrophobicContact CB-CB 4.25Å; T85-D88 PolarHBondContact N-OD2 3.25Å; T85-D88 PolarHBondContact O-N 2.91Å; T85-D88 PolarHBondContact OG1-N 2.89Å; T85-D88 VanDerWaalsContact OG1-N 3.16Å; T85-D88 PolarHBondContact OG1-OD2 3.35Å; L86-D88 PolarHBondContact O-N 2.83Å |
| 89 | Y | 96.3 | Very high | 95.3 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -94.7 | 4.7 | 175.9 | -71.1 | -71.6 | 0 | 0 | 0 | 113.5 | I53 L80 E81 R84 T85 L86 S87 I91 | I53-Y89 HydrophobicContact CD1-CD2 4.31Å; I53-Y89 HydrophobicContact CD1-CE2 4.42Å; I53-Y89 HydrophobicContact CG1-CD2 4.41Å; I53-Y89 HydrophobicContact CG1-CE2 4.07Å; L80-Y89 HydrophobicContact CB-CE2 4.16Å; L80-Y89 HydrophobicContact CD2-CD1 3.65Å; L80-Y89 HydrophobicContact CD2-CD2 3.69Å; L80-Y89 HydrophobicContact CD2-CE1 3.74Å; L80-Y89 HydrophobicContact CD2-CE2 3.74Å; L80-Y89 HydrophobicContact CD2-CG 3.62Å; E81-Y89 WeakPolarHBondContact CB-OH 3.41Å; E81-Y89 PolarHBondContact N-OH 3.32Å; R84-Y89 HydrophobicContact CB-CD2 4.29Å; R84-Y89 HydrophobicContact CB-CE2 3.59Å; R84-Y89 HydrophobicContact CG-CE2 4.31Å; T85-Y89 WeakPolarHBondContact O-CD2 3.42Å; L86-Y89 PolarHBondContact O-N 3.36Å; S87-Y89 PolarHBondContact O-N 3.19Å; Y89-I91 PolarHBondContact O-N 3.28Å |
| 90 | N | 95.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 60.8 Ų | 60.8 | 68% | 0.684 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 37 | -171.8 | -62.2 | -58.5 | 0 | 0 | 0 | 112.5 | L86 S87 Q92 | L86-N90 PolarHBondContact O-N 2.73Å; S87-N90 PolarHBondContact O-N 3.04Å; N90-Q92 PolarHBondContact O-N 3.34Å |
| 91 | I | 95.1 | Very high | 94.9 | Very high | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | trans | -76.3 | 120.8 | 174.7 | -65 | 166.6 | 0 | 0 | 0 | 107.3 | M31 I33 F75 L80 L86 Y89 L97 | M31-I91 HydrophobicContact CE-CG2 4.11Å; M31-I91 WeakPolarHBondContact CE-O 3.43Å; I33-I91 HydrophobicContact CG2-CG2 4.04Å; F75-I91 HydrophobicContact CB-CD1 4.34Å; F75-I91 HydrophobicContact CD1-CD1 4.17Å; F75-I91 HydrophobicContact CD1-CG1 3.57Å; F75-I91 HydrophobicContact CD2-CG1 4.37Å; F75-I91 HydrophobicContact CE1-CG1 3.69Å; F75-I91 HydrophobicContact CE2-CG1 4.48Å; F75-I91 HydrophobicContact CG-CD1 4.2Å; F75-I91 HydrophobicContact CG-CG1 3.93Å; F75-I91 HydrophobicContact CZ-CG1 4.16Å; L80-I91 HydrophobicContact CD1-CD1 3.87Å; L80-I91 HydrophobicContact CD2-CD1 4.48Å; L86-I91 HydrophobicContact CB-CB 4.19Å; L86-I91 HydrophobicContact CD2-CB 4.14Å; L86-I91 HydrophobicContact CD2-CD1 3.54Å; L86-I91 HydrophobicContact CD2-CG1 4.44Å; L86-I91 HydrophobicContact CD2-CG2 4.05Å; L86-I91 WeakPolarHBondContact O-CB 3.44Å; L86-I91 PolarHBondContact O-N 2.99Å; Y89-I91 PolarHBondContact O-N 3.28Å; I91-L97 HydrophobicContact CD1-CD1 4.24Å; I91-L97 HydrophobicContact CD1-CD2 4.32Å; I91-L97 HydrophobicContact CD1-CG 4.49Å; I91-L97 HydrophobicContact CG2-CD1 3.94Å | ||
| 92 | Q | 92.8 | Very high | 94.3 | Very high | 139 Ų | 139 | 63.2 Ų | 63.2 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | trans | -107.6 | 170.5 | -177.6 | -64.9 | -174.3 | -11.5 | 0 | 0 | 111.3 | N90 E94 S95 | N90-Q92 PolarHBondContact O-N 3.34Å; Q92-E94 PolarHBondContact O-N 2.79Å; Q92-S95 PolarHBondContact N-OG 3.46Å; Q92-S95 WeakPolarHBondContact O-CB 3.37Å; Q92-S95 PolarHBondContact O-N 2.62Å; Q92-S95 PolarHBondContact O-OG 2.9Å | ||
| 93 | K | 93.6 | Very high | 93.2 | Very high | 118 Ų | 118 | 66.9 Ų | 66.9 | 51% | 0.513 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 140.1 | 170.6 | -179 | 173.3 | 175.5 | 177.6 | 0 | 110.4 | M31 Q32 S95 | M31-K93 HydrophobicContact CG-CB 4.12Å; Q32-K93 CarbonylContact O-C 3.6Å; K93-S95 PolarHBondContact O-N 2.71Å |
| 94 | E | 93.8 | Very high | 91.6 | Very high | 122 Ų | 122 | 74 Ų | 74 | 57% | 0.57 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 10.6 | -177.8 | -66.7 | 159.9 | -153.8 | 0 | 0 | 115 | Q32 F34 Q92 | Q32-E94 PolarHBondContact O-N 2.84Å; F34-E94 HydrophobicContact CE2-CB 3.87Å; F34-E94 HydrophobicContact CE2-CG 3.91Å; F34-E94 HydrophobicContact CZ-CG 4.43Å; Q92-E94 PolarHBondContact O-N 2.79Å |
| 95 | S | 96.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 71.5 Ų | 71.5 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | trans | -63.4 | 143.9 | 171 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | F34 Q92 K93 | F34-S95 PolarHBondContact N-O 2.89Å; Q92-S95 PolarHBondContact N-OG 3.46Å; Q92-S95 WeakPolarHBondContact O-CB 3.37Å; Q92-S95 PolarHBondContact O-N 2.62Å; Q92-S95 PolarHBondContact O-OG 2.9Å; K93-S95 PolarHBondContact O-N 2.71Å | ||
| 96 | T | 96.7 | Very high | 89.2 | Confident | 61 Ų | 61 | 70.7 Ų | 70.7 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115.9 | 176.5 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | F34 K36 | F34-T96 HydrophobicContact CB-CG2 4.42Å; F34-T96 CarbonylContact O-C 3.58Å; F34-T96 WeakPolarHBondContact O-CA 3.38Å; K36-T96 HydrophobicContact CB-CG2 4.12Å |
| 97 | L | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 151.6 | 169.3 | -76.3 | 64.8 | 0 | 0 | 0 | 109.3 | I33 F34 V35 K36 L73 F75 L80 I91 | I33-L97 HydrophobicContact CD1-CD1 4.28Å; I33-L97 HydrophobicContact CD1-CD2 4.34Å; F34-L97 PolarHBondContact O-N 3.36Å; V35-L97 CarbonylContact C-O 3.6Å; V35-L97 WeakPolarHBondContact CA-O 3.23Å; V35-L97 HydrophobicContact CG2-CB 4.37Å; K36-L97 PolarHBondContact N-O 2.75Å; L73-L97 HydrophobicContact CB-CD2 4.48Å; L73-L97 HydrophobicContact CD1-CD2 4.33Å; F75-L97 HydrophobicContact CB-CG 4.35Å; F75-L97 HydrophobicContact CD2-CD1 4.1Å; F75-L97 HydrophobicContact CD2-CG 4.43Å; L80-L97 HydrophobicContact CD1-CD2 3.58Å; L80-L97 HydrophobicContact CD1-CG 4.19Å; I91-L97 HydrophobicContact CD1-CD1 4.24Å; I91-L97 HydrophobicContact CD1-CD2 4.32Å; I91-L97 HydrophobicContact CD1-CG 4.49Å; I91-L97 HydrophobicContact CG2-CD1 3.94Å |
| 98 | H | 97.3 | Very high | 88.6 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 128.2 | 173 | -66.6 | 73.1 | 0 | 0 | 0 | 109.6 | K36 L73 I74 | K36-H98 WeakPolarHBondContact O-CA 3.3Å; L73-H98 WeakPolarHBondContact CA-O 3.38Å; I74-H98 HydrophobicContact CB-CB 4.29Å; I74-H98 PolarHBondContact N-O 3.1Å; I74-H98 PolarHBondContact O-N 3.44Å |
| 99 | L | 95.1 | Very high | 88.6 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.1 | 174.8 | 176 | 62.2 | 0 | 0 | 0 | 110.2 | V35 K36 T37 I60 I66 Q71 L73 L101 | V35-L99 HydrophobicContact CG1-CB 3.56Å; V35-L99 HydrophobicContact CG1-CD2 4.36Å; K36-L99 PolarHBondContact O-N 3.18Å; T37-L99 HydrophobicContact CG2-CD2 4.4Å; I60-L99 HydrophobicContact CG2-CD2 4.06Å; I66-L99 HydrophobicContact CD1-CD2 4.11Å; Q71-L99 HydrophobicContact CB-CD1 3.73Å; Q71-L99 HydrophobicContact CG-CD1 3.93Å; L73-L99 HydrophobicContact CD2-CB 4.17Å; L73-L99 HydrophobicContact CD2-CD1 3.82Å; L99-L101 HydrophobicContact CD1-CD2 4.34Å; L99-L101 HydrophobicContact CD2-CD2 4.24Å; L99-L101 HydrophobicContact CG-CD2 4.14Å |
| 100 | V | 92.6 | Very high | 88.6 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 22% | 0.218 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130.2 | 171.1 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | L38 R72 I74 | L38-V100 HydrophobicContact CD1-CG1 4.22Å; L38-V100 HydrophobicContact CD1-CG2 4.29Å; L38-V100 HydrophobicContact CD2-CG2 4.22Å; L38-V100 HydrophobicContact CG-CG2 4.32Å; R72-V100 WeakPolarHBondContact CA-O 3.32Å; R72-V100 HydrophobicContact CB-CB 4.17Å; R72-V100 VanDerWaalsContact CB-O 3.27Å; R72-V100 WeakPolarHBondContact CB-O 3.47Å; R72-V100 PolarHBondContact N-O 2.97Å; R72-V100 PolarHBondContact O-N 3.38Å; I74-V100 HydrophobicContact CD1-CG2 3.74Å |
| 101 | L | 89.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 126 | 177.9 | -55.3 | -177.8 | 0 | 0 | 0 | 110.3 | I66 Q70 L99 | I66-L101 HydrophobicContact CD1-CD2 4.14Å; I66-L101 HydrophobicContact CG2-CD2 3.69Å; Q70-L101 CarbonylContact O-C 3.59Å; Q70-L101 WeakPolarHBondContact O-CA 3.3Å; L99-L101 HydrophobicContact CD1-CD2 4.34Å; L99-L101 HydrophobicContact CD2-CD2 4.24Å; L99-L101 HydrophobicContact CG-CD2 4.14Å |
| 102 | R | 83.6 | Confident | 88.9 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | trans | -89.1 | 133.2 | 167.4 | -63.9 | -173.9 | 178 | 105.9 | -2.5 | 108.2 | Q70 Q71 R72 | Q70-R102 PolarHBondContact O-N 3.45Å; Q71-R102 PolarHBondContact O-NH1 3.35Å; Q71-R102 VanDerWaalsContact O-NH1 3.08Å; R72-R102 HydrophobicContact CB-CG 4.2Å; R72-R102 VanDerWaalsContact NE-NE 3.13Å; R72-R102 VanDerWaalsContact NH2-NE 3.17Å | ||
| 103 | L | 67.4 | Low | 88.9 | Confident | 142 Ų | 142 | 60.7 Ų | 60.7 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -87 | -13.3 | -175 | -67.9 | 171.9 | 0 | 0 | 0 | 114.7 | ||
| 104 | R | 60.7 | Low | 88.6 | Confident | 221 Ų | 221 | 61.7 Ų | 61.7 | 83% | 0.834 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -156.9 | 63.3 | -164.5 | -59.8 | -174.6 | -171.4 | 158.2 | 3.3 | 114.8 | ||
| 105 | G | 66 | Low | 88.4 | Confident | 56 Ų | 56 | 61.9 Ų | 61.9 | 58% | 0.577 | 32% | 0.322 | S | S | * | . | trans | -119.9 | -17.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 106 | G | 76.9 | Confident | 88.1 | Confident | 10 Ų | 10 | 62.9 Ų | 62.9 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -92.7 | 179 | -161.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | D69 Q108 | D69-G106 WeakPolarHBondContact OD2-CA 3.48Å; D69-G106 PolarHBondContact OD2-N 3.09Å; D69-G106 VanDerWaalsContact OD2-N 3.14Å; G106-Q108 PolarHBondContact O-N 2.84Å |
| 107 | M | 88.2 | Confident | 87.9 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 16% | 0.158 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 111.9 | 160.9 | 170.2 | 176.9 | 163.9 | 0 | 0 | 108 | I109 V123 P125 L162 I167 K169 | M107-I109 HydrophobicContact CE-CG2 4.03Å; M107-V123 WeakPolarHBondContact CB-O 3.26Å; M107-V123 HydrophobicContact CE-CG2 4.13Å; M107-V123 HydrophobicContact CG-CG2 4.05Å; M107-V123 WeakPolarHBondContact O-CG2 3.48Å; M107-V123 PolarHBondContact O-N 2.89Å; M107-P125 HydrophobicContact SD-CG 3.74Å; M107-L162 HydrophobicContact CE-CD1 4.3Å; M107-I167 HydrophobicContact CE-CG2 4.46Å; M107-I167 WeakPolarHBondContact CE-O 3.43Å; M107-K169 HydrophobicContact CG-CB 4.08Å |
| 108 | Q | 90.8 | Very high | 87.8 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 23% | 0.234 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.3 | 173.8 | -71 | 177.2 | 10.6 | 0 | 0 | 110.1 | G106 T120 L121 E122 K169 E170 | G106-Q108 PolarHBondContact O-N 2.84Å; Q108-T120 HydrophobicContact CB-CG2 4.24Å; Q108-T120 HydrophobicContact CG-CG2 4.23Å; Q108-L121 CarbonylContact C-O 3.6Å; Q108-L121 VanDerWaalsContact CA-O 3.27Å; Q108-L121 WeakPolarHBondContact CA-O 3.43Å; Q108-E122 HydrophobicContact CG-CG 4.47Å; Q108-E122 WeakPolarHBondContact CG-OE1 3.39Å; Q108-E122 WeakPolarHBondContact CG-OE2 3.4Å; Q108-E122 PolarHBondContact NE2-OE1 3.46Å; Q108-K169 CarbonylContact O-C 3.52Å; Q108-E170 PolarHBondContact O-N 2.62Å |
| 109 | I | 95.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160 | 165 | 64 | 171.5 | 0 | 0 | 0 | 109.5 | M107 L121 V123 V132 L162 I167 L173 | M107-I109 HydrophobicContact CE-CG2 4.03Å; I109-L121 HydrophobicContact CG1-CB 3.99Å; I109-L121 PolarHBondContact N-O 3.49Å; I109-L121 PolarHBondContact O-N 3.45Å; I109-V123 HydrophobicContact CB-CG2 4.3Å; I109-V123 HydrophobicContact CD1-CG1 3.86Å; I109-V123 HydrophobicContact CD1-CG2 4.04Å; I109-V123 HydrophobicContact CG1-CG1 3.91Å; I109-V123 HydrophobicContact CG1-CG2 3.81Å; I109-V123 HydrophobicContact CG2-CG2 3.71Å; I109-V132 HydrophobicContact CD1-CG1 4.31Å; I109-L162 HydrophobicContact CD1-CD1 4.16Å; I109-L162 HydrophobicContact CD1-CD2 4.31Å; I109-I167 HydrophobicContact CG2-CG2 3.94Å; I109-L173 HydrophobicContact CD1-CD1 4.12Å; I109-L173 HydrophobicContact CD1-CD2 4.23Å |
| 110 | F | 97.3 | Very high | 87.6 | Confident | 53 Ų | 53 | 67 Ų | 67 | 23% | 0.232 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136 | 178.1 | -56.6 | -69.2 | 0 | 0 | 0 | 110 | T118 I119 T120 E170 S171 T172 L173 | F110-T118 HydrophobicContact CB-CG2 3.91Å; F110-T118 HydrophobicContact CD1-CG2 4.05Å; F110-T118 HydrophobicContact CG-CG2 4.31Å; F110-I119 CarbonylContact C-O 3.5Å; F110-I119 WeakPolarHBondContact CA-O 3.42Å; F110-T120 HydrophobicContact CD1-CG2 4.3Å; F110-T120 HydrophobicContact CE1-CG2 4.04Å; F110-E170 WeakPolarHBondContact CD2-O 3.45Å; F110-E170 HydrophobicContact CE2-CB 3.9Å; F110-E170 HydrophobicContact CE2-CG 3.99Å; F110-E170 HydrophobicContact CZ-CG 4.43Å; F110-S171 PolarHBondContact N-O 3Å; F110-T172 HydrophobicContact CB-CG2 4.34Å; F110-T172 CarbonylContact O-C 3.51Å; F110-T172 VanDerWaalsContact O-CA 3.31Å; F110-T172 WeakPolarHBondContact O-CA 3.45Å; F110-L173 PolarHBondContact O-N 2.77Å |
| 111 | V | 97.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.1 | 173.5 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | I119 L121 I136 L149 L173 L175 | V111-I119 HydrophobicContact CB-CB 4.34Å; V111-I119 PolarHBondContact N-O 2.94Å; V111-I119 PolarHBondContact O-N 2.88Å; V111-L121 HydrophobicContact CG2-CD1 3.52Å; V111-L121 HydrophobicContact CG2-CG 4.12Å; V111-I136 HydrophobicContact CG1-CD1 4.09Å; V111-I136 HydrophobicContact CG2-CD1 4.16Å; V111-L149 HydrophobicContact CG1-CD2 4.07Å; V111-L173 CarbonylContact C-O 3.51Å; V111-L173 WeakPolarHBondContact CA-O 3.42Å; V111-L173 HydrophobicContact CG2-CB 4.36Å; V111-L175 HydrophobicContact CG1-CB 3.54Å; V111-L175 HydrophobicContact CG1-CD2 4.36Å |
| 112 | K | 97.3 | Very high | 87.5 | Confident | 89 Ų | 89 | 62.2 Ų | 62.2 | 39% | 0.387 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 122.8 | 179.6 | -163.4 | 174 | -176 | 178.5 | 0 | 110.2 | T172 L173 H174 L175 | K112-T172 HydrophobicContact CB-CG2 4.14Å; K112-L173 PolarHBondContact N-O 3.34Å; K112-H174 CarbonylContact O-C 3.56Å; K112-H174 WeakPolarHBondContact O-CA 3.4Å; K112-L175 PolarHBondContact O-N 3.06Å |
| 113 | T | 93.6 | Very high | 87.8 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 162.1 | 175.1 | 63.6 | 0 | 0 | 0 | 0 | 111.2 | T115 G116 K117 I119 L175 | T113-T115 PolarHBondContact O-N 3.42Å; T113-T115 PolarHBondContact OG1-OG1 3.2Å; T113-G116 PolarHBondContact O-N 2.88Å; T113-K117 PolarHBondContact N-O 2.96Å; T113-K117 WeakPolarHBondContact OG1-CB 3.39Å; T113-K117 PolarHBondContact OG1-N 3.26Å; T113-K117 VanDerWaalsContact OG1-N 3.13Å; T113-K117 PolarHBondContact OG1-O 3.3Å; T113-I119 HydrophobicContact CG2-CD1 3.85Å; T113-L175 HydrophobicContact CG2-CD2 4.3Å |
| 114 | L | 88.4 | Confident | 88.9 | Confident | 138 Ų | 138 | 55.1 Ų | 55.1 | 72% | 0.723 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -23.6 | 174 | -69.2 | 177.9 | 0 | 0 | 0 | 113.8 | G116 V176 | L114-G116 PolarHBondContact O-N 2.86Å; L114-V176 HydrophobicContact CD1-CB 4.48Å; L114-V176 HydrophobicContact CD1-CG1 4.14Å; L114-V176 HydrophobicContact CD1-CG2 4.26Å; L114-V176 HydrophobicContact CD2-CG2 4.14Å; L114-V176 HydrophobicContact CG-CG2 4.26Å |
| 115 | T | 88.6 | Confident | 90.3 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 78% | 0.779 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.2 | 176.5 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | T113 | T113-T115 PolarHBondContact O-N 3.42Å; T113-T115 PolarHBondContact OG1-OG1 3.2Å |
| 116 | G | 88.9 | Confident | 91.5 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 89.6 | -4.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T113 L114 | T113-G116 PolarHBondContact O-N 2.88Å; L114-G116 PolarHBondContact O-N 2.86Å |
| 117 | K | 94.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 48.3 Ų | 48.3 | 44% | 0.443 | 27% | 0.271 | S | S | . | . | trans | -66.3 | 132.1 | 172.5 | -179.8 | -178.6 | 176.1 | -175.3 | 0 | 110 | T113 E140 | T113-K117 PolarHBondContact N-O 2.96Å; T113-K117 WeakPolarHBondContact OG1-CB 3.39Å; T113-K117 PolarHBondContact OG1-N 3.26Å; T113-K117 VanDerWaalsContact OG1-N 3.13Å; T113-K117 PolarHBondContact OG1-O 3.3Å; K117-E140 VanDerWaalsContact CE-OE1 3.32Å; K117-E140 WeakPolarHBondContact CE-OE1 3.46Å; K117-E140 IonicContact NZ-OE1 2.67Å; K117-E140 PolarHBondContact NZ-OE1 2.87Å; K117-E140 IonicContact NZ-OE2 2.78Å; K117-E140 PolarHBondContact NZ-OE2 2.96Å | ||
| 118 | T | 95.3 | Very high | 92.7 | Very high | 75 Ų | 75 | 48.5 Ų | 48.5 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.3 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | F110 | F110-T118 HydrophobicContact CB-CG2 3.91Å; F110-T118 HydrophobicContact CD1-CG2 4.05Å; F110-T118 HydrophobicContact CG-CG2 4.31Å |
| 119 | I | 93.7 | Very high | 93 | Very high | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.3 | 176.6 | -55.6 | 149.5 | 0 | 0 | 0 | 107.3 | F110 V111 T113 L121 K139 E140 | F110-I119 CarbonylContact C-O 3.5Å; F110-I119 WeakPolarHBondContact CA-O 3.42Å; V111-I119 HydrophobicContact CB-CB 4.34Å; V111-I119 PolarHBondContact N-O 2.94Å; V111-I119 PolarHBondContact O-N 2.88Å; T113-I119 HydrophobicContact CG2-CD1 3.85Å; I119-L121 HydrophobicContact CG2-CD2 4.02Å; I119-L121 HydrophobicContact CG2-CG 4.48Å; I119-K139 HydrophobicContact CG2-CD 4.2Å; I119-E140 HydrophobicContact CD1-CG 3.59Å; I119-E140 HydrophobicContact CG1-CG 4.02Å |
| 120 | T | 93.3 | Very high | 92.9 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.331 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 128 | 173.6 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | Q108 F110 K139 | Q108-T120 HydrophobicContact CB-CG2 4.24Å; Q108-T120 HydrophobicContact CG-CG2 4.23Å; F110-T120 HydrophobicContact CD1-CG2 4.3Å; F110-T120 HydrophobicContact CE1-CG2 4.04Å; T120-K139 PolarHBondContact O-NZ 3.38Å |
| 121 | L | 91.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.2 | 174.8 | -60.2 | 179.3 | 0 | 0 | 0 | 110.3 | Q108 I109 V111 I119 V123 V132 K135 I136 K139 | Q108-L121 CarbonylContact C-O 3.6Å; Q108-L121 VanDerWaalsContact CA-O 3.27Å; Q108-L121 WeakPolarHBondContact CA-O 3.43Å; I109-L121 HydrophobicContact CG1-CB 3.99Å; I109-L121 PolarHBondContact N-O 3.49Å; I109-L121 PolarHBondContact O-N 3.45Å; V111-L121 HydrophobicContact CG2-CD1 3.52Å; V111-L121 HydrophobicContact CG2-CG 4.12Å; I119-L121 HydrophobicContact CG2-CD2 4.02Å; I119-L121 HydrophobicContact CG2-CG 4.48Å; L121-V123 HydrophobicContact CB-CG1 3.99Å; L121-V132 HydrophobicContact CD1-CG1 3.88Å; L121-K135 HydrophobicContact CD2-CB 4.26Å; L121-I136 HydrophobicContact CD1-CD1 4.09Å; L121-I136 HydrophobicContact CD1-CG1 3.57Å; L121-I136 HydrophobicContact CD2-CG1 4.32Å; L121-I136 HydrophobicContact CG-CG1 4.49Å; L121-K139 HydrophobicContact CD2-CD 3.91Å |
| 122 | E | 88.6 | Confident | 92.5 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 12% | 0.117 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 121.8 | 169.5 | -63.2 | -76.6 | -178 | 0 | 0 | 107.3 | Q70 Q108 K135 | Q70-E122 VanDerWaalsContact NE2-CB 3.32Å; Q108-E122 HydrophobicContact CG-CG 4.47Å; Q108-E122 WeakPolarHBondContact CG-OE1 3.39Å; Q108-E122 WeakPolarHBondContact CG-OE2 3.4Å; Q108-E122 PolarHBondContact NE2-OE1 3.46Å; E122-K135 PolarHBondContact O-NZ 2.73Å |
| 123 | V | 89.8 | Confident | 92.4 | Very high | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.03 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 163.2 | -169.6 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | M107 I109 L121 D127 V132 K135 L162 | M107-V123 WeakPolarHBondContact CB-O 3.26Å; M107-V123 HydrophobicContact CE-CG2 4.13Å; M107-V123 HydrophobicContact CG-CG2 4.05Å; M107-V123 WeakPolarHBondContact O-CG2 3.48Å; M107-V123 PolarHBondContact O-N 2.89Å; I109-V123 HydrophobicContact CB-CG2 4.3Å; I109-V123 HydrophobicContact CD1-CG1 3.86Å; I109-V123 HydrophobicContact CD1-CG2 4.04Å; I109-V123 HydrophobicContact CG1-CG1 3.91Å; I109-V123 HydrophobicContact CG1-CG2 3.81Å; I109-V123 HydrophobicContact CG2-CG2 3.71Å; L121-V123 HydrophobicContact CB-CG1 3.99Å; V123-D127 VanDerWaalsContact CA-OD2 3.27Å; V123-D127 WeakPolarHBondContact CA-OD2 3.31Å; V123-D127 WeakPolarHBondContact CB-OD2 3.35Å; V123-V132 HydrophobicContact CG1-CG2 4.34Å; V123-K135 HydrophobicContact CG1-CD 4.18Å; V123-L162 HydrophobicContact CB-CD1 3.58Å; V123-L162 HydrophobicContact CG1-CD1 4.1Å; V123-L162 HydrophobicContact CG2-CD1 3.44Å; V123-L162 VanDerWaalsContact CG2-CD1 3.44Å |
| 124 | E | 90.1 | Very high | 92.3 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | trans | -110.4 | 151.4 | 168.8 | -63.5 | -176.2 | 173.2 | 0 | 0 | 110.5 | P68 S126 D127 | P68-E124 VanDerWaalsContact CD-OE1 3.3Å; P68-E124 WeakPolarHBondContact CD-OE1 3.32Å; E124-S126 WeakPolarHBondContact CB-OG 3.14Å; E124-S126 PolarHBondContact O-N 3.08Å; E124-S126 VanDerWaalsContact O-N 3.1Å; E124-S126 PolarHBondContact OE2-OG 2.96Å; E124-D127 PolarHBondContact N-OD2 3.36Å; E124-D127 WeakPolarHBondContact O-CB 3.47Å; E124-D127 PolarHBondContact O-N 2.95Å | ||
| 125 | P | 91.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 44.7 Ų | 44.7 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.4 | 174.7 | -23 | 31.9 | 0 | 0 | 0 | 113.5 | M107 S163 | M107-P125 HydrophobicContact SD-CG 3.74Å; P125-S163 VanDerWaalsContact O-CB 3.3Å; P125-S163 WeakPolarHBondContact O-CB 3.39Å; P125-S163 PolarHBondContact O-N 3.33Å; P125-S163 PolarHBondContact O-OG 3.25Å |
| 126 | S | 91.1 | Very high | 92.6 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.5 | 176.2 | 36.8 | 0 | 0 | 0 | 0 | 114.2 | E124 T128 T161 | E124-S126 WeakPolarHBondContact CB-OG 3.14Å; E124-S126 PolarHBondContact O-N 3.08Å; E124-S126 VanDerWaalsContact O-N 3.1Å; E124-S126 PolarHBondContact OE2-OG 2.96Å; S126-T128 PolarHBondContact O-N 3.32Å; S126-T161 WeakPolarHBondContact O-CG2 3.22Å |
| 127 | D | 92.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | trans | -60.1 | 130.7 | -179.7 | -84.3 | -30.7 | 0 | 0 | 0 | 110.2 | V123 E124 N131 V132 K135 T161 L162 | V123-D127 VanDerWaalsContact CA-OD2 3.27Å; V123-D127 WeakPolarHBondContact CA-OD2 3.31Å; V123-D127 WeakPolarHBondContact CB-OD2 3.35Å; E124-D127 PolarHBondContact N-OD2 3.36Å; E124-D127 WeakPolarHBondContact O-CB 3.47Å; E124-D127 PolarHBondContact O-N 2.95Å; D127-N131 HydrophobicContact CB-CB 4.46Å; D127-V132 HydrophobicContact CB-CG2 4.26Å; D127-K135 VanDerWaalsContact OD2-CE 3.22Å; D127-K135 WeakPolarHBondContact OD2-CE 3.23Å; D127-K135 IonicContact OD2-NZ 2.62Å; D127-K135 PolarHBondContact OD2-NZ 2.87Å; D127-T161 CarbonylContact O-C 3.52Å; D127-T161 WeakPolarHBondContact O-CA 3.08Å; D127-L162 HydrophobicContact CB-CD1 4.31Å; D127-L162 PolarHBondContact O-N 3.23Å | ||
| 128 | T | 96.3 | Very high | 92.2 | Very high | 36 Ų | 36 | 40 Ų | 40 | 22% | 0.221 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -71.1 | 157.5 | 171.3 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | S126 E130 N131 V132 R160 | S126-T128 PolarHBondContact O-N 3.32Å; T128-E130 PolarHBondContact O-N 3.3Å; T128-N131 WeakPolarHBondContact O-CB 3.3Å; T128-N131 PolarHBondContact O-N 2.93Å; T128-N131 VanDerWaalsContact O-N 3.1Å; T128-N131 PolarHBondContact OG1-N 2.98Å; T128-N131 VanDerWaalsContact OG1-N 3.09Å; T128-N131 PolarHBondContact OG1-OD1 3.35Å; T128-V132 WeakPolarHBondContact O-CG2 3.36Å; T128-V132 PolarHBondContact O-N 3.43Å; T128-R160 CarbonylContact C-O 3.6Å; T128-R160 VanDerWaalsContact CA-O 3.26Å; T128-R160 WeakPolarHBondContact CA-O 3.14Å |
| 129 | I | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -31.9 | 173.6 | -61.4 | -55 | 0 | 0 | 0 | 111.1 | V132 K133 L149 L156 E157 D158 R160 L162 Y165 | I129-V132 PolarHBondContact O-N 2.88Å; I129-K133 WeakPolarHBondContact O-CG 3.4Å; I129-K133 PolarHBondContact O-N 3.48Å; I129-L149 HydrophobicContact CG2-CD1 4.24Å; I129-L156 HydrophobicContact CD1-CB 3.93Å; I129-L156 HydrophobicContact CD1-CD1 3.58Å; I129-L156 HydrophobicContact CD1-CG 4.29Å; I129-L156 HydrophobicContact CG1-CB 3.9Å; I129-L156 HydrophobicContact CG1-CD1 4.48Å; I129-L156 HydrophobicContact CG2-CB 3.86Å; I129-E157 VanDerWaalsContact CB-O 3.27Å; I129-E157 WeakPolarHBondContact CB-O 3.23Å; I129-E157 VanDerWaalsContact CG1-O 3.25Å; I129-E157 WeakPolarHBondContact CG1-O 3.38Å; I129-D158 PolarHBondContact N-O 3.21Å; I129-R160 WeakPolarHBondContact CG1-O 3.39Å; I129-R160 PolarHBondContact N-O 2.97Å; I129-L162 HydrophobicContact CD1-CD2 3.96Å; I129-Y165 HydrophobicContact CD1-CD2 4.27Å; I129-Y165 HydrophobicContact CD1-CE2 4.35Å; I129-Y165 HydrophobicContact CG1-CD2 4.38Å; I129-Y165 HydrophobicContact CG1-CE2 4.01Å |
| 130 | E | 94.4 | Very high | 91.7 | Very high | 116 Ų | 116 | 44.7 Ų | 44.7 | 54% | 0.542 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 170 | -171.2 | 171.3 | -162.6 | 0 | 0 | 112.3 | T128 V132 K133 A134 D158 | T128-E130 PolarHBondContact O-N 3.3Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 3.49Å; E130-K133 WeakPolarHBondContact O-CB 3.23Å; E130-K133 PolarHBondContact O-N 2.74Å; E130-K133 VanDerWaalsContact O-N 3.1Å; E130-A134 PolarHBondContact O-N 3.41Å; E130-D158 HydrophobicContact CB-CB 4.26Å; E130-D158 PolarHBondContact N-O 3.32Å; E130-D158 VanDerWaalsContact N-O 3.17Å |
| 131 | N | 92.1 | Very high | 91.3 | Very high | 75 Ų | 75 | 44.9 Ų | 44.9 | 40% | 0.401 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 175.9 | -70 | -2.6 | 0 | 0 | 0 | 111.9 | D127 T128 K133 A134 K135 | D127-N131 HydrophobicContact CB-CB 4.46Å; T128-N131 WeakPolarHBondContact O-CB 3.3Å; T128-N131 PolarHBondContact O-N 2.93Å; T128-N131 VanDerWaalsContact O-N 3.1Å; T128-N131 PolarHBondContact OG1-N 2.98Å; T128-N131 VanDerWaalsContact OG1-N 3.09Å; T128-N131 PolarHBondContact OG1-OD1 3.35Å; N131-K133 VanDerWaalsContact C-N 3.3Å; N131-K133 PolarHBondContact O-N 2.97Å; N131-A134 PolarHBondContact O-N 2.9Å; N131-K135 WeakPolarHBondContact O-CG 3.47Å; N131-K135 PolarHBondContact O-N 3.26Å |
| 132 | V | 95.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | I109 L121 V123 D127 T128 I129 E130 K135 I136 L149 L162 | I109-V132 HydrophobicContact CD1-CG1 4.31Å; L121-V132 HydrophobicContact CD1-CG1 3.88Å; V123-V132 HydrophobicContact CG1-CG2 4.34Å; D127-V132 HydrophobicContact CB-CG2 4.26Å; T128-V132 WeakPolarHBondContact O-CG2 3.36Å; T128-V132 PolarHBondContact O-N 3.43Å; I129-V132 PolarHBondContact O-N 2.88Å; E130-V132 VanDerWaalsContact C-N 3.31Å; E130-V132 PolarHBondContact O-N 3.49Å; V132-K135 PolarHBondContact O-N 3.33Å; V132-I136 HydrophobicContact CG1-CD1 4.36Å; V132-I136 WeakPolarHBondContact O-CG1 3.22Å; V132-I136 PolarHBondContact O-N 2.97Å; V132-I136 VanDerWaalsContact O-N 3.11Å; V132-L149 HydrophobicContact CB-CD1 4.33Å; V132-L149 HydrophobicContact CG1-CD1 3.73Å; V132-L162 HydrophobicContact CG2-CD1 4.07Å; V132-L162 HydrophobicContact CG2-CD2 3.95Å; V132-L162 HydrophobicContact CG2-CG 4.07Å |
| 133 | K | 94.6 | Very high | 91.1 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 175.3 | -71.6 | 169.6 | 164.5 | -167 | 0 | 112.5 | I129 E130 N131 K135 I136 Q137 P144 Q147 L149 D158 | I129-K133 WeakPolarHBondContact O-CG 3.4Å; I129-K133 PolarHBondContact O-N 3.48Å; E130-K133 WeakPolarHBondContact O-CB 3.23Å; E130-K133 PolarHBondContact O-N 2.74Å; E130-K133 VanDerWaalsContact O-N 3.1Å; N131-K133 VanDerWaalsContact C-N 3.3Å; N131-K133 PolarHBondContact O-N 2.97Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.95Å; K133-I136 WeakPolarHBondContact O-CB 3.5Å; K133-I136 PolarHBondContact O-N 2.73Å; K133-I136 VanDerWaalsContact O-N 3.11Å; K133-Q137 PolarHBondContact O-N 2.92Å; K133-P144 HydrophobicContact CB-CB 3.84Å; K133-P144 HydrophobicContact CB-CG 4.37Å; K133-P144 HydrophobicContact CD-CB 4.24Å; K133-P144 WeakPolarHBondContact CD-O 3.27Å; K133-P144 WeakPolarHBondContact CE-O 3.42Å; K133-P144 PolarHBondContact NZ-O 3.32Å; K133-Q147 HydrophobicContact CD-CB 4.33Å; K133-Q147 WeakPolarHBondContact CE-O 3.38Å; K133-Q147 HydrophobicContact CG-CB 3.98Å; K133-Q147 PolarHBondContact NZ-O 3.16Å; K133-Q147 PolarHBondContact O-NE2 2.84Å; K133-Q147 PolarHBondContact O-OE1 3.15Å; K133-L149 HydrophobicContact CG-CD1 3.97Å; K133-L149 HydrophobicContact CG-CG 4.49Å; K133-D158 WeakPolarHBondContact CE-OD1 3.15Å; K133-D158 IonicContact NZ-OD1 3.1Å; K133-D158 PolarHBondContact NZ-OD1 3.02Å; K133-D158 IonicContact NZ-OD2 2.8Å; K133-D158 PolarHBondContact NZ-OD2 3.11Å |
| 134 | A | 90.9 | Very high | 91 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 28% | 0.281 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.3 | -45 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | E130 N131 I136 Q137 D138 | E130-A134 PolarHBondContact O-N 3.41Å; N131-A134 PolarHBondContact O-N 2.9Å; A134-I136 PolarHBondContact O-N 2.78Å; A134-Q137 CarbonylContact O-C 3.59Å; A134-Q137 WeakPolarHBondContact O-CA 3.32Å; A134-Q137 VanDerWaalsContact O-CB 3.26Å; A134-Q137 WeakPolarHBondContact O-CB 3.41Å; A134-Q137 PolarHBondContact O-N 2.89Å; A134-D138 PolarHBondContact O-N 3.09Å |
| 135 | K | 91.4 | Very high | 90.8 | Very high | 38 Ų | 38 | 46.3 Ų | 46.3 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.2 | -31.7 | 174.9 | -68.5 | 168.1 | -172.2 | -98.5 | 0 | 113.3 | L121 E122 V123 D127 N131 V132 K133 K139 | L121-K135 HydrophobicContact CD2-CB 4.26Å; E122-K135 PolarHBondContact O-NZ 2.73Å; V123-K135 HydrophobicContact CG1-CD 4.18Å; D127-K135 VanDerWaalsContact OD2-CE 3.22Å; D127-K135 WeakPolarHBondContact OD2-CE 3.23Å; D127-K135 IonicContact OD2-NZ 2.62Å; D127-K135 PolarHBondContact OD2-NZ 2.87Å; N131-K135 WeakPolarHBondContact O-CG 3.47Å; N131-K135 PolarHBondContact O-N 3.26Å; V132-K135 PolarHBondContact O-N 3.33Å; K133-K135 VanDerWaalsContact C-N 3.32Å; K133-K135 PolarHBondContact O-N 2.95Å; K135-K139 PolarHBondContact O-N 3.34Å |
| 136 | I | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.6 | -40.9 | 173.4 | -66.6 | 163.5 | 0 | 0 | 0 | 110.5 | V111 L121 V132 K133 A134 D138 K139 E140 Q147 L149 L175 | V111-I136 HydrophobicContact CG1-CD1 4.09Å; V111-I136 HydrophobicContact CG2-CD1 4.16Å; L121-I136 HydrophobicContact CD1-CD1 4.09Å; L121-I136 HydrophobicContact CD1-CG1 3.57Å; L121-I136 HydrophobicContact CD2-CG1 4.32Å; L121-I136 HydrophobicContact CG-CG1 4.49Å; V132-I136 HydrophobicContact CG1-CD1 4.36Å; V132-I136 WeakPolarHBondContact O-CG1 3.22Å; V132-I136 PolarHBondContact O-N 2.97Å; V132-I136 VanDerWaalsContact O-N 3.11Å; K133-I136 WeakPolarHBondContact O-CB 3.5Å; K133-I136 PolarHBondContact O-N 2.73Å; K133-I136 VanDerWaalsContact O-N 3.11Å; A134-I136 PolarHBondContact O-N 2.78Å; I136-D138 VanDerWaalsContact C-N 3.32Å; I136-D138 PolarHBondContact O-N 3.48Å; I136-K139 PolarHBondContact O-N 2.8Å; I136-E140 WeakPolarHBondContact O-CB 3.5Å; I136-E140 PolarHBondContact O-N 3.2Å; I136-Q147 VanDerWaalsContact CB-OE1 3.29Å; I136-Q147 VanDerWaalsContact CD1-OE1 3.26Å; I136-L149 HydrophobicContact CD1-CD1 4.07Å; I136-L149 HydrophobicContact CD1-CD2 3.71Å; I136-L149 HydrophobicContact CD1-CG 4.39Å; I136-L175 HydrophobicContact CG2-CD2 4Å |
| 137 | Q | 89.1 | Confident | 90.7 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 174.5 | -178.4 | -176 | 11.8 | 0 | 0 | 110.7 | K133 A134 K139 G141 I142 P144 | K133-Q137 PolarHBondContact O-N 2.92Å; A134-Q137 CarbonylContact O-C 3.59Å; A134-Q137 WeakPolarHBondContact O-CA 3.32Å; A134-Q137 VanDerWaalsContact O-CB 3.26Å; A134-Q137 WeakPolarHBondContact O-CB 3.41Å; A134-Q137 PolarHBondContact O-N 2.89Å; Q137-K139 VanDerWaalsContact C-N 3.26Å; Q137-K139 PolarHBondContact O-N 3.49Å; Q137-G141 WeakPolarHBondContact O-CA 3.15Å; Q137-G141 PolarHBondContact O-N 2.86Å; Q137-I142 VanDerWaalsContact CA-O 3.3Å; Q137-I142 WeakPolarHBondContact CA-O 3.43Å; Q137-I142 VanDerWaalsContact CB-O 3.23Å; Q137-I142 WeakPolarHBondContact CB-O 3.49Å; Q137-P144 HydrophobicContact CB-CG 4.47Å; Q137-P144 VanDerWaalsContact CD-CD 3.48Å; Q137-P144 VanDerWaalsContact OE1-CG 3.3Å |
| 138 | D | 84.8 | Confident | 90.8 | Very high | 133 Ų | 133 | 45.6 Ų | 45.6 | 71% | 0.711 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -61.7 | -34.7 | 179 | -65.4 | -26.1 | 0 | 0 | 0 | 112.7 | A134 I136 | A134-D138 PolarHBondContact O-N 3.09Å; I136-D138 VanDerWaalsContact C-N 3.32Å; I136-D138 PolarHBondContact O-N 3.48Å |
| 139 | K | 87.1 | Confident | 90.8 | Very high | 119 Ų | 119 | 44 Ų | 44 | 52% | 0.517 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -87.4 | -33.7 | -178.6 | -72.9 | -161.1 | -179.6 | -163.1 | 0 | 114.6 | I119 T120 L121 K135 I136 Q137 | I119-K139 HydrophobicContact CG2-CD 4.2Å; T120-K139 PolarHBondContact O-NZ 3.38Å; L121-K139 HydrophobicContact CD2-CD 3.91Å; K135-K139 PolarHBondContact O-N 3.34Å; I136-K139 PolarHBondContact O-N 2.8Å; Q137-K139 VanDerWaalsContact C-N 3.26Å; Q137-K139 PolarHBondContact O-N 3.49Å |
| 140 | E | 90.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 46.1 Ų | 46.1 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -122.7 | -6.1 | -168.4 | -62.4 | -71.1 | 139.6 | 0 | 0 | 113.5 | K117 I119 I136 I142 | K117-E140 VanDerWaalsContact CE-OE1 3.32Å; K117-E140 WeakPolarHBondContact CE-OE1 3.46Å; K117-E140 IonicContact NZ-OE1 2.67Å; K117-E140 PolarHBondContact NZ-OE1 2.87Å; K117-E140 IonicContact NZ-OE2 2.78Å; K117-E140 PolarHBondContact NZ-OE2 2.96Å; I119-E140 HydrophobicContact CD1-CG 3.59Å; I119-E140 HydrophobicContact CG1-CG 4.02Å; I136-E140 WeakPolarHBondContact O-CB 3.5Å; I136-E140 PolarHBondContact O-N 3.2Å; E140-I142 HydrophobicContact CB-CD1 3.78Å; E140-I142 HydrophobicContact CB-CG1 3.91Å; E140-I142 PolarHBondContact O-N 2.75Å |
| 141 | G | 85.8 | Confident | 91 | Very high | 58 Ų | 58 | 42.5 Ų | 42.5 | 60% | 0.598 | 23% | 0.225 | S | C | * | . | trans | 72.4 | 11.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q137 P143 | Q137-G141 WeakPolarHBondContact O-CA 3.15Å; Q137-G141 PolarHBondContact O-N 2.86Å; G141-P143 WeakPolarHBondContact O-CD 3.14Å | ||
| 142 | I | 87.4 | Confident | 91.2 | Very high | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.138 | 24% | 0.24 | C | C | . | . | trans | -88.3 | 119.8 | -173.9 | -56.6 | 170.4 | 0 | 0 | 0 | 109.4 | Q137 E140 Q146 Q147 L175 L177 | Q137-I142 VanDerWaalsContact CA-O 3.3Å; Q137-I142 WeakPolarHBondContact CA-O 3.43Å; Q137-I142 VanDerWaalsContact CB-O 3.23Å; Q137-I142 WeakPolarHBondContact CB-O 3.49Å; E140-I142 HydrophobicContact CB-CD1 3.78Å; E140-I142 HydrophobicContact CB-CG1 3.91Å; E140-I142 PolarHBondContact O-N 2.75Å; I142-Q146 HydrophobicContact CG2-CB 4.38Å; I142-Q147 HydrophobicContact CB-CG 4.42Å; I142-Q147 HydrophobicContact CG2-CG 3.71Å; I142-Q147 PolarHBondContact O-NE2 3.23Å; I142-L175 HydrophobicContact CD1-CD2 4.13Å; I142-L177 HydrophobicContact CD1-CD2 4.1Å; I142-L177 HydrophobicContact CG2-CD2 3.64Å | ||
| 143 | P | 87.2 | Confident | 91.1 | Very high | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -60.1 | 137.2 | 179.4 | -29 | 38.9 | 0 | 0 | 0 | 114 | G141 D145 Q146 Q147 | G141-P143 WeakPolarHBondContact O-CD 3.14Å; P143-D145 VanDerWaalsContact C-N 3.28Å; P143-D145 WeakPolarHBondContact CB-OD1 3.45Å; P143-D145 PolarHBondContact O-N 3.11Å; P143-Q146 HydrophobicContact CB-CG 4.24Å; P143-Q146 WeakPolarHBondContact O-CA 3.27Å; P143-Q146 WeakPolarHBondContact O-CB 3.46Å; P143-Q146 PolarHBondContact O-N 3.2Å; P143-Q147 WeakPolarHBondContact O-CG 3.41Å; P143-Q147 PolarHBondContact O-N 2.67Å | ||
| 144 | P | 89.3 | Confident | 91.1 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 13% | 0.13 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -52 | -35 | -178.3 | -31.6 | 35.1 | 0 | 0 | 0 | 116.1 | K133 Q137 Q146 Q147 E200 | K133-P144 HydrophobicContact CB-CB 3.84Å; K133-P144 HydrophobicContact CB-CG 4.37Å; K133-P144 HydrophobicContact CD-CB 4.24Å; K133-P144 WeakPolarHBondContact CD-O 3.27Å; K133-P144 WeakPolarHBondContact CE-O 3.42Å; K133-P144 PolarHBondContact NZ-O 3.32Å; Q137-P144 HydrophobicContact CB-CG 4.47Å; Q137-P144 VanDerWaalsContact CD-CD 3.48Å; Q137-P144 VanDerWaalsContact OE1-CG 3.3Å; P144-Q146 VanDerWaalsContact C-N 3.32Å; P144-Q147 WeakPolarHBondContact O-CB 3.35Å; P144-Q147 PolarHBondContact O-N 3.25Å; P144-Q147 VanDerWaalsContact O-N 3.13Å; P144-E200 VanDerWaalsContact CD-OE1 3.3Å; P144-E200 WeakPolarHBondContact CD-OE1 3.27Å |
| 145 | D | 85.4 | Confident | 91.3 | Very high | 49 Ų | 49 | 55.5 Ų | 55.5 | 26% | 0.262 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -68.3 | -31.3 | 177.5 | 70.1 | -48.4 | 0 | 0 | 0 | 112.4 | P143 Q147 G182 | P143-D145 VanDerWaalsContact C-N 3.28Å; P143-D145 WeakPolarHBondContact CB-OD1 3.45Å; P143-D145 PolarHBondContact O-N 3.11Å; D145-Q147 VanDerWaalsContact C-N 3.25Å; D145-Q147 PolarHBondContact O-N 3.1Å; D145-G182 WeakPolarHBondContact OD2-CA 3.27Å; D145-G182 PolarHBondContact OD2-N 3.16Å |
| 146 | Q | 88.6 | Confident | 91.6 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -77.5 | -13.5 | 173 | -61.8 | -180 | 18.6 | 0 | 0 | 112.2 | I142 P143 P144 L177 R178 E198 | I142-Q146 HydrophobicContact CG2-CB 4.38Å; P143-Q146 HydrophobicContact CB-CG 4.24Å; P143-Q146 WeakPolarHBondContact O-CA 3.27Å; P143-Q146 WeakPolarHBondContact O-CB 3.46Å; P143-Q146 PolarHBondContact O-N 3.2Å; P144-Q146 VanDerWaalsContact C-N 3.32Å; Q146-L177 CarbonylContact O-C 3.59Å; Q146-L177 WeakPolarHBondContact O-CA 3.21Å; Q146-R178 PolarHBondContact O-N 3.18Å; Q146-E198 VanDerWaalsContact NE2-CB 3.32Å; Q146-E198 VanDerWaalsContact NE2-CG 3.33Å |
| 147 | Q | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.1 | -178.2 | -61.1 | 177.3 | 39.1 | 0 | 0 | 111.8 | K133 I136 I142 P143 P144 D145 L175 R178 | K133-Q147 HydrophobicContact CD-CB 4.33Å; K133-Q147 WeakPolarHBondContact CE-O 3.38Å; K133-Q147 HydrophobicContact CG-CB 3.98Å; K133-Q147 PolarHBondContact NZ-O 3.16Å; K133-Q147 PolarHBondContact O-NE2 2.84Å; K133-Q147 PolarHBondContact O-OE1 3.15Å; I136-Q147 VanDerWaalsContact CB-OE1 3.29Å; I136-Q147 VanDerWaalsContact CD1-OE1 3.26Å; I142-Q147 HydrophobicContact CB-CG 4.42Å; I142-Q147 HydrophobicContact CG2-CG 3.71Å; I142-Q147 PolarHBondContact O-NE2 3.23Å; P143-Q147 WeakPolarHBondContact O-CG 3.41Å; P143-Q147 PolarHBondContact O-N 2.67Å; P144-Q147 WeakPolarHBondContact O-CB 3.35Å; P144-Q147 PolarHBondContact O-N 3.25Å; P144-Q147 VanDerWaalsContact O-N 3.13Å; D145-Q147 VanDerWaalsContact C-N 3.25Å; D145-Q147 PolarHBondContact O-N 3.1Å; Q147-L175 HydrophobicContact CB-CD1 3.74Å; Q147-L175 HydrophobicContact CG-CD1 3.97Å; Q147-R178 PolarHBondContact O-NH1 3.14Å |
| 148 | R | 94.7 | Very high | 91.9 | Very high | 93 Ų | 93 | 60 Ų | 60 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 108.5 | 165.3 | -178.7 | 178.2 | -108.3 | 162.7 | -0.1 | 108.9 | I150 Q155 V176 R178 | R148-I150 HydrophobicContact CG-CD1 4.47Å; R148-I150 HydrophobicContact CG-CG1 4.2Å; R148-Q155 HydrophobicContact CG-CG 3.97Å; R148-Q155 VanDerWaalsContact CZ-OE1 3.22Å; R148-V176 WeakPolarHBondContact CA-O 3.33Å; R148-V176 HydrophobicContact CB-CB 4.12Å; R148-V176 VanDerWaalsContact CB-O 3.24Å; R148-V176 WeakPolarHBondContact CB-O 3.46Å; R148-V176 PolarHBondContact N-O 3.42Å; R148-V176 PolarHBondContact O-N 3.32Å; R148-R178 HydrophobicContact CB-CG 4.38Å |
| 149 | L | 96.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.1 | 173.7 | -63.8 | 176.8 | 0 | 0 | 0 | 110.7 | V111 I129 V132 K133 I136 L156 L173 H174 L175 | V111-L149 HydrophobicContact CG1-CD2 4.07Å; I129-L149 HydrophobicContact CG2-CD1 4.24Å; V132-L149 HydrophobicContact CB-CD1 4.33Å; V132-L149 HydrophobicContact CG1-CD1 3.73Å; K133-L149 HydrophobicContact CG-CD1 3.97Å; K133-L149 HydrophobicContact CG-CG 4.49Å; I136-L149 HydrophobicContact CD1-CD1 4.07Å; I136-L149 HydrophobicContact CD1-CD2 3.71Å; I136-L149 HydrophobicContact CD1-CG 4.39Å; L149-L156 HydrophobicContact CB-CB 4.26Å; L149-L156 HydrophobicContact CB-CD1 3.93Å; L149-L156 HydrophobicContact CB-CG 4.28Å; L149-L156 PolarHBondContact O-N 2.98Å; L149-L173 HydrophobicContact CB-CD2 4.49Å; L149-L173 HydrophobicContact CD1-CD2 4.34Å; L149-H174 CarbonylContact C-O 3.6Å; L149-H174 WeakPolarHBondContact CA-O 3.47Å; L149-L175 HydrophobicContact CD2-CB 4.19Å; L149-L175 HydrophobicContact CD2-CD1 3.92Å |
| 150 | I | 97.3 | Very high | 92.8 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 130.9 | -178.9 | -56.2 | 172.3 | 0 | 0 | 0 | 108.6 | R148 K154 L173 H174 V176 | R148-I150 HydrophobicContact CG-CD1 4.47Å; R148-I150 HydrophobicContact CG-CG1 4.2Å; I150-K154 CarbonylContact C-O 3.57Å; I150-K154 VanDerWaalsContact CA-O 3.28Å; I150-K154 WeakPolarHBondContact CA-O 3.27Å; I150-K154 WeakPolarHBondContact CG2-O 3.39Å; I150-L173 CarbonylContact O-C 3.55Å; I150-L173 WeakPolarHBondContact O-CA 3.24Å; I150-H174 HydrophobicContact CB-CB 4.28Å; I150-H174 PolarHBondContact N-O 3.46Å; I150-H174 PolarHBondContact O-N 3.25Å; I150-V176 HydrophobicContact CD1-CG2 3.81Å |
| 151 | F | 97.8 | Very high | 93.2 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 18% | 0.175 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 135.5 | 173.9 | -177.1 | -114 | 0 | 0 | 0 | 109.9 | G153 K154 L156 I167 L173 | F151-G153 PolarHBondContact O-N 3.38Å; F151-G153 VanDerWaalsContact O-N 3.09Å; F151-K154 PolarHBondContact N-O 2.68Å; F151-K154 PolarHBondContact O-N 3.44Å; F151-L156 HydrophobicContact CB-CD1 4.15Å; F151-L156 HydrophobicContact CB-CD2 3.86Å; F151-L156 HydrophobicContact CB-CG 4.3Å; F151-I167 HydrophobicContact CB-CD1 4.28Å; F151-I167 HydrophobicContact CD1-CD1 4.08Å; F151-I167 HydrophobicContact CD1-CG1 3.5Å; F151-I167 VanDerWaalsContact CD1-CG1 3.5Å; F151-I167 HydrophobicContact CD2-CG1 4.29Å; F151-I167 HydrophobicContact CE1-CG1 3.59Å; F151-I167 HydrophobicContact CE2-CG1 4.38Å; F151-I167 HydrophobicContact CG-CD1 4.12Å; F151-I167 HydrophobicContact CG-CG1 3.86Å; F151-I167 HydrophobicContact CZ-CG1 4.05Å; F151-L173 HydrophobicContact CB-CG 4.33Å; F151-L173 HydrophobicContact CD2-CD1 4.09Å; F151-L173 HydrophobicContact CD2-CG 4.39Å |
| 152 | A | 95 | Very high | 93.7 | Very high | 86 Ų | 86 | 52 Ų | 52 | 71% | 0.711 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 39 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K154 | A152-K154 PolarHBondContact O-N 2.86Š|
| 153 | G | 93.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 77% | 0.773 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 0.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | F151 | F151-G153 PolarHBondContact O-N 3.38Å; F151-G153 VanDerWaalsContact O-N 3.09Å |
| 154 | K | 95 | Very high | 94.6 | Very high | 141 Ų | 141 | 58 Ų | 58 | 61% | 0.613 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.3 | 177.6 | -63.2 | -175.7 | 179.9 | 178.5 | 0 | 111 | I150 F151 A152 | I150-K154 CarbonylContact C-O 3.57Å; I150-K154 VanDerWaalsContact CA-O 3.28Å; I150-K154 WeakPolarHBondContact CA-O 3.27Å; I150-K154 WeakPolarHBondContact CG2-O 3.39Å; F151-K154 PolarHBondContact N-O 2.68Å; F151-K154 PolarHBondContact O-N 3.44Å; A152-K154 PolarHBondContact O-N 2.86Å |
| 155 | Q | 95.8 | Very high | 95 | Very high | 90 Ų | 90 | 58.8 Ų | 58.8 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133.2 | 168 | -169.7 | -168.5 | -59.6 | 0 | 0 | 108.9 | R148 R178 | R148-Q155 HydrophobicContact CG-CG 3.97Å; R148-Q155 VanDerWaalsContact CZ-OE1 3.22Å; Q155-R178 VanDerWaalsContact CD-NH2 3.33Å |
| 156 | L | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.016 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 144.9 | 176.5 | -54.1 | -174 | 0 | 0 | 0 | 110.7 | I129 L149 F151 Y165 I167 L173 | I129-L156 HydrophobicContact CD1-CB 3.93Å; I129-L156 HydrophobicContact CD1-CD1 3.58Å; I129-L156 HydrophobicContact CD1-CG 4.29Å; I129-L156 HydrophobicContact CG1-CB 3.9Å; I129-L156 HydrophobicContact CG1-CD1 4.48Å; I129-L156 HydrophobicContact CG2-CB 3.86Å; L149-L156 HydrophobicContact CB-CB 4.26Å; L149-L156 HydrophobicContact CB-CD1 3.93Å; L149-L156 HydrophobicContact CB-CG 4.28Å; L149-L156 PolarHBondContact O-N 2.98Å; F151-L156 HydrophobicContact CB-CD1 4.15Å; F151-L156 HydrophobicContact CB-CD2 3.86Å; F151-L156 HydrophobicContact CB-CG 4.3Å; L156-Y165 HydrophobicContact CB-CE2 4.17Å; L156-Y165 HydrophobicContact CD2-CD1 3.7Å; L156-Y165 HydrophobicContact CD2-CD2 3.69Å; L156-Y165 HydrophobicContact CD2-CE1 3.79Å; L156-Y165 HydrophobicContact CD2-CE2 3.74Å; L156-Y165 HydrophobicContact CD2-CG 3.65Å; L156-I167 HydrophobicContact CD1-CD1 3.88Å; L156-I167 HydrophobicContact CD2-CD1 4.48Å; L156-L173 HydrophobicContact CD1-CD2 3.59Å; L156-L173 HydrophobicContact CD1-CG 4.18Å |
| 157 | E | 96.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 46% | 0.463 | 34% | 0.343 | S | S | . | . | trans | -104.9 | 134.7 | -179.4 | -66.9 | 167.9 | -163.7 | 0 | 0 | 110.2 | I129 G159 R160 Y165 | I129-E157 VanDerWaalsContact CB-O 3.27Å; I129-E157 WeakPolarHBondContact CB-O 3.23Å; I129-E157 VanDerWaalsContact CG1-O 3.25Å; I129-E157 WeakPolarHBondContact CG1-O 3.38Å; E157-G159 VanDerWaalsContact C-N 3.29Å; E157-G159 PolarHBondContact O-N 3.3Å; E157-R160 HydrophobicContact CB-CG 4.33Å; E157-R160 PolarHBondContact O-N 2.95Å; E157-R160 VanDerWaalsContact O-N 3.12Å; E157-R160 IonicContact OE1-NH2 3.52Å; E157-R160 IonicContact OE2-CZ 3.31Å; E157-R160 VanDerWaalsContact OE2-CZ 3.31Å; E157-R160 IonicContact OE2-NE 2.82Å; E157-R160 PolarHBondContact OE2-NE 3.1Å; E157-R160 IonicContact OE2-NH2 2.97Å; E157-R160 PolarHBondContact OE2-NH2 3.11Å; E157-Y165 WeakPolarHBondContact CB-OH 3.3Å; E157-Y165 PolarHBondContact N-OH 2.82Å | ||
| 158 | D | 93.2 | Very high | 96 | Very high | 68 Ų | 68 | 65.8 Ų | 65.8 | 36% | 0.364 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -36.9 | -169.2 | -68.5 | -0.6 | 0 | 0 | 0 | 113.6 | I129 E130 K133 R160 | I129-D158 PolarHBondContact N-O 3.21Å; E130-D158 HydrophobicContact CB-CB 4.26Å; E130-D158 PolarHBondContact N-O 3.32Å; E130-D158 VanDerWaalsContact N-O 3.17Å; K133-D158 WeakPolarHBondContact CE-OD1 3.15Å; K133-D158 IonicContact NZ-OD1 3.1Å; K133-D158 PolarHBondContact NZ-OD1 3.02Å; K133-D158 IonicContact NZ-OD2 2.8Å; K133-D158 PolarHBondContact NZ-OD2 3.11Å; D158-R160 PolarHBondContact O-N 3.46Å |
| 159 | G | 94.3 | Very high | 95.9 | Very high | 74 Ų | 74 | 67.1 Ų | 67.1 | 76% | 0.763 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 1.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E157 | E157-G159 VanDerWaalsContact C-N 3.29Å; E157-G159 PolarHBondContact O-N 3.3Å |
| 160 | R | 97.1 | Very high | 95.8 | Very high | 106 Ų | 106 | 72.9 Ų | 72.9 | 40% | 0.4 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -100.5 | 159.7 | 176.1 | -65.7 | -161.6 | -157.5 | -156.9 | -0.5 | 111.4 | T128 I129 E157 D158 D164 Y165 | T128-R160 CarbonylContact C-O 3.6Å; T128-R160 VanDerWaalsContact CA-O 3.26Å; T128-R160 WeakPolarHBondContact CA-O 3.14Å; I129-R160 WeakPolarHBondContact CG1-O 3.39Å; I129-R160 PolarHBondContact N-O 2.97Å; E157-R160 HydrophobicContact CB-CG 4.33Å; E157-R160 PolarHBondContact O-N 2.95Å; E157-R160 VanDerWaalsContact O-N 3.12Å; E157-R160 IonicContact OE1-NH2 3.52Å; E157-R160 IonicContact OE2-CZ 3.31Å; E157-R160 VanDerWaalsContact OE2-CZ 3.31Å; E157-R160 IonicContact OE2-NE 2.82Å; E157-R160 PolarHBondContact OE2-NE 3.1Å; E157-R160 IonicContact OE2-NH2 2.97Å; E157-R160 PolarHBondContact OE2-NH2 3.11Å; D158-R160 PolarHBondContact O-N 3.46Å; R160-D164 HydrophobicContact CB-CB 4.21Å; R160-Y165 HydrophobicContact CB-CD2 4.28Å; R160-Y165 HydrophobicContact CB-CE2 3.57Å; R160-Y165 WeakPolarHBondContact CD-OH 2.85Å; R160-Y165 HydrophobicContact CG-CE2 4.3Å |
| 161 | T | 97.5 | Very high | 95.8 | Very high | 27 Ų | 27 | 71.8 Ų | 71.8 | 17% | 0.166 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 169.2 | 177.7 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | S126 D127 S163 D164 Y165 | S126-T161 WeakPolarHBondContact O-CG2 3.22Å; D127-T161 CarbonylContact O-C 3.52Å; D127-T161 WeakPolarHBondContact O-CA 3.08Å; T161-S163 VanDerWaalsContact C-N 3.29Å; T161-S163 PolarHBondContact O-N 3.34Å; T161-S163 PolarHBondContact OG1-N 3.48Å; T161-S163 PolarHBondContact OG1-OG 3.38Å; T161-D164 PolarHBondContact N-OD2 2.67Å; T161-D164 PolarHBondContact O-N 3.29Å; T161-D164 PolarHBondContact OG1-N 2.78Å; T161-D164 PolarHBondContact OG1-OD2 3.41Å; T161-Y165 WeakPolarHBondContact O-CD2 3.4Å |
| 162 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -39.4 | 168 | -68.7 | -176.7 | 0 | 0 | 0 | 112.1 | M107 I109 V123 D127 I129 V132 Y165 N166 I167 | M107-L162 HydrophobicContact CE-CD1 4.3Å; I109-L162 HydrophobicContact CD1-CD1 4.16Å; I109-L162 HydrophobicContact CD1-CD2 4.31Å; V123-L162 HydrophobicContact CB-CD1 3.58Å; V123-L162 HydrophobicContact CG1-CD1 4.1Å; V123-L162 HydrophobicContact CG2-CD1 3.44Å; V123-L162 VanDerWaalsContact CG2-CD1 3.44Å; D127-L162 HydrophobicContact CB-CD1 4.31Å; D127-L162 PolarHBondContact O-N 3.23Å; I129-L162 HydrophobicContact CD1-CD2 3.96Å; V132-L162 HydrophobicContact CG2-CD1 4.07Å; V132-L162 HydrophobicContact CG2-CD2 3.95Å; V132-L162 HydrophobicContact CG2-CG 4.07Å; L162-Y165 PolarHBondContact O-N 3.35Å; L162-N166 PolarHBondContact O-N 3.07Å; L162-I167 HydrophobicContact CB-CB 4.17Å; L162-I167 HydrophobicContact CD2-CB 4.13Å; L162-I167 HydrophobicContact CD2-CD1 3.56Å; L162-I167 HydrophobicContact CD2-CG1 4.44Å; L162-I167 HydrophobicContact CD2-CG2 4.04Å; L162-I167 WeakPolarHBondContact O-CB 3.02Å; L162-I167 PolarHBondContact O-N 3.12Å |
| 163 | S | 96.1 | Very high | 95.9 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -65.3 | -35.9 | 178.2 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | P125 T161 Y165 N166 | P125-S163 VanDerWaalsContact O-CB 3.3Å; P125-S163 WeakPolarHBondContact O-CB 3.39Å; P125-S163 PolarHBondContact O-N 3.33Å; P125-S163 PolarHBondContact O-OG 3.25Å; T161-S163 VanDerWaalsContact C-N 3.29Å; T161-S163 PolarHBondContact O-N 3.34Å; T161-S163 PolarHBondContact OG1-N 3.48Å; T161-S163 PolarHBondContact OG1-OG 3.38Å; S163-Y165 PolarHBondContact O-N 3.37Å; S163-N166 WeakPolarHBondContact O-CA 3.48Å; S163-N166 PolarHBondContact O-N 3.01Å |
| 164 | D | 97.4 | Very high | 96.2 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 53% | 0.529 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -59.4 | -32.2 | 175.9 | -70 | -27.2 | 0 | 0 | 0 | 112.5 | R160 T161 | R160-D164 HydrophobicContact CB-CB 4.21Å; T161-D164 PolarHBondContact N-OD2 2.67Å; T161-D164 PolarHBondContact O-N 3.29Å; T161-D164 PolarHBondContact OG1-N 2.78Å; T161-D164 PolarHBondContact OG1-OD2 3.41Å |
| 165 | Y | 97.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 63.1 Ų | 63.1 | 14% | 0.141 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -92.5 | 3.4 | 176.1 | -70.4 | -70.3 | 0 | 0 | 0 | 113.6 | I129 L156 E157 R160 T161 L162 S163 I167 | I129-Y165 HydrophobicContact CD1-CD2 4.27Å; I129-Y165 HydrophobicContact CD1-CE2 4.35Å; I129-Y165 HydrophobicContact CG1-CD2 4.38Å; I129-Y165 HydrophobicContact CG1-CE2 4.01Å; L156-Y165 HydrophobicContact CB-CE2 4.17Å; L156-Y165 HydrophobicContact CD2-CD1 3.7Å; L156-Y165 HydrophobicContact CD2-CD2 3.69Å; L156-Y165 HydrophobicContact CD2-CE1 3.79Å; L156-Y165 HydrophobicContact CD2-CE2 3.74Å; L156-Y165 HydrophobicContact CD2-CG 3.65Å; E157-Y165 WeakPolarHBondContact CB-OH 3.3Å; E157-Y165 PolarHBondContact N-OH 2.82Å; R160-Y165 HydrophobicContact CB-CD2 4.28Å; R160-Y165 HydrophobicContact CB-CE2 3.57Å; R160-Y165 WeakPolarHBondContact CD-OH 2.85Å; R160-Y165 HydrophobicContact CG-CE2 4.3Å; T161-Y165 WeakPolarHBondContact O-CD2 3.4Å; L162-Y165 PolarHBondContact O-N 3.35Å; S163-Y165 PolarHBondContact O-N 3.37Å; Y165-I167 PolarHBondContact O-N 2.72Å |
| 166 | N | 96.7 | Very high | 96.1 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.9 | -172.4 | -169.6 | 35.3 | 0 | 0 | 0 | 112 | L162 S163 Q168 | L162-N166 PolarHBondContact O-N 3.07Å; S163-N166 WeakPolarHBondContact O-CA 3.48Å; S163-N166 PolarHBondContact O-N 3.01Å; N166-Q168 PolarHBondContact O-N 2.89Å; N166-Q168 PolarHBondContact OD1-NE2 2.84Å |
| 167 | I | 97 | Very high | 95.7 | Very high | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | trans | -77.6 | 118.4 | 172.9 | -65.9 | 166.8 | 0 | 0 | 0 | 106.9 | M107 I109 F151 L156 L162 Y165 L173 | M107-I167 HydrophobicContact CE-CG2 4.46Å; M107-I167 WeakPolarHBondContact CE-O 3.43Å; I109-I167 HydrophobicContact CG2-CG2 3.94Å; F151-I167 HydrophobicContact CB-CD1 4.28Å; F151-I167 HydrophobicContact CD1-CD1 4.08Å; F151-I167 HydrophobicContact CD1-CG1 3.5Å; F151-I167 VanDerWaalsContact CD1-CG1 3.5Å; F151-I167 HydrophobicContact CD2-CG1 4.29Å; F151-I167 HydrophobicContact CE1-CG1 3.59Å; F151-I167 HydrophobicContact CE2-CG1 4.38Å; F151-I167 HydrophobicContact CG-CD1 4.12Å; F151-I167 HydrophobicContact CG-CG1 3.86Å; F151-I167 HydrophobicContact CZ-CG1 4.05Å; L156-I167 HydrophobicContact CD1-CD1 3.88Å; L156-I167 HydrophobicContact CD2-CD1 4.48Å; L162-I167 HydrophobicContact CB-CB 4.17Å; L162-I167 HydrophobicContact CD2-CB 4.13Å; L162-I167 HydrophobicContact CD2-CD1 3.56Å; L162-I167 HydrophobicContact CD2-CG1 4.44Å; L162-I167 HydrophobicContact CD2-CG2 4.04Å; L162-I167 WeakPolarHBondContact O-CB 3.02Å; L162-I167 PolarHBondContact O-N 3.12Å; Y165-I167 PolarHBondContact O-N 2.72Å; I167-L173 HydrophobicContact CD1-CD1 4.24Å; I167-L173 HydrophobicContact CD1-CD2 4.34Å; I167-L173 HydrophobicContact CD1-CG 4.46Å; I167-L173 HydrophobicContact CG2-CD1 3.96Å | ||
| 168 | Q | 94.3 | Very high | 95.2 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | trans | -105.7 | 171.8 | -177.4 | -61.3 | -168.4 | -10.5 | 0 | 0 | 111.4 | N166 E170 S171 | N166-Q168 PolarHBondContact O-N 2.89Å; N166-Q168 PolarHBondContact OD1-NE2 2.84Å; Q168-E170 PolarHBondContact O-N 3.08Å; Q168-S171 PolarHBondContact N-OG 3.28Å; Q168-S171 WeakPolarHBondContact O-CB 3.29Å; Q168-S171 PolarHBondContact O-N 3.32Å; Q168-S171 PolarHBondContact O-OG 3.2Å | ||
| 169 | K | 92.9 | Very high | 93.9 | Very high | 122 Ų | 122 | 66.9 Ų | 66.9 | 53% | 0.53 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 138.9 | 170.7 | -178.4 | 172.5 | 177.7 | 174.9 | 0 | 110.5 | M107 Q108 S171 | M107-K169 HydrophobicContact CG-CB 4.08Å; Q108-K169 CarbonylContact O-C 3.52Å; K169-S171 PolarHBondContact O-N 3.49Å |
| 170 | E | 94.2 | Very high | 92.4 | Very high | 123 Ų | 123 | 73.6 Ų | 73.6 | 58% | 0.575 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 10.8 | -178 | -67 | 160.6 | -156 | 0 | 0 | 115.1 | Q108 F110 Q168 | Q108-E170 PolarHBondContact O-N 2.62Å; F110-E170 WeakPolarHBondContact CD2-O 3.45Å; F110-E170 HydrophobicContact CE2-CB 3.9Å; F110-E170 HydrophobicContact CE2-CG 3.99Å; F110-E170 HydrophobicContact CZ-CG 4.43Å; Q168-E170 PolarHBondContact O-N 3.08Å |
| 171 | S | 97.1 | Very high | 90.8 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 15% | 0.147 | 37% | 0.365 | C | S | . | . | trans | -62.5 | 147.3 | 171 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | F110 Q168 K169 | F110-S171 PolarHBondContact N-O 3Å; Q168-S171 PolarHBondContact N-OG 3.28Å; Q168-S171 WeakPolarHBondContact O-CB 3.29Å; Q168-S171 PolarHBondContact O-N 3.32Å; Q168-S171 PolarHBondContact O-OG 3.2Å; K169-S171 PolarHBondContact O-N 3.49Å | ||
| 172 | T | 97.6 | Very high | 89.8 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.3 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | F110 K112 | F110-T172 HydrophobicContact CB-CG2 4.34Å; F110-T172 CarbonylContact O-C 3.51Å; F110-T172 VanDerWaalsContact O-CA 3.31Å; F110-T172 WeakPolarHBondContact O-CA 3.45Å; K112-T172 HydrophobicContact CB-CG2 4.14Å |
| 173 | L | 97.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 152.7 | 170.7 | -74.3 | 64 | 0 | 0 | 0 | 109.3 | I109 F110 V111 K112 L149 I150 F151 L156 I167 | I109-L173 HydrophobicContact CD1-CD1 4.12Å; I109-L173 HydrophobicContact CD1-CD2 4.23Å; F110-L173 PolarHBondContact O-N 2.77Å; V111-L173 CarbonylContact C-O 3.51Å; V111-L173 WeakPolarHBondContact CA-O 3.42Å; V111-L173 HydrophobicContact CG2-CB 4.36Å; K112-L173 PolarHBondContact N-O 3.34Å; L149-L173 HydrophobicContact CB-CD2 4.49Å; L149-L173 HydrophobicContact CD1-CD2 4.34Å; I150-L173 CarbonylContact O-C 3.55Å; I150-L173 WeakPolarHBondContact O-CA 3.24Å; F151-L173 HydrophobicContact CB-CG 4.33Å; F151-L173 HydrophobicContact CD2-CD1 4.09Å; F151-L173 HydrophobicContact CD2-CG 4.39Å; L156-L173 HydrophobicContact CD1-CD2 3.59Å; L156-L173 HydrophobicContact CD1-CG 4.18Å; I167-L173 HydrophobicContact CD1-CD1 4.24Å; I167-L173 HydrophobicContact CD1-CD2 4.34Å; I167-L173 HydrophobicContact CD1-CG 4.46Å; I167-L173 HydrophobicContact CG2-CD1 3.96Å |
| 174 | H | 97.8 | Very high | 89 | Confident | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.44 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.8 | 172.4 | -67.2 | 73.9 | 0 | 0 | 0 | 109.9 | K112 L149 I150 | K112-H174 CarbonylContact O-C 3.56Å; K112-H174 WeakPolarHBondContact O-CA 3.4Å; L149-H174 CarbonylContact C-O 3.6Å; L149-H174 WeakPolarHBondContact CA-O 3.47Å; I150-H174 HydrophobicContact CB-CB 4.28Å; I150-H174 PolarHBondContact N-O 3.46Å; I150-H174 PolarHBondContact O-N 3.25Å |
| 175 | L | 96 | Very high | 88.9 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 119.4 | 174.7 | 176.2 | 62.2 | 0 | 0 | 0 | 110.2 | V111 K112 T113 I136 I142 Q147 L149 L177 | V111-L175 HydrophobicContact CG1-CB 3.54Å; V111-L175 HydrophobicContact CG1-CD2 4.36Å; K112-L175 PolarHBondContact O-N 3.06Å; T113-L175 HydrophobicContact CG2-CD2 4.3Å; I136-L175 HydrophobicContact CG2-CD2 4Å; I142-L175 HydrophobicContact CD1-CD2 4.13Å; Q147-L175 HydrophobicContact CB-CD1 3.74Å; Q147-L175 HydrophobicContact CG-CD1 3.97Å; L149-L175 HydrophobicContact CD2-CB 4.19Å; L149-L175 HydrophobicContact CD2-CD1 3.92Å; L175-L177 HydrophobicContact CD1-CD2 4.27Å; L175-L177 HydrophobicContact CD2-CD2 4.18Å; L175-L177 HydrophobicContact CG-CD2 4.1Å |
| 176 | V | 93.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 67 Ų | 67 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.1 | 170.4 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | L114 R148 I150 | L114-V176 HydrophobicContact CD1-CB 4.48Å; L114-V176 HydrophobicContact CD1-CG1 4.14Å; L114-V176 HydrophobicContact CD1-CG2 4.26Å; L114-V176 HydrophobicContact CD2-CG2 4.14Å; L114-V176 HydrophobicContact CG-CG2 4.26Å; R148-V176 WeakPolarHBondContact CA-O 3.33Å; R148-V176 HydrophobicContact CB-CB 4.12Å; R148-V176 VanDerWaalsContact CB-O 3.24Å; R148-V176 WeakPolarHBondContact CB-O 3.46Å; R148-V176 PolarHBondContact N-O 3.42Å; R148-V176 PolarHBondContact O-N 3.32Å; I150-V176 HydrophobicContact CD1-CG2 3.81Å |
| 177 | L | 89.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 61.7 Ų | 61.7 | 48% | 0.482 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.9 | 178.1 | -57.3 | -176.6 | 0 | 0 | 0 | 110.7 | I142 Q146 L175 | I142-L177 HydrophobicContact CD1-CD2 4.1Å; I142-L177 HydrophobicContact CG2-CD2 3.64Å; Q146-L177 CarbonylContact O-C 3.59Å; Q146-L177 WeakPolarHBondContact O-CA 3.21Å; L175-L177 HydrophobicContact CD1-CD2 4.27Å; L175-L177 HydrophobicContact CD2-CD2 4.18Å; L175-L177 HydrophobicContact CG-CD2 4.1Å |
| 178 | R | 83.8 | Confident | 88.9 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 25% | 0.245 | 33% | 0.326 | C | S | . | . | trans | -93.4 | 135.6 | 167.4 | -60.8 | -171.7 | -178.4 | 95.5 | -8 | 108.4 | Q146 Q147 R148 Q155 | Q146-R178 PolarHBondContact O-N 3.18Å; Q147-R178 PolarHBondContact O-NH1 3.14Å; R148-R178 HydrophobicContact CB-CG 4.38Å; Q155-R178 VanDerWaalsContact CD-NH2 3.33Å | ||
| 179 | L | 67.9 | Low | 88.8 | Confident | 145 Ų | 145 | 61.4 Ų | 61.4 | 76% | 0.759 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -86.8 | -14.9 | -173.7 | -72.5 | 171.9 | 0 | 0 | 0 | 114.6 | ||
| 180 | R | 60.7 | Low | 88.5 | Confident | 215 Ų | 215 | 62 Ų | 62 | 81% | 0.811 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -158.3 | 98.2 | -170.1 | -57.4 | -177.3 | -165.2 | 169 | 5.5 | 111.1 | ||
| 181 | G | 64.7 | Low | 88.2 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | trans | -151.4 | -22 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 182 | G | 75.7 | Confident | 87.8 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -90.2 | -176 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | D145 Q184 | D145-G182 WeakPolarHBondContact OD2-CA 3.27Å; D145-G182 PolarHBondContact OD2-N 3.16Å; G182-Q184 PolarHBondContact O-N 3.05Å |
| 183 | M | 87.8 | Confident | 87.6 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 13% | 0.133 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 111 | 166.6 | 168.5 | 172.1 | 165.7 | 0 | 0 | 108.5 | I185 V199 P201 L238 I243 K245 | M183-I185 HydrophobicContact CE-CG2 4.02Å; M183-V199 WeakPolarHBondContact CB-O 3.43Å; M183-V199 HydrophobicContact CE-CG2 4.17Å; M183-V199 HydrophobicContact CG-CG2 3.99Å; M183-V199 WeakPolarHBondContact O-CG2 3.44Å; M183-V199 PolarHBondContact O-N 2.9Å; M183-P201 HydrophobicContact SD-CG 3.78Å; M183-L238 HydrophobicContact CE-CD1 4.27Å; M183-I243 HydrophobicContact CE-CG2 4.39Å; M183-I243 WeakPolarHBondContact CE-O 3.43Å; M183-K245 HydrophobicContact CG-CB 4.2Å |
| 184 | Q | 89.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 69 Ų | 69 | 22% | 0.22 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 143.1 | 172.8 | -70.6 | 177.6 | 10.2 | 0 | 0 | 110.1 | G182 T196 L197 E198 E246 | G182-Q184 PolarHBondContact O-N 3.05Å; Q184-T196 HydrophobicContact CB-CG2 4.15Å; Q184-T196 HydrophobicContact CG-CG2 4.16Å; Q184-L197 CarbonylContact C-O 3.59Å; Q184-L197 VanDerWaalsContact CA-O 3.24Å; Q184-L197 WeakPolarHBondContact CA-O 3.33Å; Q184-E198 HydrophobicContact CG-CG 4.33Å; Q184-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q184-E198 WeakPolarHBondContact CG-OE2 3.2Å; Q184-E198 PolarHBondContact NE2-OE1 3.18Å; Q184-E246 WeakPolarHBondContact O-CA 3.29Å; Q184-E246 PolarHBondContact O-N 3.05Å |
| 185 | I | 94.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 158.5 | 164.7 | 64.1 | 171.8 | 0 | 0 | 0 | 109.6 | M183 L197 V199 V208 L238 I243 L249 | M183-I185 HydrophobicContact CE-CG2 4.02Å; I185-L197 HydrophobicContact CG1-CB 3.99Å; I185-L197 PolarHBondContact N-O 3.37Å; I185-L197 PolarHBondContact O-N 3.41Å; I185-V199 HydrophobicContact CB-CG2 4.3Å; I185-V199 HydrophobicContact CD1-CG1 3.88Å; I185-V199 HydrophobicContact CD1-CG2 4.03Å; I185-V199 HydrophobicContact CG1-CG1 3.92Å; I185-V199 HydrophobicContact CG1-CG2 3.81Å; I185-V199 HydrophobicContact CG2-CG2 3.72Å; I185-V208 HydrophobicContact CD1-CG1 4.34Å; I185-L238 HydrophobicContact CD1-CD1 4.13Å; I185-L238 HydrophobicContact CD1-CD2 4.25Å; I185-I243 HydrophobicContact CG2-CG2 3.88Å; I185-L249 HydrophobicContact CD1-CD1 4.13Å; I185-L249 HydrophobicContact CD1-CD2 4.24Å |
| 186 | F | 96.6 | Very high | 87 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.4 | 178 | -57.5 | -67.9 | 0 | 0 | 0 | 110.5 | T194 I195 T196 E246 S247 T248 L249 | F186-T194 HydrophobicContact CB-CG2 3.92Å; F186-T194 HydrophobicContact CD1-CG2 4.05Å; F186-T194 HydrophobicContact CG-CG2 4.29Å; F186-I195 CarbonylContact C-O 3.49Å; F186-I195 WeakPolarHBondContact CA-O 3.42Å; F186-T196 HydrophobicContact CD1-CG2 4.24Å; F186-T196 HydrophobicContact CE1-CG2 3.93Å; F186-E246 WeakPolarHBondContact CD2-O 3.42Å; F186-E246 HydrophobicContact CE2-CB 3.88Å; F186-E246 HydrophobicContact CE2-CG 3.98Å; F186-E246 HydrophobicContact CZ-CG 4.42Å; F186-S247 PolarHBondContact N-O 2.74Å; F186-T248 HydrophobicContact CB-CG2 4.38Å; F186-T248 CarbonylContact O-C 3.48Å; F186-T248 VanDerWaalsContact O-CA 3.32Å; F186-T248 WeakPolarHBondContact O-CA 3.44Å; F186-L249 PolarHBondContact O-N 3.41Å |
| 187 | V | 97.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 112.5 | 173.2 | -178 | 0 | 0 | 0 | 0 | 108.2 | I195 L197 I212 L225 L249 L251 | V187-I195 HydrophobicContact CB-CB 4.34Å; V187-I195 PolarHBondContact N-O 2.93Å; V187-I195 PolarHBondContact O-N 3.14Å; V187-L197 HydrophobicContact CG2-CD1 3.53Å; V187-L197 HydrophobicContact CG2-CG 4.12Å; V187-I212 HydrophobicContact CG1-CD1 4.12Å; V187-I212 HydrophobicContact CG2-CD1 4.2Å; V187-L225 HydrophobicContact CG1-CD2 4.13Å; V187-L249 CarbonylContact C-O 3.48Å; V187-L249 WeakPolarHBondContact CA-O 3.5Å; V187-L249 HydrophobicContact CG2-CB 4.37Å; V187-L251 HydrophobicContact CG1-CB 3.57Å; V187-L251 HydrophobicContact CG1-CD2 4.42Å |
| 188 | K | 96.8 | Very high | 86.7 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.9 | 175.2 | -76.7 | -172.9 | 179.2 | -179.4 | 0 | 110.5 | K193 T194 T248 L249 H250 L251 | K188-K193 WeakPolarHBondContact CA-O 3.38Å; K188-T194 HydrophobicContact CG-CG2 4.26Å; K188-T248 HydrophobicContact CB-CG2 4.36Å; K188-T248 HydrophobicContact CD-CG2 3.84Å; K188-T248 HydrophobicContact CG-CG2 3.81Å; K188-L249 PolarHBondContact N-O 3.4Å; K188-H250 WeakPolarHBondContact O-CA 3.44Å; K188-L251 PolarHBondContact O-N 3.31Å |
| 189 | T | 92.3 | Very high | 87 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 162.9 | 171.8 | 68.2 | 0 | 0 | 0 | 0 | 110.7 | T191 G192 K193 I195 L251 | T189-T191 PolarHBondContact O-N 2.93Å; T189-T191 PolarHBondContact OG1-N 3.18Å; T189-T191 PolarHBondContact OG1-OG1 3.4Å; T189-G192 PolarHBondContact O-N 2.85Å; T189-K193 HydrophobicContact CG2-CB 4.37Å; T189-K193 PolarHBondContact N-O 3.3Å; T189-K193 WeakPolarHBondContact OG1-CB 3.35Å; T189-K193 PolarHBondContact OG1-N 2.86Å; T189-K193 VanDerWaalsContact OG1-N 3.17Å; T189-K193 PolarHBondContact OG1-O 2.9Å; T189-I195 HydrophobicContact CG2-CD1 3.82Å; T189-L251 HydrophobicContact CG2-CD2 4.36Å |
| 190 | L | 86.6 | Confident | 88 | Confident | 136 Ų | 136 | 54.9 Ų | 54.9 | 71% | 0.712 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22.7 | 171.3 | -67.8 | 175.7 | 0 | 0 | 0 | 113.7 | G192 V252 | L190-G192 PolarHBondContact O-N 2.74Å; L190-V252 HydrophobicContact CD1-CG1 4.23Å; L190-V252 HydrophobicContact CD2-CG2 4.28Å |
| 191 | T | 87.9 | Confident | 89.4 | Confident | 125 Ų | 125 | 47.9 Ų | 47.9 | 77% | 0.767 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -2.6 | 175.7 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | T189 K193 | T189-T191 PolarHBondContact O-N 2.93Å; T189-T191 PolarHBondContact OG1-N 3.18Å; T189-T191 PolarHBondContact OG1-OG1 3.4Å; T191-K193 VanDerWaalsContact C-N 3.32Å |
| 192 | G | 87.9 | Confident | 90.6 | Very high | 58 Ų | 58 | 48.6 Ų | 48.6 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 84.9 | -1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | T189 L190 | T189-G192 PolarHBondContact O-N 2.85Å; L190-G192 PolarHBondContact O-N 2.74Å |
| 193 | K | 93.6 | Very high | 91.4 | Very high | 100 Ų | 100 | 48.3 Ų | 48.3 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | trans | -68.3 | 133.9 | 174.2 | -176.1 | 179.9 | 173.5 | -174.1 | 0 | 109.4 | K188 T189 T191 E216 | K188-K193 WeakPolarHBondContact CA-O 3.38Å; T189-K193 HydrophobicContact CG2-CB 4.37Å; T189-K193 PolarHBondContact N-O 3.3Å; T189-K193 WeakPolarHBondContact OG1-CB 3.35Å; T189-K193 PolarHBondContact OG1-N 2.86Å; T189-K193 VanDerWaalsContact OG1-N 3.17Å; T189-K193 PolarHBondContact OG1-O 2.9Å; T191-K193 VanDerWaalsContact C-N 3.32Å; K193-E216 WeakPolarHBondContact CE-OE1 3.33Å; K193-E216 IonicContact NZ-OE1 3.54Å; K193-E216 PolarHBondContact NZ-OE1 3.28Å; K193-E216 IonicContact NZ-OE2 2.67Å; K193-E216 PolarHBondContact NZ-OE2 3.46Å | ||
| 194 | T | 94.4 | Very high | 91.7 | Very high | 69 Ų | 69 | 48.8 Ų | 48.8 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 122.9 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | F186 K188 | F186-T194 HydrophobicContact CB-CG2 3.92Å; F186-T194 HydrophobicContact CD1-CG2 4.05Å; F186-T194 HydrophobicContact CG-CG2 4.29Å; K188-T194 HydrophobicContact CG-CG2 4.26Å |
| 195 | I | 92.9 | Very high | 92 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 132.4 | 177.2 | -55.2 | 150.8 | 0 | 0 | 0 | 107.3 | F186 V187 T189 L197 K215 E216 | F186-I195 CarbonylContact C-O 3.49Å; F186-I195 WeakPolarHBondContact CA-O 3.42Å; V187-I195 HydrophobicContact CB-CB 4.34Å; V187-I195 PolarHBondContact N-O 2.93Å; V187-I195 PolarHBondContact O-N 3.14Å; T189-I195 HydrophobicContact CG2-CD1 3.82Å; I195-L197 HydrophobicContact CG2-CD2 3.99Å; I195-L197 HydrophobicContact CG2-CG 4.45Å; I195-K215 HydrophobicContact CG2-CD 4.12Å; I195-E216 HydrophobicContact CD1-CG 3.53Å; I195-E216 HydrophobicContact CG1-CG 4.06Å |
| 196 | T | 92.4 | Very high | 92.1 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.8 | 172.8 | -50.9 | 0 | 0 | 0 | 0 | 109.1 | Q184 F186 K215 | Q184-T196 HydrophobicContact CB-CG2 4.15Å; Q184-T196 HydrophobicContact CG-CG2 4.16Å; F186-T196 HydrophobicContact CD1-CG2 4.24Å; F186-T196 HydrophobicContact CE1-CG2 3.93Å; T196-K215 PolarHBondContact O-NZ 3Å |
| 197 | L | 90.1 | Very high | 91.9 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 138.9 | 175.6 | -60.7 | -179.6 | 0 | 0 | 0 | 109.9 | Q184 I185 V187 I195 V199 V208 K211 I212 K215 | Q184-L197 CarbonylContact C-O 3.59Å; Q184-L197 VanDerWaalsContact CA-O 3.24Å; Q184-L197 WeakPolarHBondContact CA-O 3.33Å; I185-L197 HydrophobicContact CG1-CB 3.99Å; I185-L197 PolarHBondContact N-O 3.37Å; I185-L197 PolarHBondContact O-N 3.41Å; V187-L197 HydrophobicContact CG2-CD1 3.53Å; V187-L197 HydrophobicContact CG2-CG 4.12Å; I195-L197 HydrophobicContact CG2-CD2 3.99Å; I195-L197 HydrophobicContact CG2-CG 4.45Å; L197-V199 HydrophobicContact CB-CG1 4Å; L197-V208 HydrophobicContact CD1-CG1 3.9Å; L197-K211 HydrophobicContact CD2-CB 4.26Å; L197-I212 HydrophobicContact CD1-CD1 4.15Å; L197-I212 HydrophobicContact CD1-CG1 3.6Å; L197-I212 HydrophobicContact CD2-CG1 4.4Å; L197-K215 HydrophobicContact CD2-CD 3.92Å |
| 198 | E | 87.2 | Confident | 91.7 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.126 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.4 | 170 | -65.7 | -80.1 | -173.3 | 0 | 0 | 107.2 | Q146 Q184 K211 | Q146-E198 VanDerWaalsContact NE2-CB 3.32Å; Q146-E198 VanDerWaalsContact NE2-CG 3.33Å; Q184-E198 HydrophobicContact CG-CG 4.33Å; Q184-E198 WeakPolarHBondContact CG-OE1 3.41Å; Q184-E198 WeakPolarHBondContact CG-OE2 3.2Å; Q184-E198 PolarHBondContact NE2-OE1 3.18Å; E198-K211 PolarHBondContact O-NZ 3.36Å |
| 199 | V | 88.6 | Confident | 91.7 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 163.5 | -169.2 | -62.1 | 0 | 0 | 0 | 0 | 110.8 | M183 I185 L197 D203 V208 K211 L238 | M183-V199 WeakPolarHBondContact CB-O 3.43Å; M183-V199 HydrophobicContact CE-CG2 4.17Å; M183-V199 HydrophobicContact CG-CG2 3.99Å; M183-V199 WeakPolarHBondContact O-CG2 3.44Å; M183-V199 PolarHBondContact O-N 2.9Å; I185-V199 HydrophobicContact CB-CG2 4.3Å; I185-V199 HydrophobicContact CD1-CG1 3.88Å; I185-V199 HydrophobicContact CD1-CG2 4.03Å; I185-V199 HydrophobicContact CG1-CG1 3.92Å; I185-V199 HydrophobicContact CG1-CG2 3.81Å; I185-V199 HydrophobicContact CG2-CG2 3.72Å; L197-V199 HydrophobicContact CB-CG1 4Å; V199-D203 VanDerWaalsContact CA-OD2 3.26Å; V199-D203 WeakPolarHBondContact CA-OD2 3.4Å; V199-V208 HydrophobicContact CG1-CG2 4.35Å; V199-K211 HydrophobicContact CG1-CD 4.16Å; V199-L238 HydrophobicContact CB-CD1 3.56Å; V199-L238 HydrophobicContact CG1-CD1 4.1Å; V199-L238 HydrophobicContact CG2-CD1 3.38Å |
| 200 | E | 88.8 | Confident | 91.7 | Very high | 49 Ų | 49 | 49.7 Ų | 49.7 | 23% | 0.229 | 29% | 0.292 | C | S | . | . | trans | -110.9 | 151.9 | 169 | -64.9 | -177 | 166.4 | 0 | 0 | 110.4 | P144 S202 D203 | P144-E200 VanDerWaalsContact CD-OE1 3.3Å; P144-E200 WeakPolarHBondContact CD-OE1 3.27Å; E200-S202 PolarHBondContact O-N 2.74Å; E200-S202 VanDerWaalsContact O-N 3.12Å; E200-D203 PolarHBondContact N-OD2 3.44Å; E200-D203 VanDerWaalsContact O-CB 3.3Å; E200-D203 WeakPolarHBondContact O-CB 3.37Å; E200-D203 PolarHBondContact O-N 2.9Å | ||
| 201 | P | 91 | Very high | 92 | Very high | 68 Ų | 68 | 45 Ų | 45 | 44% | 0.442 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.1 | 175.6 | -24 | 32.7 | 0 | 0 | 0 | 113.5 | M183 L238 S239 | M183-P201 HydrophobicContact SD-CG 3.78Å; P201-L238 PolarHBondContact O-N 2.89Å; P201-S239 VanDerWaalsContact O-CB 3.31Å; P201-S239 WeakPolarHBondContact O-CB 3.43Å; P201-S239 PolarHBondContact O-N 2.83Å; P201-S239 PolarHBondContact O-OG 2.87Å |
| 202 | S | 90.1 | Very high | 92.2 | Very high | 72 Ų | 72 | 39 Ų | 39 | 50% | 0.503 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -13 | 176.5 | 43.4 | 0 | 0 | 0 | 0 | 114.2 | E200 T204 T237 | E200-S202 PolarHBondContact O-N 2.74Å; E200-S202 VanDerWaalsContact O-N 3.12Å; S202-T204 PolarHBondContact O-N 3.11Å; S202-T237 WeakPolarHBondContact O-CG2 3.29Å |
| 203 | D | 91.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 40 Ų | 40 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | trans | -59.7 | 129.8 | 179.8 | -86.2 | -29.4 | 0 | 0 | 0 | 110.1 | V199 E200 N207 V208 K211 T237 L238 | V199-D203 VanDerWaalsContact CA-OD2 3.26Å; V199-D203 WeakPolarHBondContact CA-OD2 3.4Å; E200-D203 PolarHBondContact N-OD2 3.44Å; E200-D203 VanDerWaalsContact O-CB 3.3Å; E200-D203 WeakPolarHBondContact O-CB 3.37Å; E200-D203 PolarHBondContact O-N 2.9Å; D203-N207 HydrophobicContact CB-CB 4.46Å; D203-V208 HydrophobicContact CB-CG2 4.27Å; D203-K211 WeakPolarHBondContact OD2-CE 3.32Å; D203-K211 IonicContact OD2-NZ 3.02Å; D203-K211 PolarHBondContact OD2-NZ 2.87Å; D203-T237 CarbonylContact O-C 3.52Å; D203-T237 VanDerWaalsContact O-CA 3.23Å; D203-T237 WeakPolarHBondContact O-CA 3.48Å; D203-L238 HydrophobicContact CB-CD1 4.35Å; D203-L238 PolarHBondContact O-N 2.94Å | ||
| 204 | T | 95.5 | Very high | 92.3 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.221 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -71.3 | 157.6 | 172.2 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | S202 E206 N207 V208 R236 | S202-T204 PolarHBondContact O-N 3.11Å; T204-E206 PolarHBondContact O-N 3.15Å; T204-N207 WeakPolarHBondContact O-CB 3.35Å; T204-N207 PolarHBondContact O-N 3.5Å; T204-N207 VanDerWaalsContact O-N 3.08Å; T204-N207 PolarHBondContact OG1-N 2.97Å; T204-N207 VanDerWaalsContact OG1-N 3.11Å; T204-N207 PolarHBondContact OG1-OD1 3.35Å; T204-V208 WeakPolarHBondContact O-CG2 3.46Å; T204-V208 PolarHBondContact O-N 3.32Å; T204-R236 CarbonylContact C-O 3.5Å; T204-R236 VanDerWaalsContact CA-O 3.24Å; T204-R236 WeakPolarHBondContact CA-O 3.37Å |
| 205 | I | 96.6 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.2 | -32.3 | 174.3 | -61.3 | -55.2 | 0 | 0 | 0 | 111.2 | V208 K209 L225 L232 E233 R236 L238 Y241 | I205-V208 PolarHBondContact O-N 2.99Å; I205-K209 VanDerWaalsContact O-CG 3.32Å; I205-K209 WeakPolarHBondContact O-CG 3.48Å; I205-K209 PolarHBondContact O-N 3.21Å; I205-L225 HydrophobicContact CG2-CD1 4.24Å; I205-L232 HydrophobicContact CD1-CB 3.88Å; I205-L232 HydrophobicContact CD1-CD1 3.62Å; I205-L232 HydrophobicContact CD1-CG 4.29Å; I205-L232 HydrophobicContact CG1-CB 3.89Å; I205-L232 HydrophobicContact CG2-CB 3.91Å; I205-E233 VanDerWaalsContact CB-O 3.27Å; I205-E233 WeakPolarHBondContact CB-O 3.42Å; I205-E233 VanDerWaalsContact CG1-O 3.23Å; I205-E233 WeakPolarHBondContact CG1-O 3.41Å; I205-R236 WeakPolarHBondContact CG1-O 3.22Å; I205-R236 PolarHBondContact N-O 2.92Å; I205-L238 HydrophobicContact CD1-CD2 4.03Å; I205-Y241 HydrophobicContact CD1-CD2 4.27Å; I205-Y241 HydrophobicContact CD1-CE2 4.32Å; I205-Y241 HydrophobicContact CG1-CD2 4.43Å; I205-Y241 HydrophobicContact CG1-CE2 4.02Å |
| 206 | E | 95.4 | Very high | 92 | Very high | 119 Ų | 119 | 46.6 Ų | 46.6 | 56% | 0.556 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.3 | -47.3 | 170 | -172 | 172.1 | -166.4 | 0 | 0 | 112.1 | T204 V208 K209 A210 D234 | T204-E206 PolarHBondContact O-N 3.15Å; E206-V208 VanDerWaalsContact C-N 3.33Å; E206-V208 PolarHBondContact O-N 2.75Å; E206-K209 WeakPolarHBondContact O-CB 3.46Å; E206-K209 PolarHBondContact O-N 3.14Å; E206-K209 VanDerWaalsContact O-N 3.16Å; E206-A210 PolarHBondContact O-N 2.93Å; E206-D234 HydrophobicContact CB-CB 4.32Å; E206-D234 PolarHBondContact N-O 2.96Å |
| 207 | N | 92.1 | Very high | 92 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 175.8 | -69.2 | -2.2 | 0 | 0 | 0 | 111.6 | D203 T204 K209 A210 K211 | D203-N207 HydrophobicContact CB-CB 4.46Å; T204-N207 WeakPolarHBondContact O-CB 3.35Å; T204-N207 PolarHBondContact O-N 3.5Å; T204-N207 VanDerWaalsContact O-N 3.08Å; T204-N207 PolarHBondContact OG1-N 2.97Å; T204-N207 VanDerWaalsContact OG1-N 3.11Å; T204-N207 PolarHBondContact OG1-OD1 3.35Å; N207-K209 VanDerWaalsContact C-N 3.31Å; N207-K209 PolarHBondContact O-N 2.74Å; N207-A210 WeakPolarHBondContact O-CB 3.25Å; N207-A210 PolarHBondContact O-N 3.08Å; N207-K211 WeakPolarHBondContact O-CG 3.31Å; N207-K211 PolarHBondContact O-N 2.87Å |
| 208 | V | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | I185 L197 V199 D203 T204 I205 E206 K211 I212 L225 L238 | I185-V208 HydrophobicContact CD1-CG1 4.34Å; L197-V208 HydrophobicContact CD1-CG1 3.9Å; V199-V208 HydrophobicContact CG1-CG2 4.35Å; D203-V208 HydrophobicContact CB-CG2 4.27Å; T204-V208 WeakPolarHBondContact O-CG2 3.46Å; T204-V208 PolarHBondContact O-N 3.32Å; I205-V208 PolarHBondContact O-N 2.99Å; E206-V208 VanDerWaalsContact C-N 3.33Å; E206-V208 PolarHBondContact O-N 2.75Å; V208-K211 PolarHBondContact O-N 3.44Å; V208-I212 HydrophobicContact CG1-CD1 4.41Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.11Å; V208-I212 VanDerWaalsContact O-N 3.09Å; V208-L225 HydrophobicContact CB-CD1 4.43Å; V208-L225 HydrophobicContact CG1-CD1 3.83Å; V208-L238 HydrophobicContact CG2-CD1 4.15Å; V208-L238 HydrophobicContact CG2-CD2 3.94Å; V208-L238 HydrophobicContact CG2-CG 4.1Å |
| 209 | K | 95.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.5 | -72 | 171.8 | 166.7 | -170.1 | 0 | 112.6 | I205 E206 N207 K211 I212 Q213 P220 Q223 L225 D234 | I205-K209 VanDerWaalsContact O-CG 3.32Å; I205-K209 WeakPolarHBondContact O-CG 3.48Å; I205-K209 PolarHBondContact O-N 3.21Å; E206-K209 WeakPolarHBondContact O-CB 3.46Å; E206-K209 PolarHBondContact O-N 3.14Å; E206-K209 VanDerWaalsContact O-N 3.16Å; N207-K209 VanDerWaalsContact C-N 3.31Å; N207-K209 PolarHBondContact O-N 2.74Å; K209-K211 VanDerWaalsContact C-N 3.33Å; K209-K211 PolarHBondContact O-N 2.88Å; K209-I212 WeakPolarHBondContact O-CB 3.4Å; K209-I212 PolarHBondContact O-N 2.61Å; K209-I212 VanDerWaalsContact O-N 3.17Å; K209-Q213 PolarHBondContact O-N 3.05Å; K209-P220 HydrophobicContact CB-CB 3.88Å; K209-P220 HydrophobicContact CB-CG 4.39Å; K209-P220 HydrophobicContact CD-CB 4.27Å; K209-P220 PolarHBondContact NZ-O 3.37Å; K209-Q223 VanDerWaalsContact CB-OE1 3.31Å; K209-Q223 HydrophobicContact CD-CB 4.31Å; K209-Q223 VanDerWaalsContact CE-O 3.22Å; K209-Q223 WeakPolarHBondContact CE-O 3.43Å; K209-Q223 HydrophobicContact CG-CB 4.05Å; K209-Q223 PolarHBondContact NZ-O 2.78Å; K209-Q223 PolarHBondContact O-NE2 3.31Å; K209-Q223 PolarHBondContact O-OE1 2.94Å; K209-L225 HydrophobicContact CG-CD1 3.96Å; K209-D234 WeakPolarHBondContact CE-OD1 3.15Å; K209-D234 VanDerWaalsContact NZ-CG 3.29Å; K209-D234 IonicContact NZ-OD1 2.74Å; K209-D234 PolarHBondContact NZ-OD1 2.93Å; K209-D234 IonicContact NZ-OD2 3.81Å; K209-D234 PolarHBondContact NZ-OD2 2.77Å; K209-D234 VanDerWaalsContact NZ-OD2 3.1Å |
| 210 | A | 93.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 30% | 0.298 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | E206 N207 I212 Q213 D214 | E206-A210 PolarHBondContact O-N 2.93Å; N207-A210 WeakPolarHBondContact O-CB 3.25Å; N207-A210 PolarHBondContact O-N 3.08Å; A210-I212 VanDerWaalsContact C-N 3.26Å; A210-I212 PolarHBondContact O-N 3.44Å; A210-Q213 WeakPolarHBondContact O-CA 3.29Å; A210-Q213 VanDerWaalsContact O-CB 3.27Å; A210-Q213 WeakPolarHBondContact O-CB 3.34Å; A210-Q213 PolarHBondContact O-N 2.81Å; A210-D214 PolarHBondContact O-N 2.86Å |
| 211 | K | 91.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 53 Ų | 53 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -33.7 | 174.9 | -67.4 | 171.1 | -169.4 | -110.1 | 0 | 113 | L197 E198 V199 D203 N207 V208 K209 K215 | L197-K211 HydrophobicContact CD2-CB 4.26Å; E198-K211 PolarHBondContact O-NZ 3.36Å; V199-K211 HydrophobicContact CG1-CD 4.16Å; D203-K211 WeakPolarHBondContact OD2-CE 3.32Å; D203-K211 IonicContact OD2-NZ 3.02Å; D203-K211 PolarHBondContact OD2-NZ 2.87Å; N207-K211 WeakPolarHBondContact O-CG 3.31Å; N207-K211 PolarHBondContact O-N 2.87Å; V208-K211 PolarHBondContact O-N 3.44Å; K209-K211 VanDerWaalsContact C-N 3.33Å; K209-K211 PolarHBondContact O-N 2.88Å; K211-K215 PolarHBondContact O-N 3.49Å |
| 212 | I | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.6 | -41.5 | 172.9 | -66.3 | 165.6 | 0 | 0 | 0 | 110.6 | V187 L197 V208 K209 A210 D214 K215 E216 L225 L251 | V187-I212 HydrophobicContact CG1-CD1 4.12Å; V187-I212 HydrophobicContact CG2-CD1 4.2Å; L197-I212 HydrophobicContact CD1-CD1 4.15Å; L197-I212 HydrophobicContact CD1-CG1 3.6Å; L197-I212 HydrophobicContact CD2-CG1 4.4Å; V208-I212 HydrophobicContact CG1-CD1 4.41Å; V208-I212 WeakPolarHBondContact O-CG1 3.28Å; V208-I212 PolarHBondContact O-N 3.11Å; V208-I212 VanDerWaalsContact O-N 3.09Å; K209-I212 WeakPolarHBondContact O-CB 3.4Å; K209-I212 PolarHBondContact O-N 2.61Å; K209-I212 VanDerWaalsContact O-N 3.17Å; A210-I212 VanDerWaalsContact C-N 3.26Å; A210-I212 PolarHBondContact O-N 3.44Å; I212-D214 VanDerWaalsContact C-N 3.32Å; I212-D214 PolarHBondContact O-N 2.88Å; I212-K215 PolarHBondContact O-N 3.25Å; I212-E216 WeakPolarHBondContact O-CB 3.26Å; I212-E216 PolarHBondContact O-N 2.9Å; I212-L225 HydrophobicContact CD1-CD1 4.09Å; I212-L225 HydrophobicContact CD1-CD2 3.73Å; I212-L225 HydrophobicContact CD1-CG 4.4Å; I212-L251 HydrophobicContact CG2-CD2 4Å |
| 213 | Q | 93.9 | Very high | 93.2 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 36% | 0.36 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 175.5 | -176.1 | -177.2 | 8.2 | 0 | 0 | 111.1 | K209 A210 K215 G217 I218 | K209-Q213 PolarHBondContact O-N 3.05Å; A210-Q213 WeakPolarHBondContact O-CA 3.29Å; A210-Q213 VanDerWaalsContact O-CB 3.27Å; A210-Q213 WeakPolarHBondContact O-CB 3.34Å; A210-Q213 PolarHBondContact O-N 2.81Å; Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 PolarHBondContact O-N 3.15Å; Q213-G217 WeakPolarHBondContact O-CA 3.43Å; Q213-G217 PolarHBondContact O-N 3.42Å; Q213-I218 WeakPolarHBondContact CA-O 3.4Å; Q213-I218 WeakPolarHBondContact CB-O 3.37Å; Q213-I218 WeakPolarHBondContact CG-O 3.28Å |
| 214 | D | 88.2 | Confident | 93.4 | Very high | 133 Ų | 133 | 53.6 Ų | 53.6 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.4 | -34.4 | -180 | -66.1 | -26.8 | 0 | 0 | 0 | 112.5 | A210 I212 | A210-D214 PolarHBondContact O-N 2.86Å; I212-D214 VanDerWaalsContact C-N 3.32Å; I212-D214 PolarHBondContact O-N 2.88Å |
| 215 | K | 89.6 | Confident | 93.5 | Very high | 121 Ų | 121 | 52 Ų | 52 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -85.9 | -36.2 | -179.5 | -72 | -160.3 | 178.1 | -159.5 | 0 | 114.5 | I195 T196 L197 K211 I212 Q213 | I195-K215 HydrophobicContact CG2-CD 4.12Å; T196-K215 PolarHBondContact O-NZ 3Å; L197-K215 HydrophobicContact CD2-CD 3.92Å; K211-K215 PolarHBondContact O-N 3.49Å; I212-K215 PolarHBondContact O-N 3.25Å; Q213-K215 VanDerWaalsContact C-N 3.28Å; Q213-K215 PolarHBondContact O-N 3.15Å |
| 216 | E | 93 | Very high | 93.5 | Very high | 62 Ų | 62 | 54.1 Ų | 54.1 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -119.7 | -7.7 | -169 | -61.6 | -68.2 | 137.8 | 0 | 0 | 113.6 | K193 I195 I212 I218 | K193-E216 WeakPolarHBondContact CE-OE1 3.33Å; K193-E216 IonicContact NZ-OE1 3.54Å; K193-E216 PolarHBondContact NZ-OE1 3.28Å; K193-E216 IonicContact NZ-OE2 2.67Å; K193-E216 PolarHBondContact NZ-OE2 3.46Å; I195-E216 HydrophobicContact CD1-CG 3.53Å; I195-E216 HydrophobicContact CG1-CG 4.06Å; I212-E216 WeakPolarHBondContact O-CB 3.26Å; I212-E216 PolarHBondContact O-N 2.9Å; E216-I218 VanDerWaalsContact C-N 3.29Å; E216-I218 HydrophobicContact CB-CD1 3.76Å; E216-I218 HydrophobicContact CB-CG1 3.9Å; E216-I218 PolarHBondContact O-N 3.5Å |
| 217 | G | 92.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | trans | 73.7 | 14.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q213 P219 | Q213-G217 WeakPolarHBondContact O-CA 3.43Å; Q213-G217 PolarHBondContact O-N 3.42Å; G217-P219 WeakPolarHBondContact O-CD 3.3Å | ||
| 218 | I | 92.4 | Very high | 93.7 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.138 | 28% | 0.284 | C | S | . | . | trans | -90.9 | 119.7 | -174.2 | -55.4 | 170.5 | 0 | 0 | 0 | 109.6 | Q213 E216 Q222 Q223 L251 L253 | Q213-I218 WeakPolarHBondContact CA-O 3.4Å; Q213-I218 WeakPolarHBondContact CB-O 3.37Å; Q213-I218 WeakPolarHBondContact CG-O 3.28Å; E216-I218 VanDerWaalsContact C-N 3.29Å; E216-I218 HydrophobicContact CB-CD1 3.76Å; E216-I218 HydrophobicContact CB-CG1 3.9Å; E216-I218 PolarHBondContact O-N 3.5Å; I218-Q222 HydrophobicContact CG2-CB 4.47Å; I218-Q223 HydrophobicContact CB-CG 4.4Å; I218-Q223 HydrophobicContact CG2-CG 3.7Å; I218-Q223 PolarHBondContact O-NE2 2.84Å; I218-L251 HydrophobicContact CD1-CD2 4.08Å; I218-L253 HydrophobicContact CD1-CD2 4.11Å; I218-L253 HydrophobicContact CG2-CD2 3.64Å | ||
| 219 | P | 94.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 27% | 0.266 | 32% | 0.321 | S | S | . | . | trans | -60.3 | 138 | 179.3 | -28.9 | 38.9 | 0 | 0 | 0 | 114 | G217 D221 Q222 Q223 | G217-P219 WeakPolarHBondContact O-CD 3.3Å; P219-D221 VanDerWaalsContact C-N 3.28Å; P219-D221 WeakPolarHBondContact CB-OD1 3.48Å; P219-D221 PolarHBondContact O-N 2.96Å; P219-Q222 HydrophobicContact CB-CG 4.24Å; P219-Q222 WeakPolarHBondContact O-CB 3.27Å; P219-Q222 PolarHBondContact O-N 3.08Å; P219-Q223 WeakPolarHBondContact O-CG 3.33Å; P219-Q223 PolarHBondContact O-N 3.29Å | ||
| 220 | P | 93.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -56.8 | -32.7 | -175.8 | -31 | 37.2 | 0 | 0 | 0 | 115.8 | K209 Q222 Q223 | K209-P220 HydrophobicContact CB-CB 3.88Å; K209-P220 HydrophobicContact CB-CG 4.39Å; K209-P220 HydrophobicContact CD-CB 4.27Å; K209-P220 PolarHBondContact NZ-O 3.37Å; P220-Q222 VanDerWaalsContact C-N 3.26Å; P220-Q222 PolarHBondContact O-N 3.41Å; P220-Q223 WeakPolarHBondContact O-CB 3.46Å; P220-Q223 PolarHBondContact O-N 2.89Å; P220-Q223 VanDerWaalsContact O-N 3.15Å |
| 221 | D | 92.2 | Very high | 93.7 | Very high | 104 Ų | 104 | 63.9 Ų | 63.9 | 56% | 0.556 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -65.9 | -29.8 | 176.3 | 63.7 | -38.1 | 0 | 0 | 0 | 112.4 | P219 Q223 R254 | P219-D221 VanDerWaalsContact C-N 3.28Å; P219-D221 WeakPolarHBondContact CB-OD1 3.48Å; P219-D221 PolarHBondContact O-N 2.96Å; D221-Q223 VanDerWaalsContact C-N 3.33Å; D221-R254 PolarHBondContact O-NH1 3.28Å |
| 222 | Q | 93.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 62.2 Ų | 62.2 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -83 | -10.5 | 175.1 | -60.2 | 179.1 | 15.8 | 0 | 0 | 113 | I218 P219 P220 L253 R254 | I218-Q222 HydrophobicContact CG2-CB 4.47Å; P219-Q222 HydrophobicContact CB-CG 4.24Å; P219-Q222 WeakPolarHBondContact O-CB 3.27Å; P219-Q222 PolarHBondContact O-N 3.08Å; P220-Q222 VanDerWaalsContact C-N 3.26Å; P220-Q222 PolarHBondContact O-N 3.41Å; Q222-L253 WeakPolarHBondContact O-CA 3.1Å; Q222-R254 PolarHBondContact O-N 2.86Å |
| 223 | Q | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 126.7 | -178.3 | -60.9 | 177.4 | 36.9 | 0 | 0 | 111.6 | K209 I218 P219 P220 D221 L251 | K209-Q223 VanDerWaalsContact CB-OE1 3.31Å; K209-Q223 HydrophobicContact CD-CB 4.31Å; K209-Q223 VanDerWaalsContact CE-O 3.22Å; K209-Q223 WeakPolarHBondContact CE-O 3.43Å; K209-Q223 HydrophobicContact CG-CB 4.05Å; K209-Q223 PolarHBondContact NZ-O 2.78Å; K209-Q223 PolarHBondContact O-NE2 3.31Å; K209-Q223 PolarHBondContact O-OE1 2.94Å; I218-Q223 HydrophobicContact CB-CG 4.4Å; I218-Q223 HydrophobicContact CG2-CG 3.7Å; I218-Q223 PolarHBondContact O-NE2 2.84Å; P219-Q223 WeakPolarHBondContact O-CG 3.33Å; P219-Q223 PolarHBondContact O-N 3.29Å; P220-Q223 WeakPolarHBondContact O-CB 3.46Å; P220-Q223 PolarHBondContact O-N 2.89Å; P220-Q223 VanDerWaalsContact O-N 3.15Å; D221-Q223 VanDerWaalsContact C-N 3.33Å; Q223-L251 HydrophobicContact CB-CD1 3.76Å; Q223-L251 HydrophobicContact CG-CD1 4.01Å |
| 224 | R | 95.8 | Very high | 94 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.5 | 165.5 | 179.9 | -179.7 | -90.2 | 164.1 | 2.4 | 109 | I226 Q231 V252 R254 | R224-I226 HydrophobicContact CG-CG1 4.45Å; R224-Q231 HydrophobicContact CG-CG 3.98Å; R224-V252 HydrophobicContact CB-CB 4.28Å; R224-V252 WeakPolarHBondContact CB-O 3.32Å; R224-V252 PolarHBondContact N-O 3.11Å; R224-V252 PolarHBondContact O-N 3.16Å; R224-R254 HydrophobicContact CB-CG 4.35Å |
| 225 | L | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138 | 176.9 | -66.2 | 175 | 0 | 0 | 0 | 111.1 | V187 I205 V208 K209 I212 L232 L249 H250 L251 | V187-L225 HydrophobicContact CG1-CD2 4.13Å; I205-L225 HydrophobicContact CG2-CD1 4.24Å; V208-L225 HydrophobicContact CB-CD1 4.43Å; V208-L225 HydrophobicContact CG1-CD1 3.83Å; K209-L225 HydrophobicContact CG-CD1 3.96Å; I212-L225 HydrophobicContact CD1-CD1 4.09Å; I212-L225 HydrophobicContact CD1-CD2 3.73Å; I212-L225 HydrophobicContact CD1-CG 4.4Å; L225-L232 HydrophobicContact CB-CB 4.26Å; L225-L232 HydrophobicContact CB-CD1 3.93Å; L225-L232 HydrophobicContact CB-CG 4.26Å; L225-L232 PolarHBondContact O-N 2.88Å; L225-L249 HydrophobicContact CD1-CD2 4.38Å; L225-H250 WeakPolarHBondContact CA-O 3.13Å; L225-L251 HydrophobicContact CD2-CB 4.16Å; L225-L251 HydrophobicContact CD2-CD1 3.88Å |
| 226 | I | 96.9 | Very high | 94.6 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.6 | -178.4 | -56.6 | 173 | 0 | 0 | 0 | 109.1 | R224 K230 L249 H250 V252 | R224-I226 HydrophobicContact CG-CG1 4.45Å; I226-K230 CarbonylContact C-O 3.55Å; I226-K230 VanDerWaalsContact CA-O 3.3Å; I226-K230 WeakPolarHBondContact CA-O 3.23Å; I226-L249 WeakPolarHBondContact O-CA 3.28Å; I226-H250 HydrophobicContact CB-CB 4.34Å; I226-H250 PolarHBondContact N-O 2.73Å; I226-H250 PolarHBondContact O-N 3.47Å; I226-V252 HydrophobicContact CD1-CG2 3.8Å |
| 227 | F | 97.4 | Very high | 94.8 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 18% | 0.18 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.6 | 173.7 | -177.5 | -112.8 | 0 | 0 | 0 | 109.8 | G229 K230 L232 I243 L249 | F227-G229 PolarHBondContact O-N 3.3Å; F227-G229 VanDerWaalsContact O-N 3.09Å; F227-K230 PolarHBondContact N-O 3.48Å; F227-K230 PolarHBondContact O-N 2.86Å; F227-L232 HydrophobicContact CB-CD1 4.2Å; F227-L232 HydrophobicContact CB-CD2 3.91Å; F227-L232 HydrophobicContact CB-CG 4.37Å; F227-I243 HydrophobicContact CB-CD1 4.31Å; F227-I243 HydrophobicContact CD1-CD1 4.11Å; F227-I243 HydrophobicContact CD1-CG1 3.51Å; F227-I243 HydrophobicContact CD2-CG1 4.26Å; F227-I243 HydrophobicContact CE1-CG1 3.59Å; F227-I243 HydrophobicContact CE2-CG1 4.34Å; F227-I243 HydrophobicContact CG-CD1 4.14Å; F227-I243 HydrophobicContact CG-CG1 3.86Å; F227-I243 HydrophobicContact CZ-CG1 4.02Å; F227-L249 HydrophobicContact CB-CG 4.31Å; F227-L249 HydrophobicContact CD2-CD1 4.07Å; F227-L249 HydrophobicContact CD2-CG 4.38Å |
| 228 | A | 94.3 | Very high | 94.9 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 72% | 0.719 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 38.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | K230 | A228-K230 PolarHBondContact O-N 3.42Š|
| 229 | G | 92.4 | Very high | 95.1 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 77% | 0.773 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | -1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F227 | F227-G229 PolarHBondContact O-N 3.3Å; F227-G229 VanDerWaalsContact O-N 3.09Å |
| 230 | K | 94.7 | Very high | 95.2 | Very high | 142 Ų | 142 | 62.9 Ų | 62.9 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.9 | 178 | -63.9 | -178.2 | -179.6 | 178.4 | 0 | 111 | I226 F227 A228 | I226-K230 CarbonylContact C-O 3.55Å; I226-K230 VanDerWaalsContact CA-O 3.3Å; I226-K230 WeakPolarHBondContact CA-O 3.23Å; F227-K230 PolarHBondContact N-O 3.48Å; F227-K230 PolarHBondContact O-N 2.86Å; A228-K230 PolarHBondContact O-N 3.42Å |
| 231 | Q | 95.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135 | 168.2 | -176.3 | -177.8 | -44.9 | 0 | 0 | 109.2 | R224 R254 | R224-Q231 HydrophobicContact CG-CG 3.98Å; Q231-R254 VanDerWaalsContact NE2-NH2 3.17Å |
| 232 | L | 96.7 | Very high | 95.5 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -84 | 140.5 | 178.1 | -53.2 | -173.9 | 0 | 0 | 0 | 110.9 | I205 L225 F227 Y241 I243 L249 | I205-L232 HydrophobicContact CD1-CB 3.88Å; I205-L232 HydrophobicContact CD1-CD1 3.62Å; I205-L232 HydrophobicContact CD1-CG 4.29Å; I205-L232 HydrophobicContact CG1-CB 3.89Å; I205-L232 HydrophobicContact CG2-CB 3.91Å; L225-L232 HydrophobicContact CB-CB 4.26Å; L225-L232 HydrophobicContact CB-CD1 3.93Å; L225-L232 HydrophobicContact CB-CG 4.26Å; L225-L232 PolarHBondContact O-N 2.88Å; F227-L232 HydrophobicContact CB-CD1 4.2Å; F227-L232 HydrophobicContact CB-CD2 3.91Å; F227-L232 HydrophobicContact CB-CG 4.37Å; L232-Y241 HydrophobicContact CB-CE2 4.14Å; L232-Y241 HydrophobicContact CD2-CD1 3.62Å; L232-Y241 HydrophobicContact CD2-CD2 3.68Å; L232-Y241 HydrophobicContact CD2-CE1 3.73Å; L232-Y241 HydrophobicContact CD2-CE2 3.75Å; L232-Y241 HydrophobicContact CD2-CG 3.6Å; L232-I243 HydrophobicContact CD1-CD1 3.92Å; L232-L249 HydrophobicContact CD1-CD2 3.57Å; L232-L249 HydrophobicContact CD1-CG 4.2Å |
| 233 | E | 95.9 | Very high | 95.6 | Very high | 100 Ų | 100 | 60.2 Ų | 60.2 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 135.3 | -178.9 | -66.8 | 169.5 | -167.6 | 0 | 0 | 110.6 | I205 G235 R236 Y241 | I205-E233 VanDerWaalsContact CB-O 3.27Å; I205-E233 WeakPolarHBondContact CB-O 3.42Å; I205-E233 VanDerWaalsContact CG1-O 3.23Å; I205-E233 WeakPolarHBondContact CG1-O 3.41Å; E233-G235 VanDerWaalsContact C-N 3.28Å; E233-G235 PolarHBondContact O-N 3.42Å; E233-R236 HydrophobicContact CB-CG 4.27Å; E233-R236 PolarHBondContact O-N 2.81Å; E233-R236 VanDerWaalsContact O-N 3.09Å; E233-R236 IonicContact OE1-NH2 2.64Å; E233-R236 IonicContact OE2-CZ 2.92Å; E233-R236 IonicContact OE2-NE 2.69Å; E233-R236 PolarHBondContact OE2-NE 2.94Å; E233-R236 IonicContact OE2-NH2 2.7Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; E233-Y241 WeakPolarHBondContact CB-OH 3.47Å; E233-Y241 PolarHBondContact N-OH 3.18Å |
| 234 | D | 93.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -35.4 | -169.5 | -69 | -5.1 | 0 | 0 | 0 | 113.8 | E206 K209 R236 | E206-D234 HydrophobicContact CB-CB 4.32Å; E206-D234 PolarHBondContact N-O 2.96Å; K209-D234 WeakPolarHBondContact CE-OD1 3.15Å; K209-D234 VanDerWaalsContact NZ-CG 3.29Å; K209-D234 IonicContact NZ-OD1 2.74Å; K209-D234 PolarHBondContact NZ-OD1 2.93Å; K209-D234 IonicContact NZ-OD2 3.81Å; K209-D234 PolarHBondContact NZ-OD2 2.77Å; K209-D234 VanDerWaalsContact NZ-OD2 3.1Å; D234-R236 PolarHBondContact O-N 2.9Å |
| 235 | G | 93.5 | Very high | 95.4 | Very high | 73 Ų | 73 | 66.4 Ų | 66.4 | 75% | 0.753 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | E233 | E233-G235 VanDerWaalsContact C-N 3.28Å; E233-G235 PolarHBondContact O-N 3.42Å |
| 236 | R | 96.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 72.2 Ų | 72.2 | 40% | 0.4 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -99 | 160.4 | 176.6 | -66.4 | -160.2 | -157.6 | -157.7 | -0.7 | 111.4 | T204 I205 E233 D234 D240 Y241 | T204-R236 CarbonylContact C-O 3.5Å; T204-R236 VanDerWaalsContact CA-O 3.24Å; T204-R236 WeakPolarHBondContact CA-O 3.37Å; I205-R236 WeakPolarHBondContact CG1-O 3.22Å; I205-R236 PolarHBondContact N-O 2.92Å; E233-R236 HydrophobicContact CB-CG 4.27Å; E233-R236 PolarHBondContact O-N 2.81Å; E233-R236 VanDerWaalsContact O-N 3.09Å; E233-R236 IonicContact OE1-NH2 2.64Å; E233-R236 IonicContact OE2-CZ 2.92Å; E233-R236 IonicContact OE2-NE 2.69Å; E233-R236 PolarHBondContact OE2-NE 2.94Å; E233-R236 IonicContact OE2-NH2 2.7Å; E233-R236 PolarHBondContact OE2-NH2 3.48Å; D234-R236 PolarHBondContact O-N 2.9Å; R236-D240 HydrophobicContact CB-CB 4.24Å; R236-Y241 HydrophobicContact CB-CD2 4.3Å; R236-Y241 HydrophobicContact CB-CE2 3.54Å; R236-Y241 WeakPolarHBondContact CD-OH 3.34Å; R236-Y241 HydrophobicContact CG-CE2 4.3Å |
| 237 | T | 96.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 71 Ų | 71 | 16% | 0.16 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 166.9 | 178.4 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | S202 D203 S239 D240 Y241 | S202-T237 WeakPolarHBondContact O-CG2 3.29Å; D203-T237 CarbonylContact O-C 3.52Å; D203-T237 VanDerWaalsContact O-CA 3.23Å; D203-T237 WeakPolarHBondContact O-CA 3.48Å; T237-S239 PolarHBondContact O-N 3.33Å; T237-S239 PolarHBondContact OG1-N 2.88Å; T237-S239 PolarHBondContact OG1-OG 2.87Å; T237-D240 PolarHBondContact N-OD2 3.17Å; T237-D240 PolarHBondContact O-N 2.86Å; T237-D240 PolarHBondContact OG1-N 3.4Å; T237-D240 PolarHBondContact OG1-OD2 2.81Å; T237-Y241 WeakPolarHBondContact O-CD2 3.32Å |
| 238 | L | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -38.7 | 169.9 | -68.5 | -176.1 | 0 | 0 | 0 | 112 | M183 I185 V199 P201 D203 I205 V208 D240 Y241 N242 I243 | M183-L238 HydrophobicContact CE-CD1 4.27Å; I185-L238 HydrophobicContact CD1-CD1 4.13Å; I185-L238 HydrophobicContact CD1-CD2 4.25Å; V199-L238 HydrophobicContact CB-CD1 3.56Å; V199-L238 HydrophobicContact CG1-CD1 4.1Å; V199-L238 HydrophobicContact CG2-CD1 3.38Å; P201-L238 PolarHBondContact O-N 2.89Å; D203-L238 HydrophobicContact CB-CD1 4.35Å; D203-L238 PolarHBondContact O-N 2.94Å; I205-L238 HydrophobicContact CD1-CD2 4.03Å; V208-L238 HydrophobicContact CG2-CD1 4.15Å; V208-L238 HydrophobicContact CG2-CD2 3.94Å; V208-L238 HydrophobicContact CG2-CG 4.1Å; L238-D240 PolarHBondContact O-N 2.82Å; L238-Y241 PolarHBondContact O-N 2.82Å; L238-N242 PolarHBondContact O-N 2.98Å; L238-I243 HydrophobicContact CB-CB 4.17Å; L238-I243 HydrophobicContact CD2-CB 4.19Å; L238-I243 HydrophobicContact CD2-CD1 3.57Å; L238-I243 HydrophobicContact CD2-CG1 4.47Å; L238-I243 HydrophobicContact CD2-CG2 4.09Å; L238-I243 WeakPolarHBondContact O-CB 3.29Å; L238-I243 PolarHBondContact O-N 3.2Å |
| 239 | S | 95.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 67.3 Ų | 67.3 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -64.5 | -36.3 | 178.9 | 74.5 | 0 | 0 | 0 | 0 | 113 | P201 T237 Y241 N242 | P201-S239 VanDerWaalsContact O-CB 3.31Å; P201-S239 WeakPolarHBondContact O-CB 3.43Å; P201-S239 PolarHBondContact O-N 2.83Å; P201-S239 PolarHBondContact O-OG 2.87Å; T237-S239 PolarHBondContact O-N 3.33Å; T237-S239 PolarHBondContact OG1-N 2.88Å; T237-S239 PolarHBondContact OG1-OG 2.87Å; S239-Y241 PolarHBondContact O-N 3.49Å; S239-N242 WeakPolarHBondContact O-CA 3.47Å; S239-N242 PolarHBondContact O-N 3.46Å |
| 240 | D | 96.2 | Very high | 95.6 | Very high | 95 Ų | 95 | 68.4 Ų | 68.4 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -61.4 | -28.9 | 177 | -66.1 | -40.7 | 0 | 0 | 0 | 112.7 | R236 T237 L238 | R236-D240 HydrophobicContact CB-CB 4.24Å; T237-D240 PolarHBondContact N-OD2 3.17Å; T237-D240 PolarHBondContact O-N 2.86Å; T237-D240 PolarHBondContact OG1-N 3.4Å; T237-D240 PolarHBondContact OG1-OD2 2.81Å; L238-D240 PolarHBondContact O-N 2.82Å |
| 241 | Y | 96.9 | Very high | 95.7 | Very high | 34 Ų | 34 | 61.8 Ų | 61.8 | 13% | 0.133 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -94.6 | 4 | 176 | -69.6 | -70.9 | 0 | 0 | 0 | 113.4 | I205 L232 E233 R236 T237 L238 S239 I243 | I205-Y241 HydrophobicContact CD1-CD2 4.27Å; I205-Y241 HydrophobicContact CD1-CE2 4.32Å; I205-Y241 HydrophobicContact CG1-CD2 4.43Å; I205-Y241 HydrophobicContact CG1-CE2 4.02Å; L232-Y241 HydrophobicContact CB-CE2 4.14Å; L232-Y241 HydrophobicContact CD2-CD1 3.62Å; L232-Y241 HydrophobicContact CD2-CD2 3.68Å; L232-Y241 HydrophobicContact CD2-CE1 3.73Å; L232-Y241 HydrophobicContact CD2-CE2 3.75Å; L232-Y241 HydrophobicContact CD2-CG 3.6Å; E233-Y241 WeakPolarHBondContact CB-OH 3.47Å; E233-Y241 PolarHBondContact N-OH 3.18Å; R236-Y241 HydrophobicContact CB-CD2 4.3Å; R236-Y241 HydrophobicContact CB-CE2 3.54Å; R236-Y241 WeakPolarHBondContact CD-OH 3.34Å; R236-Y241 HydrophobicContact CG-CE2 4.3Å; T237-Y241 WeakPolarHBondContact O-CD2 3.32Å; L238-Y241 PolarHBondContact O-N 2.82Å; S239-Y241 PolarHBondContact O-N 3.49Å; Y241-I243 PolarHBondContact O-N 3.36Å |
| 242 | N | 96.1 | Very high | 95.5 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 59% | 0.594 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.3 | -173.1 | -167.2 | 32.7 | 0 | 0 | 0 | 112 | L238 S239 Q244 | L238-N242 PolarHBondContact O-N 2.98Å; S239-N242 WeakPolarHBondContact O-CA 3.47Å; S239-N242 PolarHBondContact O-N 3.46Å; N242-Q244 PolarHBondContact O-N 3.24Å; N242-Q244 PolarHBondContact OD1-NE2 2.91Å |
| 243 | I | 96.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | trans | -76 | 121.4 | 173.3 | -66.7 | 166.8 | 0 | 0 | 0 | 106.7 | M183 I185 F227 L232 L238 Y241 L249 | M183-I243 HydrophobicContact CE-CG2 4.39Å; M183-I243 WeakPolarHBondContact CE-O 3.43Å; I185-I243 HydrophobicContact CG2-CG2 3.88Å; F227-I243 HydrophobicContact CB-CD1 4.31Å; F227-I243 HydrophobicContact CD1-CD1 4.11Å; F227-I243 HydrophobicContact CD1-CG1 3.51Å; F227-I243 HydrophobicContact CD2-CG1 4.26Å; F227-I243 HydrophobicContact CE1-CG1 3.59Å; F227-I243 HydrophobicContact CE2-CG1 4.34Å; F227-I243 HydrophobicContact CG-CD1 4.14Å; F227-I243 HydrophobicContact CG-CG1 3.86Å; F227-I243 HydrophobicContact CZ-CG1 4.02Å; L232-I243 HydrophobicContact CD1-CD1 3.92Å; L238-I243 HydrophobicContact CB-CB 4.17Å; L238-I243 HydrophobicContact CD2-CB 4.19Å; L238-I243 HydrophobicContact CD2-CD1 3.57Å; L238-I243 HydrophobicContact CD2-CG1 4.47Å; L238-I243 HydrophobicContact CD2-CG2 4.09Å; L238-I243 WeakPolarHBondContact O-CB 3.29Å; L238-I243 PolarHBondContact O-N 3.2Å; Y241-I243 PolarHBondContact O-N 3.36Å; I243-L249 HydrophobicContact CD1-CD1 4.19Å; I243-L249 HydrophobicContact CD1-CD2 4.29Å; I243-L249 HydrophobicContact CD1-CG 4.44Å; I243-L249 HydrophobicContact CG2-CD1 4.02Å | ||
| 244 | Q | 94.1 | Very high | 94.8 | Very high | 107 Ų | 107 | 63 Ų | 63 | 50% | 0.5 | 33% | 0.331 | S | S | . | . | trans | -106.6 | 170.2 | -176.6 | -64.4 | -62.2 | -29 | 0 | 0 | 111 | N242 E246 S247 | N242-Q244 PolarHBondContact O-N 3.24Å; N242-Q244 PolarHBondContact OD1-NE2 2.91Å; Q244-E246 PolarHBondContact O-N 3.45Å; Q244-S247 PolarHBondContact N-OG 2.97Å; Q244-S247 WeakPolarHBondContact O-CB 3.38Å; Q244-S247 PolarHBondContact O-N 3.4Å; Q244-S247 PolarHBondContact O-OG 3.02Å | ||
| 245 | K | 92.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 67.9 Ų | 67.9 | 51% | 0.513 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 137.9 | 169.7 | -175.5 | 173.4 | 179.9 | 174.8 | 0 | 110.6 | M183 S247 | M183-K245 HydrophobicContact CG-CB 4.2Å; K245-S247 PolarHBondContact O-N 3.17Å |
| 246 | E | 93.4 | Very high | 92.5 | Very high | 124 Ų | 124 | 75 Ų | 75 | 58% | 0.579 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 11.1 | -177.4 | -67.3 | 165.4 | -160.6 | 0 | 0 | 115.3 | Q184 F186 Q244 | Q184-E246 WeakPolarHBondContact O-CA 3.29Å; Q184-E246 PolarHBondContact O-N 3.05Å; F186-E246 WeakPolarHBondContact CD2-O 3.42Å; F186-E246 HydrophobicContact CE2-CB 3.88Å; F186-E246 HydrophobicContact CE2-CG 3.98Å; F186-E246 HydrophobicContact CZ-CG 4.42Å; Q244-E246 PolarHBondContact O-N 3.45Å |
| 247 | S | 96.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | trans | -61.9 | 147.6 | 172.4 | -67.8 | 0 | 0 | 0 | 0 | 111.9 | F186 Q244 K245 | F186-S247 PolarHBondContact N-O 2.74Å; Q244-S247 PolarHBondContact N-OG 2.97Å; Q244-S247 WeakPolarHBondContact O-CB 3.38Å; Q244-S247 PolarHBondContact O-N 3.4Å; Q244-S247 PolarHBondContact O-OG 3.02Å; K245-S247 PolarHBondContact O-N 3.17Å | ||
| 248 | T | 97.1 | Very high | 88.2 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 31% | 0.307 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.8 | 177.5 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | F186 K188 | F186-T248 HydrophobicContact CB-CG2 4.38Å; F186-T248 CarbonylContact O-C 3.48Å; F186-T248 VanDerWaalsContact O-CA 3.32Å; F186-T248 WeakPolarHBondContact O-CA 3.44Å; K188-T248 HydrophobicContact CB-CG2 4.36Å; K188-T248 HydrophobicContact CD-CG2 3.84Å; K188-T248 HydrophobicContact CG-CG2 3.81Å |
| 249 | L | 97.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 153.9 | 170.6 | -74.4 | 64.4 | 0 | 0 | 0 | 109.6 | I185 F186 V187 K188 L225 I226 F227 L232 I243 | I185-L249 HydrophobicContact CD1-CD1 4.13Å; I185-L249 HydrophobicContact CD1-CD2 4.24Å; F186-L249 PolarHBondContact O-N 3.41Å; V187-L249 CarbonylContact C-O 3.48Å; V187-L249 WeakPolarHBondContact CA-O 3.5Å; V187-L249 HydrophobicContact CG2-CB 4.37Å; K188-L249 PolarHBondContact N-O 3.4Å; L225-L249 HydrophobicContact CD1-CD2 4.38Å; I226-L249 WeakPolarHBondContact O-CA 3.28Å; F227-L249 HydrophobicContact CB-CG 4.31Å; F227-L249 HydrophobicContact CD2-CD1 4.07Å; F227-L249 HydrophobicContact CD2-CG 4.38Å; L232-L249 HydrophobicContact CD1-CD2 3.57Å; L232-L249 HydrophobicContact CD1-CG 4.2Å; I243-L249 HydrophobicContact CD1-CD1 4.19Å; I243-L249 HydrophobicContact CD1-CD2 4.29Å; I243-L249 HydrophobicContact CD1-CG 4.44Å; I243-L249 HydrophobicContact CG2-CD1 4.02Å |
| 250 | H | 97.3 | Very high | 85 | Confident | 99 Ų | 99 | 90.1 Ų | 90.1 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.3 | 173 | -65.5 | 76.3 | 0 | 0 | 0 | 109.8 | K188 L225 I226 | K188-H250 WeakPolarHBondContact O-CA 3.44Å; L225-H250 WeakPolarHBondContact CA-O 3.13Å; I226-H250 HydrophobicContact CB-CB 4.34Å; I226-H250 PolarHBondContact N-O 2.73Å; I226-H250 PolarHBondContact O-N 3.47Å |
| 251 | L | 95.8 | Very high | 84.4 | Confident | 3 Ų | 3 | 89.8 Ų | 89.8 | 2% | 0.016 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.3 | 175.8 | 176.4 | 63.7 | 0 | 0 | 0 | 110.2 | V187 K188 T189 I212 I218 Q223 L225 L253 | V187-L251 HydrophobicContact CG1-CB 3.57Å; V187-L251 HydrophobicContact CG1-CD2 4.42Å; K188-L251 PolarHBondContact O-N 3.31Å; T189-L251 HydrophobicContact CG2-CD2 4.36Å; I212-L251 HydrophobicContact CG2-CD2 4Å; I218-L251 HydrophobicContact CD1-CD2 4.08Å; Q223-L251 HydrophobicContact CB-CD1 3.76Å; Q223-L251 HydrophobicContact CG-CD1 4.01Å; L225-L251 HydrophobicContact CD2-CB 4.16Å; L225-L251 HydrophobicContact CD2-CD1 3.88Å; L251-L253 HydrophobicContact CD1-CD2 4.46Å; L251-L253 HydrophobicContact CD2-CD2 4.3Å; L251-L253 HydrophobicContact CG-CD2 4.25Å |
| 252 | V | 93.3 | Very high | 83.7 | Confident | 39 Ų | 39 | 92.9 Ų | 92.9 | 24% | 0.236 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 129.1 | 171.7 | 177.8 | 0 | 0 | 0 | 0 | 108.4 | L190 R224 I226 | L190-V252 HydrophobicContact CD1-CG1 4.23Å; L190-V252 HydrophobicContact CD2-CG2 4.28Å; R224-V252 HydrophobicContact CB-CB 4.28Å; R224-V252 WeakPolarHBondContact CB-O 3.32Å; R224-V252 PolarHBondContact N-O 3.11Å; R224-V252 PolarHBondContact O-N 3.16Å; I226-V252 HydrophobicContact CD1-CG2 3.8Å |
| 253 | L | 90.5 | Very high | 83 | Confident | 93 Ų | 93 | 91.8 Ų | 91.8 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 130.5 | 176.1 | -58.3 | -177.2 | 0 | 0 | 0 | 110.1 | I218 Q222 L251 | I218-L253 HydrophobicContact CD1-CD2 4.11Å; I218-L253 HydrophobicContact CG2-CD2 3.64Å; Q222-L253 WeakPolarHBondContact O-CA 3.1Å; L251-L253 HydrophobicContact CD1-CD2 4.46Å; L251-L253 HydrophobicContact CD2-CD2 4.3Å; L251-L253 HydrophobicContact CG-CD2 4.25Å |
| 254 | R | 86.1 | Confident | 82.1 | Confident | 88 Ų | 88 | 97.4 Ų | 97.4 | 33% | 0.332 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 131.6 | 168.5 | -62.9 | 178.2 | 178.8 | 157.3 | -2.9 | 108.2 | D221 Q222 R224 Q231 | D221-R254 PolarHBondContact O-NH1 3.28Å; Q222-R254 PolarHBondContact O-N 2.86Å; R224-R254 HydrophobicContact CB-CG 4.35Å; Q231-R254 VanDerWaalsContact NE2-NH2 3.17Å |
| 255 | L | 74.8 | Confident | 81.3 | Confident | 172 Ų | 172 | 96.7 Ų | 96.7 | 90% | 0.901 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -69.5 | 132.9 | 168.4 | -63.3 | 172 | 0 | 0 | 0 | 107.8 | G257 | L255-G257 PolarHBondContact O-N 3.27Š|
| 256 | R | 64.1 | Low | 80.6 | Confident | 223 Ų | 223 | 95.2 Ų | 95.2 | 84% | 0.842 | 51% | 0.508 | S | S | * | . | trans | -28 | 120.2 | -171.6 | -60 | -178.7 | -143.3 | 177.4 | 5.7 | 113.8 | G258 | R256-G258 PolarHBondContact O-N 2.91Š| ||
| 257 | G | 51.5 | Low | 79.6 | Confident | 78 Ų | 78 | 93 Ų | 93 | 80% | 0.804 | 50% | 0.502 | S | S | * | . | trans | -71.9 | 103.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | L255 | L255-G257 PolarHBondContact O-N 3.27Š| ||
| 258 | G | 51 | Low | 78.2 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 73% | 0.732 | 53% | 0.532 | S | S | * | . | trans | -63 | 141.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | R256 | R256-G258 PolarHBondContact O-N 2.91Š| ||
| 259 | Q | 38.8 | Very low | 76.4 | Confident | 273 Ų | 273 | 103.5 Ų | 103.5 | 100% | 1.276 | 55% | 0.553 | S | S | * | * | trans | -69 | 0 | 147.5 | -76.9 | -175.3 | -25.6 | 0 | 0 | 109.1 |
Retrieved 259 of 259 residues in 66.3 ms
(Link to these results)