| 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 | 59.8 | Low | 60.2 | Low | 211 Ų | 211 | 104.5 Ų | 104.5 | 100% | 1.039 | 62% | 0.618 | S | S | * | * | 0 | -36.5 | 0 | -67.1 | -172.8 | 86.8 | 0 | 0 | 112.8 | V5 | M1-V5 WeakPolarHBondContact O-CG2 3.49Š| |||
| 2 | T | 59.2 | Low | 59.8 | Low | 118 Ų | 118 | 101.8 Ų | 101.8 | 72% | 0.724 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.9 | -37.7 | 179.7 | 43.1 | 0 | 0 | 0 | 0 | 114.8 | A4 V5 T6 | T2-A4 VanDerWaalsContact C-N 3.34Å; T2-A4 PolarHBondContact O-N 3.49Å; T2-V5 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-OG1 3.28Å |
| 3 | L | 59.1 | Low | 59.6 | Low | 146 Ų | 146 | 101 Ų | 101 | 76% | 0.764 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.9 | -30.8 | -179.9 | -129.1 | 96 | 0 | 0 | 0 | 114 | T6 A7 | L3-T6 PolarHBondContact O-OG1 3.41Å; L3-A7 PolarHBondContact O-N 3.07Å |
| 4 | A | 62.6 | Low | 59.1 | Low | 63 Ų | 63 | 105.2 Ų | 105.2 | 52% | 0.521 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.7 | -35.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.3 | T2 A7 V8 | T2-A4 VanDerWaalsContact C-N 3.34Å; T2-A4 PolarHBondContact O-N 3.49Å; A4-A7 PolarHBondContact O-N 2.98Å; A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.29Å; A4-V8 PolarHBondContact O-N 3.32Å |
| 5 | V | 60.5 | Low | 58.6 | Low | 92 Ų | 92 | 110.3 Ų | 110.3 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.6 | -42 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | M1 T2 V8 C9 | M1-V5 WeakPolarHBondContact O-CG2 3.49Å; T2-V5 PolarHBondContact O-N 3.42Å; V5-V8 PolarHBondContact O-N 3.43Å; V5-C9 WeakPolarHBondContact O-CB 3.47Å; V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.02Å; V5-C9 VanDerWaalsContact O-SG 3.32Å |
| 6 | T | 60 | Low | 58.2 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.1 | -38.9 | 177.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | T2 L3 C9 M10 | T2-T6 PolarHBondContact O-N 3.42Å; T2-T6 PolarHBondContact O-OG1 3.28Å; L3-T6 PolarHBondContact O-OG1 3.41Å; T6-C9 PolarHBondContact O-N 2.97Å; T6-M10 VanDerWaalsContact O-CG 3.25Å; T6-M10 WeakPolarHBondContact O-CG 3.25Å; T6-M10 PolarHBondContact O-N 3.43Å |
| 7 | A | 63.2 | Low | 58.3 | Low | 53 Ų | 53 | 109.1 Ų | 109.1 | 44% | 0.438 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.2 | -44.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L3 A4 M10 V11 | L3-A7 PolarHBondContact O-N 3.07Å; A4-A7 PolarHBondContact O-N 2.98Å; A7-M10 PolarHBondContact O-N 3.01Å; A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.29Å; A7-V11 PolarHBondContact O-N 3.33Å |
| 8 | V | 62 | Low | 58.4 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 58% | 0.582 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.3 | -40.9 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | A4 V5 V11 S12 | A4-V8 VanDerWaalsContact O-CG2 3.29Å; A4-V8 WeakPolarHBondContact O-CG2 3.29Å; A4-V8 PolarHBondContact O-N 3.32Å; V5-V8 PolarHBondContact O-N 3.43Å; V8-V11 PolarHBondContact O-N 3.02Å; V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 PolarHBondContact O-OG 3.47Å |
| 9 | C | 58.9 | Low | 58.6 | Low | 72 Ų | 72 | 107.6 Ų | 107.6 | 49% | 0.486 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.3 | -43.9 | 175.2 | -74 | 0 | 0 | 0 | 0 | 112.1 | V5 T6 S12 V13 | V5-C9 WeakPolarHBondContact O-CB 3.47Å; V5-C9 PolarHBondContact O-N 3.31Å; V5-C9 PolarHBondContact O-SG 3.02Å; V5-C9 VanDerWaalsContact O-SG 3.32Å; T6-C9 PolarHBondContact O-N 2.97Å; C9-S12 PolarHBondContact O-N 2.7Å; C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.03Å |
| 10 | M | 58.5 | Low | 59 | Low | 120 Ų | 120 | 108.1 Ų | 108.1 | 59% | 0.591 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.6 | -44.8 | 178.8 | -70.4 | -71.3 | -114.6 | 0 | 0 | 111.4 | T6 A7 S12 V13 F14 | T6-M10 VanDerWaalsContact O-CG 3.25Å; T6-M10 WeakPolarHBondContact O-CG 3.25Å; T6-M10 PolarHBondContact O-N 3.43Å; A7-M10 PolarHBondContact O-N 3.01Å; M10-S12 VanDerWaalsContact C-N 3.27Å; M10-S12 PolarHBondContact O-N 3.42Å; M10-V13 PolarHBondContact O-N 2.97Å; M10-F14 WeakPolarHBondContact O-CD2 3.22Å; M10-F14 PolarHBondContact O-N 3.18Å |
| 11 | V | 58 | Low | 59.3 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.3 | -37 | 177.1 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | A7 V8 F14 F15 | A7-V11 VanDerWaalsContact O-CG2 3.29Å; A7-V11 WeakPolarHBondContact O-CG2 3.29Å; A7-V11 PolarHBondContact O-N 3.33Å; V8-V11 PolarHBondContact O-N 3.02Å; V11-F14 PolarHBondContact O-N 3.34Å; V11-F15 PolarHBondContact O-N 3.14Å; V11-F15 VanDerWaalsContact O-N 3.14Å |
| 12 | S | 55.6 | Low | 59.6 | Low | 71 Ų | 71 | 104.9 Ų | 104.9 | 50% | 0.497 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -68.9 | -36.2 | 177.1 | -52.6 | 0 | 0 | 0 | 0 | 112.7 | V8 C9 M10 A16 | V8-S12 WeakPolarHBondContact O-CB 3.27Å; V8-S12 PolarHBondContact O-N 3.31Å; V8-S12 PolarHBondContact O-OG 3.47Å; C9-S12 PolarHBondContact O-N 2.7Å; M10-S12 VanDerWaalsContact C-N 3.27Å; M10-S12 PolarHBondContact O-N 3.42Å; S12-A16 PolarHBondContact O-N 3.49Å |
| 13 | V | 56.8 | Low | 60.2 | Low | 92 Ų | 92 | 104.6 Ų | 104.6 | 56% | 0.558 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.4 | -37.2 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | C9 M10 F15 A16 | C9-V13 VanDerWaalsContact O-CG2 3.27Å; C9-V13 WeakPolarHBondContact O-CG2 3.44Å; C9-V13 PolarHBondContact O-N 3.03Å; M10-V13 PolarHBondContact O-N 2.97Å; V13-F15 VanDerWaalsContact C-N 3.35Å; V13-A16 PolarHBondContact O-N 3.36Å |
| 14 | F | 53.2 | Low | 60.3 | Low | 160 Ų | 160 | 105.3 Ų | 105.3 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -28.6 | 175.6 | -84 | -74.8 | 0 | 0 | 0 | 113.3 | M10 V11 | M10-F14 WeakPolarHBondContact O-CD2 3.22Å; M10-F14 PolarHBondContact O-N 3.18Å; V11-F14 PolarHBondContact O-N 3.34Å |
| 15 | F | 51.2 | Low | 60.3 | Low | 182 Ų | 182 | 107.4 Ų | 107.4 | 80% | 0.798 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76 | -20.4 | 175.1 | -117.1 | -93.5 | 0 | 0 | 0 | 113.8 | V11 V13 V17 | V11-F15 PolarHBondContact O-N 3.14Å; V11-F15 VanDerWaalsContact O-N 3.14Å; V13-F15 VanDerWaalsContact C-N 3.35Å; F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 3.49Å |
| 16 | A | 53.4 | Low | 60.2 | Low | 86 Ų | 86 | 109.5 Ų | 109.5 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S12 V13 | S12-A16 PolarHBondContact O-N 3.49Å; V13-A16 PolarHBondContact O-N 3.36Å |
| 17 | V | 59.4 | Low | 60.1 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 0.7 | -174.1 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | F15 | F15-V17 VanDerWaalsContact C-N 3.33Å; F15-V17 PolarHBondContact O-N 3.49Å |
| 18 | G | 60.2 | Low | 60 | Low | 66 Ų | 66 | 109.1 Ų | 109.1 | 68% | 0.68 | 66% | 0.657 | S | S | * | * | trans | -97.6 | 13.4 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 19 | V | 61.3 | Low | 59.7 | Low | 124 Ų | 124 | 109.5 Ų | 109.5 | 75% | 0.752 | 66% | 0.662 | S | S | * | * | trans | -125.1 | 81.6 | 172.2 | -167.5 | 0 | 0 | 0 | 0 | 109.5 | C21 | V19-C21 VanDerWaalsContact C-N 3.27Å; V19-C21 PolarHBondContact O-N 3.03Å | ||
| 20 | V | 66.6 | Low | 59.3 | Low | 118 Ų | 118 | 111.3 Ų | 111.3 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | trans | -70.8 | 94.9 | 158.8 | -179.8 | 0 | 0 | 0 | 0 | 105.9 | L22 | V20-L22 HydrophobicContact CG1-CG 4.1Å; V20-L22 PolarHBondContact O-N 2.98Å | ||
| 21 | C | 65.6 | Low | 58.9 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | trans | -64.6 | 88.9 | 164.7 | -66.1 | 0 | 0 | 0 | 0 | 107.5 | V19 | V19-C21 VanDerWaalsContact C-N 3.27Å; V19-C21 PolarHBondContact O-N 3.03Å | ||
| 22 | L | 66.4 | Low | 58.6 | Low | 143 Ų | 143 | 109.1 Ų | 109.1 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 122.6 | 161.9 | -77.2 | 158.6 | 0 | 0 | 0 | 106 | V20 L24 | V20-L22 HydrophobicContact CG1-CG 4.1Å; V20-L22 PolarHBondContact O-N 2.98Å; L22-L24 PolarHBondContact O-N 2.88Å; L22-L24 VanDerWaalsContact O-N 3.16Å |
| 23 | P | 71.4 | Confident | 58.6 | Low | 113 Ų | 113 | 110.4 Ų | 110.4 | 73% | 0.734 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 128.3 | 172.4 | 24.8 | -32.1 | 0 | 0 | 0 | 107.1 | P25 | P23-P25 WeakPolarHBondContact O-CD 3.45Å; P23-P25 VanDerWaalsContact O-N 3.12Å |
| 24 | L | 61.4 | Low | 58.5 | Low | 160 Ų | 160 | 106.8 Ų | 106.8 | 84% | 0.838 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 123.5 | 171.3 | -100.3 | 125.2 | 0 | 0 | 0 | 106.9 | L22 D26 | L22-L24 PolarHBondContact O-N 2.88Å; L22-L24 VanDerWaalsContact O-N 3.16Å; L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.28Å |
| 25 | P | 62.4 | Low | 58.4 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -63.6 | 103.4 | 172.9 | 24.1 | -29.8 | 0 | 0 | 0 | 106.9 | P23 S27 | P23-P25 WeakPolarHBondContact O-CD 3.45Å; P23-P25 VanDerWaalsContact O-N 3.12Å; P25-S27 PolarHBondContact O-N 3.16Å | ||
| 26 | D | 59.6 | Low | 58.3 | Low | 135 Ų | 135 | 101.3 Ų | 101.3 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | trans | -73.8 | 46 | 175.1 | -172 | 23.4 | 0 | 0 | 0 | 110.2 | L24 G28 L31 | L24-D26 VanDerWaalsContact C-N 3.34Å; L24-D26 PolarHBondContact O-N 3.28Å; D26-G28 PolarHBondContact O-N 2.86Å; D26-G28 VanDerWaalsContact O-N 3.09Å; D26-L31 WeakPolarHBondContact O-CD1 3.32Å | ||
| 27 | S | 56.1 | Low | 58.7 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | trans | -88.8 | 60.8 | -179.3 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | P25 | P25-S27 PolarHBondContact O-N 3.16Š| ||
| 28 | G | 62.2 | Low | 59.6 | Low | 29 Ų | 29 | 103 Ų | 103 | 30% | 0.299 | 62% | 0.623 | S | S | . | * | trans | -65.1 | 151.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D26 H30 L31 | D26-G28 PolarHBondContact O-N 2.86Å; D26-G28 VanDerWaalsContact O-N 3.09Å; G28-H30 PolarHBondContact O-N 2.85Å; G28-L31 PolarHBondContact O-N 3.35Å | ||
| 29 | P | 54.8 | Low | 60.9 | Low | 105 Ų | 105 | 102.3 Ų | 102.3 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -13.6 | 178.5 | 23 | -33.5 | 0 | 0 | 0 | 113.7 | L31 A32 | P29-L31 VanDerWaalsContact C-N 3.29Å; P29-L31 PolarHBondContact O-N 2.89Å; P29-A32 PolarHBondContact O-N 3.36Å |
| 30 | H | 50.4 | Low | 62.4 | Low | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.505 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -26.3 | 174.4 | -65.9 | -87 | 0 | 0 | 0 | 113.6 | G28 W35 | G28-H30 PolarHBondContact O-N 2.85Å; H30-W35 HydrophobicContact CB-CE3 4.01Å; H30-W35 AromaticContact CE1-CZ3 3.77Å; H30-W35 AromaticContact ND1-CE3 3.3Å; H30-W35 VanDerWaalsContact ND1-CE3 3.3Å; H30-W35 AromaticContact ND1-CH2 3.99Å; H30-W35 AromaticContact ND1-CZ3 3.11Å; H30-W35 WeakPolarHBondContact ND1-CZ3 3.36Å; H30-W35 WeakPolarHBondContact O-CB 3.38Å; H30-W35 PolarHBondContact O-N 2.8Å |
| 31 | L | 50.3 | Low | 63.7 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 43% | 0.429 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | -28.5 | 176.2 | -67.5 | -172.2 | 0 | 0 | 0 | 113.2 | D26 G28 P29 N33 G34 G36 | D26-L31 WeakPolarHBondContact O-CD1 3.32Å; G28-L31 PolarHBondContact O-N 3.35Å; P29-L31 VanDerWaalsContact C-N 3.29Å; P29-L31 PolarHBondContact O-N 2.89Å; L31-N33 PolarHBondContact O-N 3.01Å; L31-G34 PolarHBondContact O-N 3.5Å; L31-G36 VanDerWaalsContact CD2-CA 3.49Å |
| 32 | A | 53 | Low | 65.2 | Low | 88 Ų | 88 | 91.6 Ų | 91.6 | 73% | 0.727 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -27.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P29 | P29-A32 PolarHBondContact O-N 3.36Š|
| 33 | N | 54.2 | Low | 66.6 | Low | 97 Ų | 97 | 84.8 Ų | 84.8 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 11.2 | 178.3 | -62.1 | -8.6 | 0 | 0 | 0 | 113.1 | L31 R42 | L31-N33 PolarHBondContact O-N 3.01Å; N33-R42 PolarHBondContact O-NH2 2.88Å |
| 34 | G | 54.4 | Low | 67.9 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 17% | 0.165 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 22.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L31 G36 Q37 | L31-G34 PolarHBondContact O-N 3.5Å; G34-G36 VanDerWaalsContact C-N 3.26Å; G34-G36 PolarHBondContact O-N 2.91Å; G34-Q37 PolarHBondContact O-N 2.66Å |
| 35 | W | 52 | Low | 69.6 | Low | 177 Ų | 177 | 74.3 Ų | 74.3 | 67% | 0.67 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -17.2 | 175.7 | -74.3 | 6.3 | 0 | 0 | 0 | 113.9 | H30 | H30-W35 HydrophobicContact CB-CE3 4.01Å; H30-W35 AromaticContact CE1-CZ3 3.77Å; H30-W35 AromaticContact ND1-CE3 3.3Å; H30-W35 VanDerWaalsContact ND1-CE3 3.3Å; H30-W35 AromaticContact ND1-CH2 3.99Å; H30-W35 AromaticContact ND1-CZ3 3.11Å; H30-W35 WeakPolarHBondContact ND1-CZ3 3.36Å; H30-W35 WeakPolarHBondContact O-CB 3.38Å; H30-W35 PolarHBondContact O-N 2.8Å |
| 36 | G | 49.6 | Very low | 71.1 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L31 G34 | L31-G36 VanDerWaalsContact CD2-CA 3.49Å; G34-G36 VanDerWaalsContact C-N 3.26Å; G34-G36 PolarHBondContact O-N 2.91Å |
| 37 | Q | 60.5 | Low | 72.3 | Confident | 133 Ų | 133 | 64 Ų | 64 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | trans | -87 | 128.7 | 177.3 | -67.5 | -68.2 | -40.3 | 0 | 0 | 109.3 | G34 V39 | G34-Q37 PolarHBondContact O-N 2.66Å; Q37-V39 WeakPolarHBondContact CB-O 3.29Å; Q37-V39 PolarHBondContact O-N 3.14Å; Q37-V39 VanDerWaalsContact O-N 3.15Å | ||
| 38 | T | 78.3 | Confident | 73.6 | Confident | 103 Ų | 103 | 65.5 Ų | 65.5 | 63% | 0.632 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -56.2 | -30.3 | 174.5 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | P77 | T38-P77 HydrophobicContact CG2-CG 3.29Å; T38-P77 WeakPolarHBondContact O-CD 3.4Å |
| 39 | V | 89.1 | Confident | 74.7 | Confident | 50 Ų | 50 | 68.2 Ų | 68.2 | 30% | 0.303 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -104.6 | 128.6 | 179 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | Q37 E74 R76 | Q37-V39 WeakPolarHBondContact CB-O 3.29Å; Q37-V39 PolarHBondContact O-N 3.14Å; Q37-V39 VanDerWaalsContact O-N 3.15Å; V39-E74 HydrophobicContact CG1-CG 3.2Å; V39-E74 WeakPolarHBondContact CG1-OE1 3.31Å; V39-R76 HydrophobicContact CG2-CB 4.34Å; V39-R76 HydrophobicContact CG2-CG 4.1Å |
| 40 | R | 92.7 | Very high | 76.5 | Confident | 55 Ų | 55 | 64.3 Ų | 64.3 | 21% | 0.208 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.7 | -176.8 | -62.7 | 170.6 | -72.9 | 155.6 | -6.8 | 111 | R42 I75 E117 | R40-R42 HydrophobicContact CB-CG 4.27Å; R40-I75 HydrophobicContact CB-CB 4.38Å; R40-I75 PolarHBondContact N-O 2.81Å; R40-I75 VanDerWaalsContact NH2-CG2 3.26Å; R40-I75 PolarHBondContact O-N 3.36Å; R40-E117 IonicContact CZ-OE1 3.48Å; R40-E117 IonicContact CZ-OE2 2.8Å; R40-E117 IonicContact NH1-OE1 2.74Å; R40-E117 PolarHBondContact NH1-OE1 2.85Å; R40-E117 IonicContact NH1-OE2 3.5Å; R40-E117 PolarHBondContact NH1-OE2 2.85Å; R40-E117 IonicContact NH2-OE1 2.7Å; R40-E117 PolarHBondContact NH2-OE1 3.17Å; R40-E117 IonicContact NH2-OE2 3.63Å; R40-E117 PolarHBondContact NH2-OE2 2.91Å |
| 41 | L | 93.6 | Very high | 78.7 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 113.7 | 170.1 | -67 | 177.6 | 0 | 0 | 0 | 110.3 | L72 V73 E74 V88 T170 L175 | L41-L72 HydrophobicContact CB-CD1 4.37Å; L41-V73 WeakPolarHBondContact CA-O 3.13Å; L41-E74 HydrophobicContact CD2-CB 3.99Å; L41-E74 HydrophobicContact CD2-CG 4.32Å; L41-V88 HydrophobicContact CD2-CG2 3.77Å; L41-T170 HydrophobicContact CD1-CG2 4.2Å; L41-L175 HydrophobicContact CD1-CD2 4.33Å |
| 42 | R | 95.9 | Very high | 80.9 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 163.2 | -173.4 | -62.7 | -65.3 | 179.4 | -99.5 | 4.3 | 111.9 | N33 R40 V73 I75 P160 R161 | N33-R42 PolarHBondContact O-NH2 2.88Å; R40-R42 HydrophobicContact CB-CG 4.27Å; R42-V73 PolarHBondContact N-O 2.82Å; R42-V73 VanDerWaalsContact O-CG2 3.24Å; R42-V73 WeakPolarHBondContact O-CG2 3.32Å; R42-V73 PolarHBondContact O-N 2.84Å; R42-I75 HydrophobicContact CB-CD1 4.25Å; R42-I75 HydrophobicContact CG-CD1 4.49Å; R42-P160 HydrophobicContact CB-CB 4.14Å; R42-P160 HydrophobicContact CG-CB 4Å; R42-R161 CarbonylContact C-O 3.55Å; R42-R161 VanDerWaalsContact CA-O 3.29Å; R42-R161 WeakPolarHBondContact CA-O 3.45Å; R42-R161 WeakPolarHBondContact CD-O 3.48Å |
| 43 | H | 97.3 | Very high | 83 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 120.7 | 162 | -59.1 | -94.7 | 0 | 0 | 0 | 108.6 | Y45 Q67 S71 R161 S163 | H43-Y45 PolarHBondContact O-N 2.86Å; H43-Q67 HydrophobicContact CB-CG 4.31Å; H43-Q67 PolarHBondContact CD2-OE1 2.71Å; H43-Q67 VanDerWaalsContact CD2-OE1 3.3Å; H43-Q67 PolarHBondContact NE2-OE1 3.41Å; H43-S71 PolarHBondContact CE1-OG 2.81Å; H43-S71 PolarHBondContact ND1-O 2.98Å; H43-S71 PolarHBondContact ND1-OG 3.11Å; H43-R161 HydrophobicContact CB-CB 4.48Å; H43-R161 PolarHBondContact N-O 3.02Å; H43-R161 PolarHBondContact O-N 3.32Å; H43-S163 WeakPolarHBondContact NE2-CA 3.18Å; H43-S163 VanDerWaalsContact NE2-CB 3.33Å; H43-S163 WeakPolarHBondContact NE2-CB 3.47Å; H43-S163 PolarHBondContact NE2-OG 3.05Å |
| 44 | L | 97.7 | Very high | 85 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 104.8 | 177.6 | -67.9 | 177.7 | 0 | 0 | 0 | 110 | H52 L53 V73 I75 I85 Y127 F158 P160 | L44-H52 CarbonylContact O-C 3.59Å; L44-H52 WeakPolarHBondContact O-CA 3.14Å; L44-L53 HydrophobicContact CB-CB 4.08Å; L44-L53 PolarHBondContact O-N 3.21Å; L44-V73 HydrophobicContact CD1-CG2 4.15Å; L44-V73 HydrophobicContact CG-CG2 3.96Å; L44-I75 HydrophobicContact CD2-CD1 3.86Å; L44-I75 HydrophobicContact CG-CD1 4.43Å; L44-I85 HydrophobicContact CD1-CD1 4.01Å; L44-I85 HydrophobicContact CD1-CG2 4.28Å; L44-Y127 HydrophobicContact CD1-CE2 4.11Å; L44-Y127 HydrophobicContact CD2-CE2 3.91Å; L44-F158 HydrophobicContact CB-CB 4.27Å; L44-F158 HydrophobicContact CB-CD1 3.85Å; L44-F158 HydrophobicContact CB-CG 4.25Å; L44-F158 HydrophobicContact CD2-CB 4.29Å; L44-P160 HydrophobicContact CD2-CB 4.36Å; L44-P160 HydrophobicContact CD2-CG 4.25Å |
| 45 | Y | 97.1 | Very high | 87.1 | Confident | 54 Ų | 54 | 48.9 Ų | 48.9 | 21% | 0.212 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 114.6 | -173.6 | 179.7 | -114.8 | 0 | 0 | 0 | 112.5 | H43 A47 G50 L51 H52 F158 L159 | H43-Y45 PolarHBondContact O-N 2.86Å; Y45-A47 HydrophobicContact CD1-CB 3.88Å; Y45-A47 VanDerWaalsContact CE1-CA 3.43Å; Y45-A47 HydrophobicContact CE1-CB 3.67Å; Y45-A47 PolarHBondContact O-N 2.94Å; Y45-A47 VanDerWaalsContact O-N 3.12Å; Y45-G50 VanDerWaalsContact CE2-C 3.44Å; Y45-G50 WeakPolarHBondContact OH-CA 3.39Å; Y45-L51 CarbonylContact C-O 3.54Å; Y45-H52 AromaticContact CD2-CD2 3.64Å; Y45-H52 AromaticContact CD2-CE1 3.58Å; Y45-H52 AromaticContact CD2-ND1 3.96Å; Y45-H52 AromaticContact CD2-NE2 3.35Å; Y45-H52 WeakPolarHBondContact CD2-NE2 3.38Å; Y45-H52 AromaticContact CE2-CE1 3.86Å; Y45-H52 AromaticContact CG-NE2 3.98Å; Y45-F158 CarbonylContact O-C 3.48Å; Y45-F158 WeakPolarHBondContact O-CA 3.47Å; Y45-L159 WeakPolarHBondContact CB-O 3.37Å; Y45-L159 PolarHBondContact N-O 3.15Å; Y45-L159 PolarHBondContact O-N 3.24Å |
| 46 | A | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 85.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K48 H49 G50 L51 L138 Q157 F158 | A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3Å; A46-H49 PolarHBondContact O-N 2.79Å; A46-G50 PolarHBondContact O-N 3.44Å; A46-L51 PolarHBondContact N-O 2.91Å; A46-L51 PolarHBondContact O-N 2.8Å; A46-L138 HydrophobicContact CB-CD1 4.26Å; A46-Q157 WeakPolarHBondContact CA-O 3.35Å; A46-F158 HydrophobicContact CB-CD1 4.16Å; A46-F158 HydrophobicContact CB-CE1 4.06Å |
| 47 | A | 84.8 | Confident | 91.3 | Very high | 27 Ų | 27 | 44 Ų | 44 | 22% | 0.223 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -57.4 | -38.6 | -167 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y45 H49 G50 Y124 | Y45-A47 HydrophobicContact CD1-CB 3.88Å; Y45-A47 VanDerWaalsContact CE1-CA 3.43Å; Y45-A47 HydrophobicContact CE1-CB 3.67Å; Y45-A47 PolarHBondContact O-N 2.94Å; Y45-A47 VanDerWaalsContact O-N 3.12Å; A47-H49 PolarHBondContact O-N 3.19Å; A47-G50 PolarHBondContact O-N 3.17Å; A47-Y124 HydrophobicContact CB-CE1 3.57Å; A47-Y124 WeakPolarHBondContact CB-OH 3.44Å |
| 48 | K | 84.1 | Confident | 92.9 | Very high | 131 Ų | 131 | 42.9 Ų | 42.9 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -60 | -20.9 | 178.9 | -73.5 | 177.6 | 176.6 | 158.3 | 0 | 113.6 | A46 A154 | A46-K48 VanDerWaalsContact C-N 3.33Å; A46-K48 PolarHBondContact O-N 3Å; K48-A154 HydrophobicContact CB-CB 4.07Å; K48-A154 HydrophobicContact CD-CB 3.35Å; K48-A154 HydrophobicContact CG-CB 4.32Å |
| 49 | H | 84.9 | Confident | 93.4 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 40% | 0.398 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -119.5 | -6.4 | -177.5 | -60.1 | 78.5 | 0 | 0 | 0 | 113.1 | A46 A47 L51 A154 L155 | A46-H49 PolarHBondContact O-N 2.79Å; A47-H49 PolarHBondContact O-N 3.19Å; H49-L51 HydrophobicContact CB-CD1 4.27Å; H49-L51 HydrophobicContact CB-CG 4.31Å; H49-A154 VanDerWaalsContact CE1-CB 3.49Å; H49-A154 WeakPolarHBondContact CE1-CB 3.49Å; H49-L155 HydrophobicContact CB-CD2 3.65Å; H49-L155 VanDerWaalsContact CD2-CD2 3.43Å; H49-L155 WeakPolarHBondContact CD2-CD2 3.44Å; H49-L155 WeakPolarHBondContact CE1-CG 3.27Å; H49-L155 VanDerWaalsContact ND1-CD2 3.26Å; H49-L155 WeakPolarHBondContact ND1-CD2 3.37Å; H49-L155 WeakPolarHBondContact NE2-CG 3.29Å |
| 50 | G | 92.4 | Very high | 93.7 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 23% | 0.227 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 30.9 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y45 A46 A47 P65 | Y45-G50 VanDerWaalsContact CE2-C 3.44Å; Y45-G50 WeakPolarHBondContact OH-CA 3.39Å; A46-G50 PolarHBondContact O-N 3.44Å; A47-G50 PolarHBondContact O-N 3.17Å; G50-P65 WeakPolarHBondContact O-CA 2.96Å |
| 51 | L | 95.4 | Very high | 93.8 | Very high | 49 Ų | 49 | 41 Ų | 41 | 26% | 0.257 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.6 | -174.7 | -60.6 | 174.4 | 0 | 0 | 0 | 112.4 | Y45 A46 H49 S64 L138 | Y45-L51 CarbonylContact C-O 3.54Å; A46-L51 PolarHBondContact N-O 2.91Å; A46-L51 PolarHBondContact O-N 2.8Å; H49-L51 HydrophobicContact CB-CD1 4.27Å; H49-L51 HydrophobicContact CB-CG 4.31Å; L51-S64 CarbonylContact C-O 3.54Å; L51-S64 WeakPolarHBondContact CA-O 3.35Å; L51-L138 HydrophobicContact CB-CD1 4.09Å |
| 52 | H | 97.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135.6 | 167.1 | -55.6 | 88.2 | 0 | 0 | 0 | 109.8 | L44 Y45 L54 G63 S64 P65 R161 | L44-H52 CarbonylContact O-C 3.59Å; L44-H52 WeakPolarHBondContact O-CA 3.14Å; Y45-H52 AromaticContact CD2-CD2 3.64Å; Y45-H52 AromaticContact CD2-CE1 3.58Å; Y45-H52 AromaticContact CD2-ND1 3.96Å; Y45-H52 AromaticContact CD2-NE2 3.35Å; Y45-H52 WeakPolarHBondContact CD2-NE2 3.38Å; Y45-H52 AromaticContact CE2-CE1 3.86Å; Y45-H52 AromaticContact CG-NE2 3.98Å; H52-L54 PolarHBondContact O-N 2.82Å; H52-G63 CarbonylContact O-C 3.57Å; H52-G63 VanDerWaalsContact O-CA 3.31Å; H52-G63 WeakPolarHBondContact O-CA 3.45Å; H52-S64 PolarHBondContact N-O 3.12Å; H52-S64 PolarHBondContact ND1-O 2.87Å; H52-S64 PolarHBondContact O-N 3.1Å; H52-P65 PolarHBondContact CE1-O 3.12Å; H52-P65 VanDerWaalsContact CE1-O 3.24Å; H52-P65 PolarHBondContact ND1-O 3.36Å; H52-P65 VanDerWaalsContact ND1-O 3.15Å; H52-R161 PolarHBondContact NE2-NH1 3.41Å; H52-R161 VanDerWaalsContact NE2-NH1 3.17Å |
| 53 | L | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 126.3 | 170.9 | -175.5 | 146.8 | 0 | 0 | 0 | 109.4 | L44 I55 V61 S71 V73 L94 V136 L138 F158 | L44-L53 HydrophobicContact CB-CB 4.08Å; L44-L53 PolarHBondContact O-N 3.21Å; L53-I55 HydrophobicContact CD2-CD1 3.94Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; L53-V61 HydrophobicContact CD1-CG1 4.47Å; L53-V61 HydrophobicContact CD2-CG1 4.48Å; L53-V61 HydrophobicContact CG-CG1 4.25Å; L53-S71 VanDerWaalsContact O-CA 3.28Å; L53-S71 WeakPolarHBondContact O-CA 3.11Å; L53-S71 WeakPolarHBondContact O-CB 3.5Å; L53-V73 HydrophobicContact CD2-CG1 4.17Å; L53-L94 HydrophobicContact CD1-CD2 3.84Å; L53-V136 HydrophobicContact CD1-CG1 4.22Å; L53-L138 HydrophobicContact CB-CD2 4.19Å; L53-L138 HydrophobicContact CD1-CD2 4.1Å; L53-L138 HydrophobicContact CG-CD2 4.02Å; L53-F158 HydrophobicContact CB-CE1 4.44Å; L53-F158 HydrophobicContact CD1-CE1 4.48Å; L53-F158 HydrophobicContact CD1-CZ 4.5Å |
| 54 | L | 97 | Very high | 93.7 | Very high | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.7 | -179 | -168.7 | 153.1 | 0 | 0 | 0 | 109.7 | H52 N56 V61 H62 | H52-L54 PolarHBondContact O-N 2.82Å; L54-N56 HydrophobicContact CD2-CB 3.94Å; L54-V61 WeakPolarHBondContact O-CA 3.33Å; L54-H62 VanDerWaalsContact CD2-CE1 3.47Å; L54-H62 WeakPolarHBondContact CD2-CE1 3.04Å; L54-H62 PolarHBondContact N-O 3.09Å; L54-H62 PolarHBondContact O-N 3.23Å; L54-H62 VanDerWaalsContact O-N 3.08Å |
| 55 | I | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 110.8 | 175.9 | -59.6 | 175.2 | 0 | 0 | 0 | 107.4 | L53 V61 Y70 V73 A90 Q92 L94 A104 | L53-I55 HydrophobicContact CD2-CD1 3.94Å; L53-I55 HydrophobicContact CD2-CG1 3.66Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; I55-Y70 PolarHBondContact N-O 3.22Å; I55-Y70 WeakPolarHBondContact O-CD1 3.22Å; I55-V73 HydrophobicContact CD1-CG1 4.02Å; I55-A90 HydrophobicContact CG2-CB 4.09Å; I55-A90 WeakPolarHBondContact O-CB 3.47Å; I55-Q92 HydrophobicContact CG2-CB 4.2Å; I55-L94 HydrophobicContact CD1-CB 4.04Å; I55-A104 HydrophobicContact CG2-CB 3.51Å |
| 56 | N | 95.2 | Very high | 93.5 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 25% | 0.251 | 28% | 0.281 | S | S | . | . | trans | -92.8 | 156.9 | -176.9 | -165.2 | -7.2 | 0 | 0 | 0 | 111.1 | L54 N58 G59 K60 | L54-N56 HydrophobicContact CD2-CB 3.94Å; N56-N58 WeakPolarHBondContact CB-OD1 3.11Å; N56-N58 PolarHBondContact O-N 3.15Å; N56-G59 PolarHBondContact O-N 2.7Å; N56-K60 PolarHBondContact N-O 3.44Å; N56-K60 VanDerWaalsContact N-O 3.08Å | ||
| 57 | D | 94.5 | Very high | 93.7 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 41% | 0.412 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -30.3 | -179.9 | -71.4 | -31.3 | 0 | 0 | 0 | 113.3 | G59 Y70 A90 Q92 | D57-G59 PolarHBondContact O-N 2.8Å; D57-Y70 VanDerWaalsContact CG-CE1 3.47Å; D57-Y70 WeakPolarHBondContact OD1-CE1 3.31Å; D57-Y70 VanDerWaalsContact OD2-CE1 3.26Å; D57-Y70 WeakPolarHBondContact OD2-CE1 3.46Å; D57-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y70 PolarHBondContact OD2-OH 2.81Å; D57-A90 WeakPolarHBondContact OD1-CA 3.47Å; D57-A90 WeakPolarHBondContact OD1-CB 3.12Å; D57-Q92 PolarHBondContact O-NE2 3.18Å |
| 58 | N | 93.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 53.4 Ų | 53.4 | 59% | 0.594 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | 5.7 | 178.1 | 65.2 | 11.7 | 0 | 0 | 0 | 114.3 | N56 K60 | N56-N58 WeakPolarHBondContact CB-OD1 3.11Å; N56-N58 PolarHBondContact O-N 3.15Å; N58-K60 VanDerWaalsContact C-N 3.31Å; N58-K60 PolarHBondContact O-N 3.32Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å |
| 59 | G | 89.9 | Confident | 94.7 | Very high | 18 Ų | 18 | 48.9 Ų | 48.9 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 84.9 | -0.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | N56 D57 A104 | N56-G59 PolarHBondContact O-N 2.7Å; D57-G59 PolarHBondContact O-N 2.8Å; G59-A104 PolarHBondContact O-N 2.95Å |
| 60 | K | 93.4 | Very high | 95.3 | Very high | 128 Ų | 128 | 48.4 Ų | 48.4 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | trans | -86 | 133.7 | -179.3 | -170.1 | -179.5 | 177.8 | -175.3 | 0 | 111.4 | N56 N58 | N56-K60 PolarHBondContact N-O 3.44Å; N56-K60 VanDerWaalsContact N-O 3.08Å; N58-K60 VanDerWaalsContact C-N 3.31Å; N58-K60 PolarHBondContact O-N 3.32Å; N58-K60 WeakPolarHBondContact OD1-CB 3.41Å; N58-K60 PolarHBondContact OD1-N 2.93Å | ||
| 61 | V | 96.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 129.8 | 173.2 | -176.3 | 0 | 0 | 0 | 0 | 109.7 | L53 L54 I55 L94 L102 A104 | L53-V61 HydrophobicContact CD1-CG1 4.47Å; L53-V61 HydrophobicContact CD2-CG1 4.48Å; L53-V61 HydrophobicContact CG-CG1 4.25Å; L54-V61 WeakPolarHBondContact O-CA 3.33Å; I55-V61 HydrophobicContact CG1-CG2 4.44Å; V61-L94 HydrophobicContact CB-CD1 4.32Å; V61-L94 HydrophobicContact CG1-CD1 3.78Å; V61-L94 HydrophobicContact CG2-CD1 3.73Å; V61-L102 HydrophobicContact CB-CB 3.98Å; V61-L102 HydrophobicContact CG1-CB 4.01Å; V61-L102 HydrophobicContact CG1-CD1 4.12Å; V61-L102 HydrophobicContact CG2-CB 4.34Å; V61-A104 HydrophobicContact CG2-CB 4.16Å |
| 62 | H | 94.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 45.3 Ų | 45.3 | 31% | 0.306 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 180 | 177.4 | 60.2 | -75.1 | 0 | 0 | 0 | 111.5 | L54 | L54-H62 VanDerWaalsContact CD2-CE1 3.47Å; L54-H62 WeakPolarHBondContact CD2-CE1 3.04Å; L54-H62 PolarHBondContact N-O 3.09Å; L54-H62 PolarHBondContact O-N 3.23Å; L54-H62 VanDerWaalsContact O-N 3.08Å |
| 63 | G | 94.9 | Very high | 95.6 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 24% | 0.237 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H52 | H52-G63 CarbonylContact O-C 3.57Å; H52-G63 VanDerWaalsContact O-CA 3.31Å; H52-G63 WeakPolarHBondContact O-CA 3.45Å |
| 64 | S | 94.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 46.8 Ų | 46.8 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137.9 | 172.7 | 171.4 | 0 | 0 | 0 | 0 | 111 | L51 H52 E66 | L51-S64 CarbonylContact C-O 3.54Å; L51-S64 WeakPolarHBondContact CA-O 3.35Å; H52-S64 PolarHBondContact N-O 3.12Å; H52-S64 PolarHBondContact ND1-O 2.87Å; H52-S64 PolarHBondContact O-N 3.1Å; S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 2.88Å; S64-E66 PolarHBondContact OG-N 3.48Å; S64-E66 PolarHBondContact OG-O 2.94Å |
| 65 | P | 95.7 | Very high | 95.6 | Very high | 93 Ų | 93 | 46 Ų | 46 | 60% | 0.604 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -64.8 | -31.6 | 177.9 | 26.6 | -33.7 | 0 | 0 | 0 | 113 | G50 H52 | G50-P65 WeakPolarHBondContact O-CA 2.96Å; H52-P65 PolarHBondContact CE1-O 3.12Å; H52-P65 VanDerWaalsContact CE1-O 3.24Å; H52-P65 PolarHBondContact ND1-O 3.36Å; H52-P65 VanDerWaalsContact ND1-O 3.15Å |
| 66 | E | 95.5 | Very high | 95.4 | Very high | 147 Ų | 147 | 51.8 Ų | 51.8 | 69% | 0.687 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -107.8 | 154.9 | -175.1 | -64.8 | -179.6 | -176.8 | 0 | 0 | 112.1 | S64 | S64-E66 VanDerWaalsContact C-N 3.27Å; S64-E66 PolarHBondContact O-N 2.88Å; S64-E66 PolarHBondContact OG-N 3.48Å; S64-E66 PolarHBondContact OG-O 2.94Å |
| 67 | Q | 96.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | trans | -71.1 | 135 | 168.5 | -67.6 | -170.1 | 5.9 | 0 | 0 | 109.7 | H43 V162 T164 L165 | H43-Q67 HydrophobicContact CB-CG 4.31Å; H43-Q67 PolarHBondContact CD2-OE1 2.71Å; H43-Q67 VanDerWaalsContact CD2-OE1 3.3Å; H43-Q67 PolarHBondContact NE2-OE1 3.41Å; Q67-V162 PolarHBondContact NE2-O 2.96Å; Q67-V162 VanDerWaalsContact NE2-O 3.14Å; Q67-T164 PolarHBondContact OE1-OG1 3.08Å; Q67-L165 HydrophobicContact CB-CD2 4.32Å; Q67-L165 HydrophobicContact CB-CG 4.44Å | ||
| 68 | S | 95.8 | Very high | 95.5 | Very high | 33 Ų | 33 | 51.1 Ų | 51.1 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | trans | -140 | 167.8 | 171.5 | 70 | 0 | 0 | 0 | 0 | 110.1 | Y70 S71 L72 L165 | S68-Y70 PolarHBondContact O-N 2.97Å; S68-Y70 PolarHBondContact OG-N 3.08Å; S68-S71 PolarHBondContact N-OG 3.5Å; S68-S71 PolarHBondContact O-N 3.37Å; S68-S71 PolarHBondContact O-OG 2.04Å; S68-S71 PolarHBondContact OG-N 2.81Å; S68-L72 PolarHBondContact O-N 2.82Å; S68-L165 VanDerWaalsContact C-CD1 3.46Å | ||
| 69 | S | 95.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -54.3 | -35.3 | 174 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | S71 L72 A89 | S69-S71 VanDerWaalsContact C-N 3.32Å; S69-S71 PolarHBondContact O-N 2.87Å; S69-L72 PolarHBondContact O-N 3.37Å; S69-A89 WeakPolarHBondContact O-CB 3.43Å |
| 70 | Y | 96.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -75.5 | -15.4 | 176.7 | -68.4 | -73.4 | 0 | 0 | 0 | 115 | I55 D57 S68 A89 A90 | I55-Y70 PolarHBondContact N-O 3.22Å; I55-Y70 WeakPolarHBondContact O-CD1 3.22Å; D57-Y70 VanDerWaalsContact CG-CE1 3.47Å; D57-Y70 WeakPolarHBondContact OD1-CE1 3.31Å; D57-Y70 VanDerWaalsContact OD2-CE1 3.26Å; D57-Y70 WeakPolarHBondContact OD2-CE1 3.46Å; D57-Y70 VanDerWaalsContact OD2-CZ 3.31Å; D57-Y70 PolarHBondContact OD2-OH 2.81Å; S68-Y70 PolarHBondContact O-N 2.97Å; S68-Y70 PolarHBondContact OG-N 3.08Å; Y70-A89 HydrophobicContact CD1-CB 3.83Å; Y70-A89 HydrophobicContact CE1-CB 3.98Å; Y70-A89 HydrophobicContact CG-CB 4.29Å; Y70-A90 HydrophobicContact CD1-CB 4.25Å; Y70-A90 HydrophobicContact CE1-CB 4.43Å |
| 71 | S | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -95.1 | -6.5 | 173.9 | 71.7 | 0 | 0 | 0 | 0 | 113.3 | H43 L53 S68 S69 | H43-S71 PolarHBondContact CE1-OG 2.81Å; H43-S71 PolarHBondContact ND1-O 2.98Å; H43-S71 PolarHBondContact ND1-OG 3.11Å; L53-S71 VanDerWaalsContact O-CA 3.28Å; L53-S71 WeakPolarHBondContact O-CA 3.11Å; L53-S71 WeakPolarHBondContact O-CB 3.5Å; S68-S71 PolarHBondContact N-OG 3.5Å; S68-S71 PolarHBondContact O-N 3.37Å; S68-S71 PolarHBondContact O-OG 2.04Å; S68-S71 PolarHBondContact OG-N 2.81Å; S69-S71 VanDerWaalsContact C-N 3.32Å; S69-S71 PolarHBondContact O-N 2.87Å |
| 72 | L | 97.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 123.1 | 173.2 | -174.8 | 66.4 | 0 | 0 | 0 | 108.7 | L41 S68 S69 V88 | L41-L72 HydrophobicContact CB-CD1 4.37Å; S68-L72 PolarHBondContact O-N 2.82Å; S69-L72 PolarHBondContact O-N 3.37Å; L72-V88 HydrophobicContact CD2-CB 4.36Å; L72-V88 HydrophobicContact CD2-CG2 4.19Å; L72-V88 HydrophobicContact CG-CB 4.42Å; L72-V88 HydrophobicContact CG-CG2 4Å; L72-V88 PolarHBondContact O-N 3.09Å |
| 73 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.1 | 179.3 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | L41 R42 L44 L53 I55 I75 I85 K86 | L41-V73 WeakPolarHBondContact CA-O 3.13Å; R42-V73 PolarHBondContact N-O 2.82Å; R42-V73 VanDerWaalsContact O-CG2 3.24Å; R42-V73 WeakPolarHBondContact O-CG2 3.32Å; R42-V73 PolarHBondContact O-N 2.84Å; L44-V73 HydrophobicContact CD1-CG2 4.15Å; L44-V73 HydrophobicContact CG-CG2 3.96Å; L53-V73 HydrophobicContact CD2-CG1 4.17Å; I55-V73 HydrophobicContact CD1-CG1 4.02Å; V73-I75 HydrophobicContact CG2-CD1 4.49Å; V73-I75 HydrophobicContact CG2-CG1 4.09Å; V73-I85 HydrophobicContact CB-CG2 3.81Å; V73-I85 HydrophobicContact CG1-CG2 4.05Å; V73-I85 HydrophobicContact CG2-CG2 3.96Å; V73-K86 CarbonylContact C-O 3.54Å; V73-K86 WeakPolarHBondContact CA-O 3.4Å |
| 74 | E | 96.4 | Very high | 96 | Very high | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.164 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.9 | 163.6 | -172.4 | -169.1 | 143.3 | 0 | 0 | 108.8 | V39 L41 R76 I85 K86 V88 | V39-E74 HydrophobicContact CG1-CG 3.2Å; V39-E74 WeakPolarHBondContact CG1-OE1 3.31Å; L41-E74 HydrophobicContact CD2-CB 3.99Å; L41-E74 HydrophobicContact CD2-CG 4.32Å; E74-R76 IonicContact OE1-CZ 2.63Å; E74-R76 VanDerWaalsContact OE1-CZ 3.24Å; E74-R76 IonicContact OE1-NE 3.41Å; E74-R76 PolarHBondContact OE1-NE 3.45Å; E74-R76 IonicContact OE1-NH2 3.32Å; E74-R76 PolarHBondContact OE1-NH2 3.01Å; E74-I85 CarbonylContact O-C 3.58Å; E74-I85 WeakPolarHBondContact O-CA 3.13Å; E74-K86 HydrophobicContact CB-CB 4.39Å; E74-K86 PolarHBondContact N-O 3.25Å; E74-K86 PolarHBondContact O-N 2.93Å; E74-V88 HydrophobicContact CB-CG2 4.37Å |
| 75 | I | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 113 | 174.1 | -48.1 | 173.1 | 0 | 0 | 0 | 107.5 | R40 R42 L44 V73 V83 I85 | R40-I75 HydrophobicContact CB-CB 4.38Å; R40-I75 PolarHBondContact N-O 2.81Å; R40-I75 VanDerWaalsContact NH2-CG2 3.26Å; R40-I75 PolarHBondContact O-N 3.36Å; R42-I75 HydrophobicContact CB-CD1 4.25Å; R42-I75 HydrophobicContact CG-CD1 4.49Å; L44-I75 HydrophobicContact CD2-CD1 3.86Å; L44-I75 HydrophobicContact CG-CD1 4.43Å; V73-I75 HydrophobicContact CG2-CD1 4.49Å; V73-I75 HydrophobicContact CG2-CG1 4.09Å; I75-V83 HydrophobicContact CG2-CB 3.79Å; I75-V83 HydrophobicContact CG2-CG1 3.96Å; I75-V83 HydrophobicContact CG2-CG2 3.93Å; I75-I85 HydrophobicContact CG1-CG1 4.49Å; I75-I85 HydrophobicContact CG2-CG1 4.35Å |
| 76 | R | 95.3 | Very high | 96.3 | Very high | 121 Ų | 121 | 44.6 Ų | 44.6 | 46% | 0.457 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.4 | -175.9 | 178.3 | -177.2 | -62.1 | -149.6 | 0.1 | 110.1 | V39 E74 V78 V83 A84 | V39-R76 HydrophobicContact CG2-CB 4.34Å; V39-R76 HydrophobicContact CG2-CG 4.1Å; E74-R76 IonicContact OE1-CZ 2.63Å; E74-R76 VanDerWaalsContact OE1-CZ 3.24Å; E74-R76 IonicContact OE1-NE 3.41Å; E74-R76 PolarHBondContact OE1-NE 3.45Å; E74-R76 IonicContact OE1-NH2 3.32Å; E74-R76 PolarHBondContact OE1-NH2 3.01Å; R76-V78 PolarHBondContact O-N 2.9Å; R76-V83 CarbonylContact O-C 3.49Å; R76-V83 WeakPolarHBondContact O-CA 3.2Å; R76-A84 PolarHBondContact N-O 3Å; R76-A84 PolarHBondContact O-N 2.9Å |
| 77 | P | 95.5 | Very high | 96.4 | Very high | 59 Ų | 59 | 37.6 Ų | 37.6 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 134.6 | 171.4 | 28.5 | -33 | 0 | 0 | 0 | 110 | T38 C82 | T38-P77 HydrophobicContact CG2-CG 3.29Å; T38-P77 WeakPolarHBondContact O-CD 3.4Å; P77-C82 WeakPolarHBondContact CA-O 3.25Å |
| 78 | V | 95.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 37.1 Ų | 37.1 | 30% | 0.303 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | -18.1 | 179.2 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | R76 C82 A84 | R76-V78 PolarHBondContact O-N 2.9Å; V78-C82 HydrophobicContact CG2-CB 4.14Å; V78-C82 PolarHBondContact N-O 3.49Å; V78-A84 HydrophobicContact CG1-CB 3.56Å |
| 79 | D | 94.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 36.7 Ų | 36.7 | 43% | 0.428 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 177.8 | 175.3 | -145.3 | -37.7 | 0 | 0 | 0 | 108.9 | G81 C82 K110 | D79-G81 PolarHBondContact O-N 2.87Å; D79-C82 HydrophobicContact CB-CB 3.8Å; D79-C82 PolarHBondContact N-O 3.39Å; D79-C82 PolarHBondContact O-N 3.11Å; D79-K110 IonicContact OD2-NZ 2.98Å; D79-K110 PolarHBondContact OD2-NZ 2.85Å |
| 80 | T | 93.6 | Very high | 96.4 | Very high | 133 Ų | 133 | 35.2 Ų | 35.2 | 82% | 0.816 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 108.4 | 178.8 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | C82 | T80-C82 PolarHBondContact O-N 3.45Š|
| 81 | G | 92.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 34.7 Ų | 34.7 | 47% | 0.474 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 6.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D79 K116 E117 | D79-G81 PolarHBondContact O-N 2.87Å; G81-K116 CarbonylContact O-C 3.59Å; G81-K116 WeakPolarHBondContact O-CA 3.43Å; G81-E117 PolarHBondContact O-N 2.76Å |
| 82 | C | 96.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 35.3 Ų | 35.3 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.9 | 177.9 | -63.6 | 0 | 0 | 0 | 0 | 111 | P77 V78 D79 T80 F115 | P77-C82 WeakPolarHBondContact CA-O 3.25Å; V78-C82 HydrophobicContact CG2-CB 4.14Å; V78-C82 PolarHBondContact N-O 3.49Å; D79-C82 HydrophobicContact CB-CB 3.8Å; D79-C82 PolarHBondContact N-O 3.39Å; D79-C82 PolarHBondContact O-N 3.11Å; T80-C82 PolarHBondContact O-N 3.45Å; C82-F115 CarbonylContact C-O 3.52Å; C82-F115 VanDerWaalsContact CA-O 3.29Å; C82-F115 WeakPolarHBondContact CA-O 3.26Å |
| 83 | V | 97.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.024 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 148.1 | 179.9 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | I75 R76 I85 F115 E117 Y127 | I75-V83 HydrophobicContact CG2-CB 3.79Å; I75-V83 HydrophobicContact CG2-CG1 3.96Å; I75-V83 HydrophobicContact CG2-CG2 3.93Å; R76-V83 CarbonylContact O-C 3.49Å; R76-V83 WeakPolarHBondContact O-CA 3.2Å; V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-I85 HydrophobicContact CG2-CG1 4.21Å; V83-F115 PolarHBondContact N-O 3.01Å; V83-F115 PolarHBondContact O-N 3.44Å; V83-E117 HydrophobicContact CG1-CB 4.26Å; V83-E117 HydrophobicContact CG2-CB 4.21Å; V83-Y127 HydrophobicContact CG2-CD1 3.82Å; V83-Y127 HydrophobicContact CG2-CE1 3.79Å |
| 84 | A | 98.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R76 V78 Y93 Y108 | R76-A84 PolarHBondContact N-O 3Å; R76-A84 PolarHBondContact O-N 2.9Å; V78-A84 HydrophobicContact CG1-CB 3.56Å; A84-Y93 HydrophobicContact CB-CD1 4.39Å; A84-Y108 HydrophobicContact CB-CD2 4.33Å; A84-Y108 HydrophobicContact CB-CE2 3.75Å |
| 85 | I | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.4 | 177.5 | -60.5 | 165 | 0 | 0 | 0 | 107.2 | L44 V73 E74 I75 V83 Y93 L94 F115 Y127 | L44-I85 HydrophobicContact CD1-CD1 4.01Å; L44-I85 HydrophobicContact CD1-CG2 4.28Å; V73-I85 HydrophobicContact CB-CG2 3.81Å; V73-I85 HydrophobicContact CG1-CG2 4.05Å; V73-I85 HydrophobicContact CG2-CG2 3.96Å; E74-I85 CarbonylContact O-C 3.58Å; E74-I85 WeakPolarHBondContact O-CA 3.13Å; I75-I85 HydrophobicContact CG1-CG1 4.49Å; I75-I85 HydrophobicContact CG2-CG1 4.35Å; V83-I85 HydrophobicContact CG2-CD1 4.47Å; V83-I85 HydrophobicContact CG2-CG1 4.21Å; I85-Y93 CarbonylContact O-C 3.54Å; I85-Y93 WeakPolarHBondContact O-CA 3.42Å; I85-L94 HydrophobicContact CB-CB 4.09Å; I85-L94 HydrophobicContact CB-CD2 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4.08Å; I85-L94 HydrophobicContact CG2-CB 4.25Å; I85-L94 HydrophobicContact CG2-CD2 4.24Å; I85-L94 PolarHBondContact O-N 2.74Å; I85-F115 HydrophobicContact CD1-CD2 4.22Å; I85-Y127 HydrophobicContact CD1-CD1 3.96Å; I85-Y127 HydrophobicContact CD1-CD2 4.45Å; I85-Y127 HydrophobicContact CD1-CE1 4.15Å; I85-Y127 HydrophobicContact CD1-CG 4.13Å |
| 86 | K | 98.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 36 Ų | 36 | 23% | 0.23 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.8 | -178.5 | -173.3 | -173 | 174.7 | -169.4 | 0 | 110.3 | V73 E74 V88 Q92 Y93 | V73-K86 CarbonylContact C-O 3.54Å; V73-K86 WeakPolarHBondContact CA-O 3.4Å; E74-K86 HydrophobicContact CB-CB 4.39Å; E74-K86 PolarHBondContact N-O 3.25Å; E74-K86 PolarHBondContact O-N 2.93Å; K86-V88 PolarHBondContact O-N 3.03Å; K86-Q92 CarbonylContact C-O 3.59Å; K86-Q92 WeakPolarHBondContact CA-O 3.18Å; K86-Y93 HydrophobicContact CB-CD1 3.9Å; K86-Y93 HydrophobicContact CB-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE2 4.48Å; K86-Y93 HydrophobicContact CG-CD1 4.17Å; K86-Y93 HydrophobicContact CG-CE1 4.16Å |
| 87 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S91 Q92 | G87-S91 VanDerWaalsContact O-CA 3.29Å; G87-S91 WeakPolarHBondContact O-CA 3.32Å; G87-S91 PolarHBondContact O-N 3.42Å; G87-Q92 PolarHBondContact N-O 2.98Å; G87-Q92 PolarHBondContact O-N 3.01Å |
| 88 | V | 95.8 | Very high | 96.3 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -59 | -175.1 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | L41 L72 E74 K86 A90 S91 F173 | L41-V88 HydrophobicContact CD2-CG2 3.77Å; L72-V88 HydrophobicContact CD2-CB 4.36Å; L72-V88 HydrophobicContact CD2-CG2 4.19Å; L72-V88 HydrophobicContact CG-CB 4.42Å; L72-V88 HydrophobicContact CG-CG2 4Å; L72-V88 PolarHBondContact O-N 3.09Å; E74-V88 HydrophobicContact CB-CG2 4.37Å; K86-V88 PolarHBondContact O-N 3.03Å; V88-A90 PolarHBondContact O-N 3.38Å; V88-S91 PolarHBondContact O-N 3.46Å; V88-S91 PolarHBondContact O-OG 2.89Å; V88-F173 HydrophobicContact CG1-CB 3.87Å; V88-F173 HydrophobicContact CG1-CD1 3.81Å; V88-F173 HydrophobicContact CG1-CD2 3.54Å; V88-F173 HydrophobicContact CG1-CE1 4.26Å; V88-F173 HydrophobicContact CG1-CE2 4.06Å; V88-F173 HydrophobicContact CG1-CG 3.45Å; V88-F173 VanDerWaalsContact CG1-CG 3.45Å; V88-F173 HydrophobicContact CG1-CZ 4.4Å |
| 89 | A | 94.9 | Very high | 96 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 20% | 0.198 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -46.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S69 Y70 S91 F173 | S69-A89 WeakPolarHBondContact O-CB 3.43Å; Y70-A89 HydrophobicContact CD1-CB 3.83Å; Y70-A89 HydrophobicContact CE1-CB 3.98Å; Y70-A89 HydrophobicContact CG-CB 4.29Å; A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.11Å; A89-F173 HydrophobicContact CB-CZ 4.42Å |
| 90 | A | 96.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 31.7 Ų | 31.7 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | I55 D57 Y70 V88 Q92 | I55-A90 HydrophobicContact CG2-CB 4.09Å; I55-A90 WeakPolarHBondContact O-CB 3.47Å; D57-A90 WeakPolarHBondContact OD1-CA 3.47Å; D57-A90 WeakPolarHBondContact OD1-CB 3.12Å; Y70-A90 HydrophobicContact CD1-CB 4.25Å; Y70-A90 HydrophobicContact CE1-CB 4.43Å; V88-A90 PolarHBondContact O-N 3.38Å; A90-Q92 HydrophobicContact CB-CB 4.42Å; A90-Q92 WeakPolarHBondContact O-CG 3.01Å; A90-Q92 PolarHBondContact O-N 3.37Å; A90-Q92 VanDerWaalsContact O-N 3.14Å; A90-Q92 PolarHBondContact O-NE2 3.08Å |
| 91 | S | 96.8 | Very high | 95.7 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 46% | 0.455 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 36.8 | -173.7 | -75.5 | 0 | 0 | 0 | 0 | 114 | G87 V88 A89 | G87-S91 VanDerWaalsContact O-CA 3.29Å; G87-S91 WeakPolarHBondContact O-CA 3.32Å; G87-S91 PolarHBondContact O-N 3.42Å; V88-S91 PolarHBondContact O-N 3.46Å; V88-S91 PolarHBondContact O-OG 2.89Å; A89-S91 VanDerWaalsContact C-N 3.28Å; A89-S91 PolarHBondContact O-N 3.11Å |
| 92 | Q | 98.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.6 | -176.2 | -76.7 | 173.2 | 71.4 | 0 | 0 | 111.3 | I55 D57 K86 G87 A90 A104 S105 K106 | I55-Q92 HydrophobicContact CG2-CB 4.2Å; D57-Q92 PolarHBondContact O-NE2 3.18Å; K86-Q92 CarbonylContact C-O 3.59Å; K86-Q92 WeakPolarHBondContact CA-O 3.18Å; G87-Q92 PolarHBondContact N-O 2.98Å; G87-Q92 PolarHBondContact O-N 3.01Å; A90-Q92 HydrophobicContact CB-CB 4.42Å; A90-Q92 WeakPolarHBondContact O-CG 3.01Å; A90-Q92 PolarHBondContact O-N 3.37Å; A90-Q92 VanDerWaalsContact O-N 3.14Å; A90-Q92 PolarHBondContact O-NE2 3.08Å; Q92-A104 HydrophobicContact CB-CB 3.84Å; Q92-S105 CarbonylContact C-O 3.54Å; Q92-S105 WeakPolarHBondContact CA-O 3.41Å; Q92-K106 HydrophobicContact CG-CG 3.71Å |
| 93 | Y | 98.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 31 Ų | 31 | 22% | 0.22 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.9 | 174.2 | -64 | -82.6 | 0 | 0 | 0 | 110.6 | A84 I85 K86 C95 A104 S105 Y108 | A84-Y93 HydrophobicContact CB-CD1 4.39Å; I85-Y93 CarbonylContact O-C 3.54Å; I85-Y93 WeakPolarHBondContact O-CA 3.42Å; K86-Y93 HydrophobicContact CB-CD1 3.9Å; K86-Y93 HydrophobicContact CB-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE1 4.01Å; K86-Y93 HydrophobicContact CD-CE2 4.48Å; K86-Y93 HydrophobicContact CG-CD1 4.17Å; K86-Y93 HydrophobicContact CG-CE1 4.16Å; Y93-C95 PolarHBondContact O-N 3.38Å; Y93-A104 CarbonylContact O-C 3.57Å; Y93-A104 WeakPolarHBondContact O-CA 3.39Å; Y93-S105 PolarHBondContact N-O 3.43Å; Y93-S105 PolarHBondContact O-N 2.8Å; Y93-Y108 AromaticContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CE1-CD2 4.12Å; Y93-Y108 HydrophobicContact CG-CD2 4.2Å |
| 94 | L | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 124.9 | 164.4 | -179.3 | 63.2 | 0 | 0 | 0 | 108.5 | L53 I55 V61 I85 L102 C113 F115 V136 | L53-L94 HydrophobicContact CD1-CD2 3.84Å; I55-L94 HydrophobicContact CD1-CB 4.04Å; V61-L94 HydrophobicContact CB-CD1 4.32Å; V61-L94 HydrophobicContact CG1-CD1 3.78Å; V61-L94 HydrophobicContact CG2-CD1 3.73Å; I85-L94 HydrophobicContact CB-CB 4.09Å; I85-L94 HydrophobicContact CB-CD2 4.27Å; I85-L94 HydrophobicContact CD1-CD2 4.08Å; I85-L94 HydrophobicContact CG2-CB 4.25Å; I85-L94 HydrophobicContact CG2-CD2 4.24Å; I85-L94 PolarHBondContact O-N 2.74Å; L94-L102 HydrophobicContact CD1-CB 4.06Å; L94-L102 HydrophobicContact CD1-CD1 4.26Å; L94-L102 HydrophobicContact CD1-CD2 4.22Å; L94-L102 HydrophobicContact CD1-CG 4.4Å; L94-C113 WeakPolarHBondContact O-CA 3.45Å; L94-F115 HydrophobicContact CB-CE2 4.41Å; L94-F115 HydrophobicContact CD2-CE2 4.32Å; L94-F115 HydrophobicContact CG-CE2 4.16Å; L94-F115 HydrophobicContact CG-CZ 4.3Å; L94-F115 VanDerWaalsContact O-CE2 3.31Å; L94-F115 WeakPolarHBondContact O-CE2 3.43Å; L94-V136 HydrophobicContact CD2-CG1 4.07Å |
| 95 | C | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 166.7 | 178.6 | -50.8 | 0 | 0 | 0 | 0 | 110.2 | Y93 L102 Y103 D112 C113 | Y93-C95 PolarHBondContact O-N 3.38Å; C95-L102 WeakPolarHBondContact O-CA 3.39Å; C95-Y103 HydrophobicContact CB-CD1 4.1Å; C95-Y103 HydrophobicContact CB-CD2 4.15Å; C95-Y103 HydrophobicContact CB-CE1 3.6Å; C95-Y103 HydrophobicContact CB-CE2 3.65Å; C95-Y103 HydrophobicContact CB-CG 4.37Å; C95-Y103 PolarHBondContact N-O 2.85Å; C95-Y103 PolarHBondContact O-N 2.9Å; C95-Y103 VanDerWaalsContact O-O 3.1Å; C95-D112 CarbonylContact C-O 3.44Å; C95-D112 WeakPolarHBondContact CA-O 3.35Å; C95-D112 HydrophobicContact CB-CB 4.36Å; C95-C113 HydrophobicContact CB-CB 4.05Å; C95-C113 WeakPolarHBondContact CB-SG 3.35Å; C95-C113 WeakPolarHBondContact SG-CB 3.42Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.13Å |
| 96 | M | 96.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.2 | -174.2 | -176 | -179.4 | -72.6 | 0 | 0 | 111.3 | R101 L102 D112 F115 S129 H132 T134 V136 | M96-R101 WeakPolarHBondContact CA-O 3.36Å; M96-L102 HydrophobicContact CB-CD2 4.25Å; M96-L102 HydrophobicContact CE-CD2 3.66Å; M96-L102 HydrophobicContact CG-CD2 4.39Å; M96-D112 PolarHBondContact N-O 3.48Å; M96-F115 HydrophobicContact CB-CE1 3.96Å; M96-F115 HydrophobicContact CB-CZ 4.31Å; M96-F115 HydrophobicContact CE-CE1 4Å; M96-S129 VanDerWaalsContact SD-CB 3.54Å; M96-H132 PolarHBondContact O-CD2 3.21Å; M96-H132 PolarHBondContact O-NE2 2.88Å; M96-H132 HydrophobicContact SD-CB 4.23Å; M96-T134 PolarHBondContact SD-OG1 3.12Å; M96-V136 HydrophobicContact CE-CB 4.46Å; M96-V136 HydrophobicContact CE-CG2 3.94Å |
| 97 | E | 94.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | trans | -83 | 163.5 | 171.4 | -67 | -179.5 | 167.1 | 0 | 0 | 111.3 | N99 G100 R101 Y103 | E97-N99 WeakPolarHBondContact CB-OD1 3.22Å; E97-N99 PolarHBondContact O-N 2.81Å; E97-N99 PolarHBondContact OE2-ND2 2.79Å; E97-G100 WeakPolarHBondContact O-CA 3.44Å; E97-G100 PolarHBondContact O-N 2.84Å; E97-R101 HydrophobicContact CB-CB 4.5Å; E97-R101 PolarHBondContact N-O 2.95Å; E97-R101 IonicContact OE1-CZ 3.75Å; E97-R101 IonicContact OE1-NE 2.79Å; E97-R101 IonicContact OE1-NH2 3.46Å; E97-R101 PolarHBondContact OE1-NH2 2.8Å; E97-R101 IonicContact OE2-CZ 3.29Å; E97-R101 VanDerWaalsContact OE2-CZ 3.29Å; E97-R101 IonicContact OE2-NE 2.97Å; E97-R101 PolarHBondContact OE2-NE 2.79Å; E97-R101 IonicContact OE2-NH2 3.01Å; E97-R101 PolarHBondContact OE2-NH2 3.49Å; E97-Y103 HydrophobicContact CG-CD1 3.69Å; E97-Y103 HydrophobicContact CG-CE1 3.73Å | ||
| 98 | G | 91.2 | Very high | 95.7 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 61% | 0.608 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -16.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | G100 H132 | G98-G100 VanDerWaalsContact C-N 3.31Å; G98-H132 VanDerWaalsContact CA-ND1 3.33Å; G98-H132 WeakPolarHBondContact CA-ND1 3.39Å |
| 99 | N | 88.9 | Confident | 95.7 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 53% | 0.529 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 7 | 172.8 | 64.2 | 14.7 | 0 | 0 | 0 | 113.2 | E97 R101 | E97-N99 WeakPolarHBondContact CB-OD1 3.22Å; E97-N99 PolarHBondContact O-N 2.81Å; E97-N99 PolarHBondContact OE2-ND2 2.79Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 2.93Å; N99-R101 WeakPolarHBondContact OD1-CB 3.41Å; N99-R101 PolarHBondContact OD1-N 3.16Å |
| 100 | G | 90 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 77.4 | 5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E97 G98 R144 | E97-G100 WeakPolarHBondContact O-CA 3.44Å; E97-G100 PolarHBondContact O-N 2.84Å; G98-G100 VanDerWaalsContact C-N 3.31Å; G100-R144 VanDerWaalsContact O-CZ 3.31Å; G100-R144 PolarHBondContact O-NH1 2.96Å |
| 101 | R | 92.7 | Very high | 95.7 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | trans | -72.5 | 129.6 | 177.3 | -174 | 173.4 | 71.5 | 114 | -9.2 | 110 | M96 E97 N99 | M96-R101 WeakPolarHBondContact CA-O 3.36Å; E97-R101 HydrophobicContact CB-CB 4.5Å; E97-R101 PolarHBondContact N-O 2.95Å; E97-R101 IonicContact OE1-CZ 3.75Å; E97-R101 IonicContact OE1-NE 2.79Å; E97-R101 IonicContact OE1-NH2 3.46Å; E97-R101 PolarHBondContact OE1-NH2 2.8Å; E97-R101 IonicContact OE2-CZ 3.29Å; E97-R101 VanDerWaalsContact OE2-CZ 3.29Å; E97-R101 IonicContact OE2-NE 2.97Å; E97-R101 PolarHBondContact OE2-NE 2.79Å; E97-R101 IonicContact OE2-NH2 3.01Å; E97-R101 PolarHBondContact OE2-NH2 3.49Å; N99-R101 VanDerWaalsContact C-N 3.29Å; N99-R101 PolarHBondContact O-N 2.93Å; N99-R101 WeakPolarHBondContact OD1-CB 3.41Å; N99-R101 PolarHBondContact OD1-N 3.16Å | ||
| 102 | L | 95.9 | Very high | 95.7 | Very high | 16 Ų | 16 | 56 Ų | 56 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 139.9 | 174.6 | -57.7 | 176.5 | 0 | 0 | 0 | 110.2 | V61 L94 C95 M96 V136 S137 | V61-L102 HydrophobicContact CB-CB 3.98Å; V61-L102 HydrophobicContact CG1-CB 4.01Å; V61-L102 HydrophobicContact CG1-CD1 4.12Å; V61-L102 HydrophobicContact CG2-CB 4.34Å; L94-L102 HydrophobicContact CD1-CB 4.06Å; L94-L102 HydrophobicContact CD1-CD1 4.26Å; L94-L102 HydrophobicContact CD1-CD2 4.22Å; L94-L102 HydrophobicContact CD1-CG 4.4Å; C95-L102 WeakPolarHBondContact O-CA 3.39Å; M96-L102 HydrophobicContact CB-CD2 4.25Å; M96-L102 HydrophobicContact CE-CD2 3.66Å; M96-L102 HydrophobicContact CG-CD2 4.39Å; L102-V136 HydrophobicContact CD1-CG1 3.72Å; L102-V136 HydrophobicContact CD2-CG1 4.19Å; L102-V136 HydrophobicContact CD2-CG2 4.33Å; L102-S137 WeakPolarHBondContact CD1-O 3.44Å |
| 103 | Y | 96.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 20% | 0.204 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 167.3 | 170.8 | 68.3 | -80.2 | 0 | 0 | 0 | 109 | C95 E97 | C95-Y103 HydrophobicContact CB-CD1 4.1Å; C95-Y103 HydrophobicContact CB-CD2 4.15Å; C95-Y103 HydrophobicContact CB-CE1 3.6Å; C95-Y103 HydrophobicContact CB-CE2 3.65Å; C95-Y103 HydrophobicContact CB-CG 4.37Å; C95-Y103 PolarHBondContact N-O 2.85Å; C95-Y103 PolarHBondContact O-N 2.9Å; C95-Y103 VanDerWaalsContact O-O 3.1Å; E97-Y103 HydrophobicContact CG-CD1 3.69Å; E97-Y103 HydrophobicContact CG-CE1 3.73Å |
| 104 | A | 97.8 | Very high | 95.7 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 9% | 0.091 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I55 G59 V61 Q92 Y93 | I55-A104 HydrophobicContact CG2-CB 3.51Å; G59-A104 PolarHBondContact O-N 2.95Å; V61-A104 HydrophobicContact CG2-CB 4.16Å; Q92-A104 HydrophobicContact CB-CB 3.84Å; Y93-A104 CarbonylContact O-C 3.57Å; Y93-A104 WeakPolarHBondContact O-CA 3.39Å |
| 105 | S | 97.6 | Very high | 95.7 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.1 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | Q92 Y93 T107 | Q92-S105 CarbonylContact C-O 3.54Å; Q92-S105 WeakPolarHBondContact CA-O 3.41Å; Y93-S105 PolarHBondContact N-O 3.43Å; Y93-S105 PolarHBondContact O-N 2.8Å; S105-T107 VanDerWaalsContact C-N 3.28Å; S105-T107 PolarHBondContact OG-N 3.12Å; S105-T107 VanDerWaalsContact OG-N 3.16Å; S105-T107 PolarHBondContact OG-O 2.63Å |
| 106 | K | 96.9 | Very high | 95.7 | Very high | 162 Ų | 162 | 58.2 Ų | 58.2 | 70% | 0.704 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -69.4 | -30.2 | 171.8 | -67.1 | -175.5 | 178.4 | -177.2 | 0 | 112 | Q92 | Q92-K106 HydrophobicContact CG-CG 3.71Š|
| 107 | T | 96.9 | Very high | 95.7 | Very high | 89 Ų | 89 | 60.2 Ų | 60.2 | 55% | 0.546 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -95.5 | 125.1 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | S105 | S105-T107 VanDerWaalsContact C-N 3.28Å; S105-T107 PolarHBondContact OG-N 3.12Å; S105-T107 VanDerWaalsContact OG-N 3.16Å; S105-T107 PolarHBondContact OG-O 2.63Å |
| 108 | Y | 97.4 | Very high | 95.7 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | trans | -73.6 | 126.5 | 173.3 | 174.8 | -104.3 | 0 | 0 | 0 | 110.7 | A84 Y93 K110 C113 S114 | A84-Y108 HydrophobicContact CB-CD2 4.33Å; A84-Y108 HydrophobicContact CB-CE2 3.75Å; Y93-Y108 AromaticContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CD1-CD2 3.92Å; Y93-Y108 HydrophobicContact CE1-CD2 4.12Å; Y93-Y108 HydrophobicContact CG-CD2 4.2Å; Y108-K110 HydrophobicContact CE1-CB 4.21Å; Y108-C113 HydrophobicContact CD2-CB 3.83Å; Y108-C113 HydrophobicContact CE2-CB 3.98Å; Y108-S114 PolarHBondContact OH-OG 3.26Å | ||
| 109 | M | 96.7 | Very high | 95.9 | Very high | 97 Ų | 97 | 63.5 Ų | 63.5 | 48% | 0.478 | 31% | 0.307 | S | S | . | . | trans | -123.1 | 113.4 | 172.2 | -64.8 | -177.3 | 177.8 | 0 | 0 | 108 | D111 D112 C113 | M109-D111 PolarHBondContact O-N 2.79Å; M109-D111 VanDerWaalsContact O-N 3.14Å; M109-D112 PolarHBondContact O-N 3.34Å; M109-D112 VanDerWaalsContact O-N 3.08Å; M109-C113 WeakPolarHBondContact O-CB 3.45Å; M109-C113 PolarHBondContact O-N 3.47Å; M109-C113 PolarHBondContact O-SG 3.26Å; M109-C113 VanDerWaalsContact O-SG 3.37Å | ||
| 110 | K | 95.8 | Very high | 96.2 | Very high | 114 Ų | 114 | 60.1 Ų | 60.1 | 50% | 0.496 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -49.8 | -46.1 | -172.9 | -173.8 | 178.1 | -178 | 175.3 | 0 | 111.7 | D79 Y108 D112 S114 | D79-K110 IonicContact OD2-NZ 2.98Å; D79-K110 PolarHBondContact OD2-NZ 2.85Å; Y108-K110 HydrophobicContact CE1-CB 4.21Å; K110-D112 VanDerWaalsContact C-N 3.34Å; K110-D112 PolarHBondContact O-N 3.36Å; K110-S114 WeakPolarHBondContact CG-OG 3.37Å; K110-S114 WeakPolarHBondContact O-CB 3.49Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.93Å |
| 111 | D | 95.4 | Very high | 96.3 | Very high | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.3 | -38.8 | -178.5 | -81.5 | 16.8 | 0 | 0 | 0 | 115.2 | M109 K131 | M109-D111 PolarHBondContact O-N 2.79Å; M109-D111 VanDerWaalsContact O-N 3.14Å; D111-K131 HydrophobicContact CB-CD 3.6Å; D111-K131 WeakPolarHBondContact O-CB 3.28Å; D111-K131 WeakPolarHBondContact O-CD 3.37Å; D111-K131 IonicContact OD2-NZ 2.88Å |
| 112 | D | 97.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 65 Ų | 65 | 13% | 0.134 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -107.5 | -20.8 | -171.8 | -62.1 | -29.9 | 0 | 0 | 0 | 112.4 | C95 M96 M109 K110 K131 H132 | C95-D112 CarbonylContact C-O 3.44Å; C95-D112 WeakPolarHBondContact CA-O 3.35Å; C95-D112 HydrophobicContact CB-CB 4.36Å; M96-D112 PolarHBondContact N-O 3.48Å; M109-D112 PolarHBondContact O-N 3.34Å; M109-D112 VanDerWaalsContact O-N 3.08Å; K110-D112 VanDerWaalsContact C-N 3.34Å; K110-D112 PolarHBondContact O-N 3.36Å; D112-K131 IonicContact OD1-NZ 3.74Å; D112-K131 PolarHBondContact OD1-NZ 3.01Å; D112-K131 IonicContact OD2-NZ 3.71Å; D112-H132 IonicContact OD1-CE1 3.24Å; D112-H132 PolarHBondContact OD1-CE1 3.01Å; D112-H132 IonicContact OD1-NE2 2.9Å; D112-H132 PolarHBondContact OD1-NE2 3Å |
| 113 | C | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -115.9 | 6.4 | -171.3 | -42.9 | 0 | 0 | 0 | 0 | 113.8 | L94 C95 Y108 M109 | L94-C113 WeakPolarHBondContact O-CA 3.45Å; C95-C113 HydrophobicContact CB-CB 4.05Å; C95-C113 WeakPolarHBondContact CB-SG 3.35Å; C95-C113 WeakPolarHBondContact SG-CB 3.42Å; C95-C113 CovalentContact SG-SG 2.04Å; C95-C113 PolarHBondContact SG-SG 3.13Å; Y108-C113 HydrophobicContact CD2-CB 3.83Å; Y108-C113 HydrophobicContact CE2-CB 3.98Å; M109-C113 WeakPolarHBondContact O-CB 3.45Å; M109-C113 PolarHBondContact O-N 3.47Å; M109-C113 PolarHBondContact O-SG 3.26Å; M109-C113 VanDerWaalsContact O-SG 3.37Å |
| 114 | S | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 66.7 Ų | 66.7 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 136.9 | 171.7 | -47.6 | 0 | 0 | 0 | 0 | 110.8 | Y108 K110 | Y108-S114 PolarHBondContact OH-OG 3.26Å; K110-S114 WeakPolarHBondContact CG-OG 3.37Å; K110-S114 WeakPolarHBondContact O-CB 3.49Å; K110-S114 PolarHBondContact O-N 3.46Å; K110-S114 PolarHBondContact O-OG 2.93Å |
| 115 | F | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 0% | 0.004 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.7 | 179 | -50.4 | -79.1 | 0 | 0 | 0 | 110.9 | C82 V83 I85 L94 M96 E117 Y127 V128 V136 | C82-F115 CarbonylContact C-O 3.52Å; C82-F115 VanDerWaalsContact CA-O 3.29Å; C82-F115 WeakPolarHBondContact CA-O 3.26Å; V83-F115 PolarHBondContact N-O 3.01Å; V83-F115 PolarHBondContact O-N 3.44Å; I85-F115 HydrophobicContact CD1-CD2 4.22Å; L94-F115 HydrophobicContact CB-CE2 4.41Å; L94-F115 HydrophobicContact CD2-CE2 4.32Å; L94-F115 HydrophobicContact CG-CE2 4.16Å; L94-F115 HydrophobicContact CG-CZ 4.3Å; L94-F115 VanDerWaalsContact O-CE2 3.31Å; L94-F115 WeakPolarHBondContact O-CE2 3.43Å; M96-F115 HydrophobicContact CB-CE1 3.96Å; M96-F115 HydrophobicContact CB-CZ 4.31Å; M96-F115 HydrophobicContact CE-CE1 4Å; F115-E117 PolarHBondContact O-N 3.14Å; F115-Y127 HydrophobicContact CB-CD1 4.45Å; F115-V128 CarbonylContact C-O 3.49Å; F115-V128 VanDerWaalsContact CA-O 3.27Å; F115-V128 WeakPolarHBondContact CA-O 3.39Å; F115-V136 HydrophobicContact CD1-CG2 3.6Å; F115-V136 HydrophobicContact CD2-CG2 4.44Å; F115-V136 HydrophobicContact CE1-CG2 3.71Å; F115-V136 HydrophobicContact CG-CG2 3.99Å; F115-V136 HydrophobicContact CZ-CG2 4.19Å |
| 116 | K | 97.6 | Very high | 95.8 | Very high | 103 Ų | 103 | 66.4 Ų | 66.4 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120.2 | 168.9 | -164.1 | 178.6 | -177.1 | 168.5 | 0 | 109 | G81 N118 Y127 V128 | G81-K116 CarbonylContact O-C 3.59Å; G81-K116 WeakPolarHBondContact O-CA 3.43Å; K116-N118 WeakPolarHBondContact CG-OD1 3.29Å; K116-Y127 WeakPolarHBondContact O-CA 3.46Å; K116-V128 HydrophobicContact CB-CB 4.48Å; K116-V128 PolarHBondContact N-O 2.93Å; K116-V128 PolarHBondContact O-N 3.33Å |
| 117 | E | 97.2 | Very high | 95.8 | Very high | 42 Ų | 42 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 123.9 | 177.6 | -177.8 | 175.1 | -134.2 | 0 | 0 | 109.5 | R40 G81 V83 F115 N125 Y127 | R40-E117 IonicContact CZ-OE1 3.48Å; R40-E117 IonicContact CZ-OE2 2.8Å; R40-E117 IonicContact NH1-OE1 2.74Å; R40-E117 PolarHBondContact NH1-OE1 2.85Å; R40-E117 IonicContact NH1-OE2 3.5Å; R40-E117 PolarHBondContact NH1-OE2 2.85Å; R40-E117 IonicContact NH2-OE1 2.7Å; R40-E117 PolarHBondContact NH2-OE1 3.17Å; R40-E117 IonicContact NH2-OE2 3.63Å; R40-E117 PolarHBondContact NH2-OE2 2.91Å; G81-E117 PolarHBondContact O-N 2.76Å; V83-E117 HydrophobicContact CG1-CB 4.26Å; V83-E117 HydrophobicContact CG2-CB 4.21Å; F115-E117 PolarHBondContact O-N 3.14Å; E117-N125 PolarHBondContact OE1-ND2 3.28Å; E117-Y127 HydrophobicContact CB-CD1 3.98Å; E117-Y127 HydrophobicContact CB-CE1 3.79Å; E117-Y127 HydrophobicContact CG-CD1 4.1Å; E117-Y127 HydrophobicContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact OE1-CE1 3.31Å; E117-Y127 WeakPolarHBondContact OE1-CE1 3.48Å; E117-Y127 PolarHBondContact OE1-OH 2.8Å |
| 118 | N | 95.6 | Very high | 95.8 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 131.7 | 176.6 | -73.1 | 75.3 | 0 | 0 | 0 | 109.7 | K116 N125 I126 | K116-N118 WeakPolarHBondContact CG-OD1 3.29Å; N118-N125 CarbonylContact O-C 3.58Å; N118-N125 WeakPolarHBondContact O-CA 3.31Å; N118-I126 HydrophobicContact CB-CD1 4.12Å; N118-I126 HydrophobicContact CB-CG1 3.72Å; N118-I126 PolarHBondContact N-O 3.08Å; N118-I126 WeakPolarHBondContact O-CG1 3.4Å; N118-I126 PolarHBondContact O-N 3.17Å |
| 119 | I | 95.1 | Very high | 95.7 | Very high | 125 Ų | 125 | 52.6 Ų | 52.6 | 64% | 0.641 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.1 | 171.8 | -49.9 | 179.5 | 0 | 0 | 0 | 107.6 | ||
| 120 | L | 93.5 | Very high | 95.3 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -79.6 | 162.2 | 177.1 | -66.8 | -176.1 | 0 | 0 | 0 | 111.3 | D122 G123 Y124 I126 I152 Q157 | L120-D122 WeakPolarHBondContact CB-OD1 3.24Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-D122 VanDerWaalsContact O-N 3.11Å; L120-G123 PolarHBondContact O-N 2.77Å; L120-Y124 WeakPolarHBondContact CB-O 3.22Å; L120-Y124 PolarHBondContact N-O 3.48Å; L120-I126 HydrophobicContact CD1-CG2 3.66Å; L120-I126 HydrophobicContact CD2-CD1 3.97Å; L120-I126 HydrophobicContact CD2-CG1 4.26Å; L120-I126 HydrophobicContact CD2-CG2 4.38Å; L120-I126 HydrophobicContact CG-CG1 4.44Å; L120-I126 HydrophobicContact CG-CG2 3.97Å; L120-I152 HydrophobicContact CD1-CD1 3.81Å; L120-I152 HydrophobicContact CD2-CD1 3.67Å; L120-I152 HydrophobicContact CG-CD1 4.4Å; L120-Q157 HydrophobicContact CD1-CG 3.84Å; L120-Q157 VanDerWaalsContact CD1-NE2 3.28Å | ||
| 121 | P | 93.7 | Very high | 95.2 | Very high | 144 Ų | 144 | 54.5 Ų | 54.5 | 94% | 0.935 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.5 | 176.9 | -24.8 | 35 | 0 | 0 | 0 | 114.5 | G123 | P121-G123 VanDerWaalsContact C-N 3.27Š|
| 122 | D | 90.5 | Very high | 94.9 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 2 | 175.8 | 62.6 | 4.9 | 0 | 0 | 0 | 113.3 | L120 Y124 Q157 | L120-D122 WeakPolarHBondContact CB-OD1 3.24Å; L120-D122 PolarHBondContact O-N 2.88Å; L120-D122 VanDerWaalsContact O-N 3.11Å; D122-Y124 VanDerWaalsContact C-N 3.35Å; D122-Y124 HydrophobicContact CB-CD2 4.2Å; D122-Y124 PolarHBondContact OD1-N 2.8Å; D122-Q157 PolarHBondContact OD2-NE2 3.2Å |
| 123 | G | 92 | Very high | 94.5 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 84.6 | 1.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L120 P121 | L120-G123 PolarHBondContact O-N 2.77Å; P121-G123 VanDerWaalsContact C-N 3.27Å |
| 124 | Y | 94.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | trans | -87 | 149.2 | 175.5 | -69.9 | -95.7 | 0 | 0 | 0 | 111.6 | A47 L120 D122 Q157 L159 | A47-Y124 HydrophobicContact CB-CE1 3.57Å; A47-Y124 WeakPolarHBondContact CB-OH 3.44Å; L120-Y124 WeakPolarHBondContact CB-O 3.22Å; L120-Y124 PolarHBondContact N-O 3.48Å; D122-Y124 VanDerWaalsContact C-N 3.35Å; D122-Y124 HydrophobicContact CB-CD2 4.2Å; D122-Y124 PolarHBondContact OD1-N 2.8Å; Y124-Q157 HydrophobicContact CD1-CB 4.33Å; Y124-Q157 HydrophobicContact CG-CB 4.26Å; Y124-L159 HydrophobicContact CD1-CB 4.04Å; Y124-L159 HydrophobicContact CE1-CB 3.89Å | ||
| 125 | N | 95.8 | Very high | 94 | Very high | 12 Ų | 12 | 56.7 Ų | 56.7 | 6% | 0.064 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 141.3 | 174.4 | -65.9 | 11.9 | 0 | 0 | 0 | 110.2 | E117 N118 Y127 F158 | E117-N125 PolarHBondContact OE1-ND2 3.28Å; N118-N125 CarbonylContact O-C 3.58Å; N118-N125 WeakPolarHBondContact O-CA 3.31Å; N125-Y127 HydrophobicContact CB-CE2 4.04Å; N125-Y127 PolarHBondContact ND2-OH 2.9Å; N125-F158 PolarHBondContact N-O 3.17Å; N125-F158 PolarHBondContact O-N 3.14Å |
| 126 | I | 95.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.7 | 163.8 | 61.4 | 167.4 | 0 | 0 | 0 | 109.2 | N118 L120 V128 L135 I152 S156 Q157 | N118-I126 HydrophobicContact CB-CD1 4.12Å; N118-I126 HydrophobicContact CB-CG1 3.72Å; N118-I126 PolarHBondContact N-O 3.08Å; N118-I126 WeakPolarHBondContact O-CG1 3.4Å; N118-I126 PolarHBondContact O-N 3.17Å; L120-I126 HydrophobicContact CD1-CG2 3.66Å; L120-I126 HydrophobicContact CD2-CD1 3.97Å; L120-I126 HydrophobicContact CD2-CG1 4.26Å; L120-I126 HydrophobicContact CD2-CG2 4.38Å; L120-I126 HydrophobicContact CG-CG1 4.44Å; L120-I126 HydrophobicContact CG-CG2 3.97Å; I126-V128 HydrophobicContact CD1-CG2 4.26Å; I126-L135 HydrophobicContact CB-CD2 3.83Å; I126-L135 HydrophobicContact CD1-CD2 3.95Å; I126-L135 HydrophobicContact CG1-CD2 4.34Å; I126-L135 HydrophobicContact CG2-CD2 4.39Å; I126-I152 HydrophobicContact CD1-CD1 4.23Å; I126-I152 HydrophobicContact CG2-CG2 4.07Å; I126-S156 WeakPolarHBondContact CG2-O 3.35Å; I126-Q157 HydrophobicContact CG2-CG 4.2Å |
| 127 | Y | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.3 | 178.8 | -60.9 | -81.5 | 0 | 0 | 0 | 108.5 | L44 V83 I85 F115 K116 E117 N125 L135 V136 F158 | L44-Y127 HydrophobicContact CD1-CE2 4.11Å; L44-Y127 HydrophobicContact CD2-CE2 3.91Å; V83-Y127 HydrophobicContact CG2-CD1 3.82Å; V83-Y127 HydrophobicContact CG2-CE1 3.79Å; I85-Y127 HydrophobicContact CD1-CD1 3.96Å; I85-Y127 HydrophobicContact CD1-CD2 4.45Å; I85-Y127 HydrophobicContact CD1-CE1 4.15Å; I85-Y127 HydrophobicContact CD1-CG 4.13Å; F115-Y127 HydrophobicContact CB-CD1 4.45Å; K116-Y127 WeakPolarHBondContact O-CA 3.46Å; E117-Y127 HydrophobicContact CB-CD1 3.98Å; E117-Y127 HydrophobicContact CB-CE1 3.79Å; E117-Y127 HydrophobicContact CG-CD1 4.1Å; E117-Y127 HydrophobicContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact CG-CE1 3.49Å; E117-Y127 VanDerWaalsContact OE1-CE1 3.31Å; E117-Y127 WeakPolarHBondContact OE1-CE1 3.48Å; E117-Y127 PolarHBondContact OE1-OH 2.8Å; N125-Y127 HydrophobicContact CB-CE2 4.04Å; N125-Y127 PolarHBondContact ND2-OH 2.9Å; Y127-L135 CarbonylContact O-C 3.57Å; Y127-L135 WeakPolarHBondContact O-CA 3.44Å; Y127-V136 PolarHBondContact O-N 3.27Å; Y127-F158 HydrophobicContact CD2-CD2 4Å; Y127-F158 HydrophobicContact CE2-CB 4.26Å; Y127-F158 HydrophobicContact CE2-CD2 4.26Å |
| 128 | V | 95.8 | Very high | 93.4 | Very high | 38 Ų | 38 | 51.5 Ų | 51.5 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.9 | -174.9 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | F115 K116 I126 D130 L135 | F115-V128 CarbonylContact C-O 3.49Å; F115-V128 VanDerWaalsContact CA-O 3.27Å; F115-V128 WeakPolarHBondContact CA-O 3.39Å; K116-V128 HydrophobicContact CB-CB 4.48Å; K116-V128 PolarHBondContact N-O 2.93Å; K116-V128 PolarHBondContact O-N 3.33Å; I126-V128 HydrophobicContact CD1-CG2 4.26Å; V128-D130 PolarHBondContact O-N 2.75Å; V128-L135 HydrophobicContact CG2-CD2 3.54Å; V128-L135 HydrophobicContact CG2-CG 4.41Å |
| 129 | S | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.5 | 167.5 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | M96 H132 G133 T134 | M96-S129 VanDerWaalsContact SD-CB 3.54Å; S129-H132 PolarHBondContact OG-CD2 3.01Å; S129-H132 PolarHBondContact OG-N 3.49Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; S129-G133 WeakPolarHBondContact O-CA 3.43Å; S129-G133 PolarHBondContact O-N 2.72Å; S129-T134 PolarHBondContact N-O 3.05Å |
| 130 | D | 89.6 | Confident | 91.8 | Very high | 143 Ų | 143 | 44.7 Ų | 44.7 | 77% | 0.765 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -43.4 | 178 | -164.6 | 49.9 | 0 | 0 | 0 | 111.1 | V128 | V128-D130 PolarHBondContact O-N 2.75Š|
| 131 | K | 92.3 | Very high | 90.7 | Very high | 108 Ų | 108 | 46.6 Ų | 46.6 | 47% | 0.47 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -45.6 | 177.7 | 178.6 | 174.8 | 173 | -171.6 | 0 | 113.2 | D111 D112 | D111-K131 HydrophobicContact CB-CD 3.6Å; D111-K131 WeakPolarHBondContact O-CB 3.28Å; D111-K131 WeakPolarHBondContact O-CD 3.37Å; D111-K131 IonicContact OD2-NZ 2.88Å; D112-K131 IonicContact OD1-NZ 3.74Å; D112-K131 PolarHBondContact OD1-NZ 3.01Å; D112-K131 IonicContact OD2-NZ 3.71Å |
| 132 | H | 90.4 | Very high | 89.4 | Confident | 39 Ų | 39 | 49.8 Ų | 49.8 | 18% | 0.181 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -9.3 | -172.4 | -55.9 | -55.6 | 0 | 0 | 0 | 113.2 | M96 G98 D112 S129 T134 | M96-H132 PolarHBondContact O-CD2 3.21Å; M96-H132 PolarHBondContact O-NE2 2.88Å; M96-H132 HydrophobicContact SD-CB 4.23Å; G98-H132 VanDerWaalsContact CA-ND1 3.33Å; G98-H132 WeakPolarHBondContact CA-ND1 3.39Å; D112-H132 IonicContact OD1-CE1 3.24Å; D112-H132 PolarHBondContact OD1-CE1 3.01Å; D112-H132 IonicContact OD1-NE2 2.9Å; D112-H132 PolarHBondContact OD1-NE2 3Å; S129-H132 PolarHBondContact OG-CD2 3.01Å; S129-H132 PolarHBondContact OG-N 3.49Å; S129-H132 VanDerWaalsContact OG-N 3.17Å; H132-T134 PolarHBondContact O-N 3.27Å; H132-T134 VanDerWaalsContact O-N 3.1Å |
| 133 | G | 88.8 | Confident | 88.4 | Confident | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | trans | 59.8 | 20.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S129 | S129-G133 WeakPolarHBondContact O-CA 3.43Å; S129-G133 PolarHBondContact O-N 2.72Å | ||
| 134 | T | 90.4 | Very high | 87.2 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | trans | -122 | 151.1 | -173.7 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | M96 S129 H132 | M96-T134 PolarHBondContact SD-OG1 3.12Å; S129-T134 PolarHBondContact N-O 3.05Å; H132-T134 PolarHBondContact O-N 3.27Å; H132-T134 VanDerWaalsContact O-N 3.1Å | ||
| 135 | L | 93.4 | Very high | 85.7 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 142.2 | -179.4 | -70.7 | 157.8 | 0 | 0 | 0 | 111 | I126 Y127 V128 S137 I152 | I126-L135 HydrophobicContact CB-CD2 3.83Å; I126-L135 HydrophobicContact CD1-CD2 3.95Å; I126-L135 HydrophobicContact CG1-CD2 4.34Å; I126-L135 HydrophobicContact CG2-CD2 4.39Å; Y127-L135 CarbonylContact O-C 3.57Å; Y127-L135 WeakPolarHBondContact O-CA 3.44Å; V128-L135 HydrophobicContact CG2-CD2 3.54Å; V128-L135 HydrophobicContact CG2-CG 4.41Å; L135-S137 PolarHBondContact O-N 3.06Å; L135-I152 HydrophobicContact CD1-CG2 4.04Å |
| 136 | V | 95.3 | Very high | 84 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -56.3 | 126.7 | 160.8 | 176.8 | 0 | 0 | 0 | 0 | 107.6 | L53 L94 M96 L102 F115 Y127 S156 F158 | L53-V136 HydrophobicContact CD1-CG1 4.22Å; L94-V136 HydrophobicContact CD2-CG1 4.07Å; M96-V136 HydrophobicContact CE-CB 4.46Å; M96-V136 HydrophobicContact CE-CG2 3.94Å; L102-V136 HydrophobicContact CD1-CG1 3.72Å; L102-V136 HydrophobicContact CD2-CG1 4.19Å; L102-V136 HydrophobicContact CD2-CG2 4.33Å; F115-V136 HydrophobicContact CD1-CG2 3.6Å; F115-V136 HydrophobicContact CD2-CG2 4.44Å; F115-V136 HydrophobicContact CE1-CG2 3.71Å; F115-V136 HydrophobicContact CG-CG2 3.99Å; F115-V136 HydrophobicContact CZ-CG2 4.19Å; Y127-V136 PolarHBondContact O-N 3.27Å; V136-S156 VanDerWaalsContact O-CA 3.25Å; V136-S156 WeakPolarHBondContact O-CA 3.42Å; V136-S156 WeakPolarHBondContact O-CB 3.31Å; V136-S156 PolarHBondContact O-OG 2.94Å; V136-F158 HydrophobicContact CB-CE2 4.36Å; V136-F158 HydrophobicContact CG1-CE2 3.95Å; V136-F158 HydrophobicContact CG1-CZ 4.11Å | ||
| 137 | S | 93.4 | Very high | 82.2 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | trans | -148.5 | 132.3 | -177.2 | -159.2 | 0 | 0 | 0 | 0 | 110.2 | L102 L135 G139 L155 S156 | L102-S137 WeakPolarHBondContact CD1-O 3.44Å; L135-S137 PolarHBondContact O-N 3.06Å; S137-G139 PolarHBondContact O-N 3.45Å; S137-G139 PolarHBondContact OG-N 3.41Å; S137-L155 WeakPolarHBondContact CA-O 3.33Å; S137-S156 WeakPolarHBondContact CB-OG 3.17Å; S137-S156 PolarHBondContact OG-OG 2.91Å | ||
| 138 | L | 91.6 | Very high | 80.2 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -76 | -4.5 | 171.1 | -63.9 | 178.9 | 0 | 0 | 0 | 112.6 | A46 L51 L53 L155 F158 | A46-L138 HydrophobicContact CB-CD1 4.26Å; L51-L138 HydrophobicContact CB-CD1 4.09Å; L53-L138 HydrophobicContact CB-CD2 4.19Å; L53-L138 HydrophobicContact CD1-CD2 4.1Å; L53-L138 HydrophobicContact CG-CD2 4.02Å; L138-L155 HydrophobicContact CB-CD2 4.28Å; L138-L155 PolarHBondContact N-O 3.47Å; L138-F158 HydrophobicContact CD1-CE1 3.99Å; L138-F158 HydrophobicContact CG-CE1 4.03Å; L138-F158 HydrophobicContact CG-CZ 4.14Å |
| 139 | G | 82.9 | Confident | 78.5 | Confident | 5 Ų | 5 | 77.2 Ų | 77.2 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -73.9 | 146.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | S137 Q143 R144 | S137-G139 PolarHBondContact O-N 3.45Å; S137-G139 PolarHBondContact OG-N 3.41Å; G139-Q143 VanDerWaalsContact CA-OE1 3.25Å; G139-R144 PolarHBondContact O-NH1 2.9Å |
| 140 | G | 75.1 | Confident | 76.9 | Confident | 41 Ų | 41 | 88.2 Ų | 88.2 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | trans | -70.1 | 168.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R142 Q143 R144 | G140-R142 PolarHBondContact O-N 3.42Å; G140-R142 VanDerWaalsContact O-N 3.13Å; G140-Q143 PolarHBondContact O-N 3.37Å; G140-R144 PolarHBondContact O-N 3.41Å | ||
| 141 | S | 69.6 | Low | 76.1 | Confident | 68 Ų | 68 | 84 Ų | 84 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54 | -37.6 | -178.8 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | R144 L145 | S141-R144 PolarHBondContact O-N 3.21Å; S141-R144 PolarHBondContact OG-NH2 3.18Å; S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.18Å; S141-L145 PolarHBondContact O-N 3.3Å; S141-L145 VanDerWaalsContact O-N 3.09Å |
| 142 | R | 66.1 | Low | 75.1 | Confident | 211 Ų | 211 | 82 Ų | 82 | 80% | 0.796 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 177.1 | -68.6 | -175.1 | 179 | -176.5 | -0.3 | 113 | G140 L145 Q146 | G140-R142 PolarHBondContact O-N 3.42Å; G140-R142 VanDerWaalsContact O-N 3.13Å; R142-L145 PolarHBondContact O-N 3.28Å; R142-Q146 PolarHBondContact O-N 2.72Å; R142-Q146 VanDerWaalsContact O-N 3.11Å |
| 143 | Q | 69.4 | Low | 74.4 | Confident | 105 Ų | 105 | 81.8 Ų | 81.8 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 178.1 | -73.5 | 171.4 | -32.5 | 0 | 0 | 111.3 | G139 G140 L145 Q146 G147 | G139-Q143 VanDerWaalsContact CA-OE1 3.25Å; G140-Q143 PolarHBondContact O-N 3.37Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.37Å; Q143-Q146 PolarHBondContact O-N 3.2Å; Q143-G147 PolarHBondContact O-N 2.94Å; Q143-G147 VanDerWaalsContact O-N 3.08Å |
| 144 | R | 67.3 | Low | 73.6 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 19% | 0.185 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 173.1 | -73.7 | -164.8 | -72.7 | -109 | -2.7 | 112.4 | G100 G139 G140 S141 | G100-R144 VanDerWaalsContact O-CZ 3.31Å; G100-R144 PolarHBondContact O-NH1 2.96Å; G139-R144 PolarHBondContact O-NH1 2.9Å; G140-R144 PolarHBondContact O-N 3.41Å; S141-R144 PolarHBondContact O-N 3.21Å; S141-R144 PolarHBondContact OG-NH2 3.18Å |
| 145 | L | 63.7 | Low | 73.1 | Confident | 126 Ų | 126 | 78.8 Ų | 78.8 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.7 | -41 | 177.5 | -67.4 | 170.3 | 0 | 0 | 0 | 112.3 | S141 R142 Q143 G147 | S141-L145 VanDerWaalsContact O-CG 3.31Å; S141-L145 WeakPolarHBondContact O-CG 3.18Å; S141-L145 PolarHBondContact O-N 3.3Å; S141-L145 VanDerWaalsContact O-N 3.09Å; R142-L145 PolarHBondContact O-N 3.28Å; Q143-L145 VanDerWaalsContact C-N 3.34Å; Q143-L145 PolarHBondContact O-N 3.37Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.96Å |
| 146 | Q | 60.2 | Low | 73 | Confident | 155 Ų | 155 | 77.1 Ų | 77.1 | 72% | 0.724 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -71.2 | -24.8 | 178.9 | -76.6 | 175.7 | 22.7 | 0 | 0 | 113.6 | R142 Q143 | R142-Q146 PolarHBondContact O-N 2.72Å; R142-Q146 VanDerWaalsContact O-N 3.11Å; Q143-Q146 PolarHBondContact O-N 3.2Å |
| 147 | G | 56.7 | Low | 72.9 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 14% | 0.144 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -10.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | Q143 L145 D149 R150 | Q143-G147 PolarHBondContact O-N 2.94Å; Q143-G147 VanDerWaalsContact O-N 3.08Å; L145-G147 VanDerWaalsContact C-N 3.32Å; L145-G147 PolarHBondContact O-N 2.96Å; G147-D149 VanDerWaalsContact C-N 3.26Å; G147-D149 PolarHBondContact O-N 3.22Å; G147-R150 PolarHBondContact O-N 3.36Å; G147-R150 VanDerWaalsContact O-N 3.12Å |
| 148 | R | 57.4 | Low | 73.1 | Confident | 213 Ų | 213 | 77.6 Ų | 77.6 | 80% | 0.804 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.5 | -169.5 | -163.2 | 171.3 | 179.3 | 167.6 | -0.4 | 113.8 | ||
| 149 | D | 58.5 | Low | 73.3 | Confident | 164 Ų | 164 | 79.4 Ų | 79.4 | 88% | 0.877 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -7.2 | 178.8 | -90.9 | -10.5 | 0 | 0 | 0 | 114.4 | G147 | G147-D149 VanDerWaalsContact C-N 3.26Å; G147-D149 PolarHBondContact O-N 3.22Å |
| 150 | R | 62 | Low | 73.9 | Confident | 230 Ų | 230 | 80.9 Ų | 80.9 | 87% | 0.868 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -109.4 | 17.6 | -171.6 | -68.2 | -171.6 | 177.4 | -178.7 | 0 | 114.4 | G147 | G147-R150 PolarHBondContact O-N 3.36Å; G147-R150 VanDerWaalsContact O-N 3.12Å |
| 151 | G | 73.8 | Confident | 74.9 | Confident | 55 Ų | 55 | 83.4 Ų | 83.4 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 80.4 | -147.3 | -176 | 0 | 0 | 0 | 0 | 0 | 112.7 | P153 | G151-P153 WeakPolarHBondContact O-CD 3.44Š|
| 152 | I | 72 | Confident | 76 | Confident | 67 Ų | 67 | 83.8 Ų | 83.8 | 34% | 0.344 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -68.5 | 123.4 | -176 | -61 | 174.7 | 0 | 0 | 0 | 109.9 | L120 I126 L135 A154 Q157 | L120-I152 HydrophobicContact CD1-CD1 3.81Å; L120-I152 HydrophobicContact CD2-CD1 3.67Å; L120-I152 HydrophobicContact CG-CD1 4.4Å; I126-I152 HydrophobicContact CD1-CD1 4.23Å; I126-I152 HydrophobicContact CG2-CG2 4.07Å; L135-I152 HydrophobicContact CD1-CG2 4.04Å; I152-A154 PolarHBondContact O-N 2.84Å; I152-Q157 HydrophobicContact CG2-CG 3.98Å |
| 153 | P | 75.6 | Confident | 77.2 | Confident | 33 Ų | 33 | 75.7 Ų | 75.7 | 21% | 0.214 | 38% | 0.381 | C | S | . | . | trans | -59.6 | 137.3 | 177.1 | -24.2 | 34.4 | 0 | 0 | 0 | 112 | G151 L155 S156 | G151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-L155 PolarHBondContact O-N 3.48Å; P153-L155 VanDerWaalsContact O-N 3.11Å; P153-S156 WeakPolarHBondContact O-CB 3.44Å; P153-S156 PolarHBondContact O-N 3.39Å | ||
| 154 | A | 72.1 | Confident | 78.3 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 28% | 0.281 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -62.5 | -20.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K48 H49 I152 S156 | K48-A154 HydrophobicContact CB-CB 4.07Å; K48-A154 HydrophobicContact CD-CB 3.35Å; K48-A154 HydrophobicContact CG-CB 4.32Å; H49-A154 VanDerWaalsContact CE1-CB 3.49Å; H49-A154 WeakPolarHBondContact CE1-CB 3.49Å; I152-A154 PolarHBondContact O-N 2.84Å; A154-S156 VanDerWaalsContact C-N 3.28Å |
| 155 | L | 79.7 | Confident | 79.3 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -83.8 | 1.2 | 173.4 | -74.6 | 166.8 | 0 | 0 | 0 | 113.9 | H49 S137 L138 P153 | H49-L155 HydrophobicContact CB-CD2 3.65Å; H49-L155 VanDerWaalsContact CD2-CD2 3.43Å; H49-L155 WeakPolarHBondContact CD2-CD2 3.44Å; H49-L155 WeakPolarHBondContact CE1-CG 3.27Å; H49-L155 VanDerWaalsContact ND1-CD2 3.26Å; H49-L155 WeakPolarHBondContact ND1-CD2 3.37Å; H49-L155 WeakPolarHBondContact NE2-CG 3.29Å; S137-L155 WeakPolarHBondContact CA-O 3.33Å; L138-L155 HydrophobicContact CB-CD2 4.28Å; L138-L155 PolarHBondContact N-O 3.47Å; P153-L155 PolarHBondContact O-N 3.48Å; P153-L155 VanDerWaalsContact O-N 3.11Å |
| 156 | S | 90.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -109.9 | -3.4 | -178.9 | -68.4 | 0 | 0 | 0 | 0 | 113.8 | I126 V136 S137 P153 A154 F158 | I126-S156 WeakPolarHBondContact CG2-O 3.35Å; V136-S156 VanDerWaalsContact O-CA 3.25Å; V136-S156 WeakPolarHBondContact O-CA 3.42Å; V136-S156 WeakPolarHBondContact O-CB 3.31Å; V136-S156 PolarHBondContact O-OG 2.94Å; S137-S156 WeakPolarHBondContact CB-OG 3.17Å; S137-S156 PolarHBondContact OG-OG 2.91Å; P153-S156 WeakPolarHBondContact O-CB 3.44Å; P153-S156 PolarHBondContact O-N 3.39Å; A154-S156 VanDerWaalsContact C-N 3.28Å; S156-F158 WeakPolarHBondContact O-CD2 3.47Å |
| 157 | Q | 94.1 | Very high | 80.1 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | trans | -97.2 | 120.7 | 174.3 | -67.3 | -178.1 | -24.7 | 0 | 0 | 109.2 | A46 L120 D122 Y124 I126 I152 | A46-Q157 WeakPolarHBondContact CA-O 3.35Å; L120-Q157 HydrophobicContact CD1-CG 3.84Å; L120-Q157 VanDerWaalsContact CD1-NE2 3.28Å; D122-Q157 PolarHBondContact OD2-NE2 3.2Å; Y124-Q157 HydrophobicContact CD1-CB 4.33Å; Y124-Q157 HydrophobicContact CG-CB 4.26Å; I126-Q157 HydrophobicContact CG2-CG 4.2Å; I152-Q157 HydrophobicContact CG2-CG 3.98Å | ||
| 158 | F | 96.6 | Very high | 80.1 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -119.9 | 137.4 | -176.1 | -63 | -85.4 | 0 | 0 | 0 | 111.2 | L44 Y45 A46 L53 N125 Y127 V136 L138 S156 | L44-F158 HydrophobicContact CB-CB 4.27Å; L44-F158 HydrophobicContact CB-CD1 3.85Å; L44-F158 HydrophobicContact CB-CG 4.25Å; L44-F158 HydrophobicContact CD2-CB 4.29Å; Y45-F158 CarbonylContact O-C 3.48Å; Y45-F158 WeakPolarHBondContact O-CA 3.47Å; A46-F158 HydrophobicContact CB-CD1 4.16Å; A46-F158 HydrophobicContact CB-CE1 4.06Å; L53-F158 HydrophobicContact CB-CE1 4.44Å; L53-F158 HydrophobicContact CD1-CE1 4.48Å; L53-F158 HydrophobicContact CD1-CZ 4.5Å; N125-F158 PolarHBondContact N-O 3.17Å; N125-F158 PolarHBondContact O-N 3.14Å; Y127-F158 HydrophobicContact CD2-CD2 4Å; Y127-F158 HydrophobicContact CE2-CB 4.26Å; Y127-F158 HydrophobicContact CE2-CD2 4.26Å; V136-F158 HydrophobicContact CB-CE2 4.36Å; V136-F158 HydrophobicContact CG1-CE2 3.95Å; V136-F158 HydrophobicContact CG1-CZ 4.11Å; L138-F158 HydrophobicContact CD1-CE1 3.99Å; L138-F158 HydrophobicContact CG-CE1 4.03Å; L138-F158 HydrophobicContact CG-CZ 4.14Å; S156-F158 WeakPolarHBondContact O-CD2 3.47Å |
| 159 | L | 96.2 | Very high | 79.9 | Confident | 69 Ų | 69 | 70.9 Ų | 70.9 | 36% | 0.361 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.6 | 167.8 | -177.3 | 63.9 | 0 | 0 | 0 | 108.5 | Y45 Y124 R161 | Y45-L159 WeakPolarHBondContact CB-O 3.37Å; Y45-L159 PolarHBondContact N-O 3.15Å; Y45-L159 PolarHBondContact O-N 3.24Å; Y124-L159 HydrophobicContact CD1-CB 4.04Å; Y124-L159 HydrophobicContact CE1-CB 3.89Å; L159-R161 HydrophobicContact CD2-CG 4.5Å; L159-R161 HydrophobicContact CG-CG 4.42Å; L159-R161 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact O-N 3.17Å |
| 160 | P | 95.9 | Very high | 79.5 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 108.6 | 175.3 | -17.6 | 31.5 | 0 | 0 | 0 | 110.7 | R42 L44 | R42-P160 HydrophobicContact CB-CB 4.14Å; R42-P160 HydrophobicContact CG-CB 4Å; L44-P160 HydrophobicContact CD2-CB 4.36Å; L44-P160 HydrophobicContact CD2-CG 4.25Å |
| 161 | R | 95.3 | Very high | 79 | Confident | 95 Ų | 95 | 57.9 Ų | 57.9 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 144.9 | 179.2 | -63.7 | -179.9 | 69 | -171.4 | 3.8 | 111.1 | R42 H43 H52 L159 | R42-R161 CarbonylContact C-O 3.55Å; R42-R161 VanDerWaalsContact CA-O 3.29Å; R42-R161 WeakPolarHBondContact CA-O 3.45Å; R42-R161 WeakPolarHBondContact CD-O 3.48Å; H43-R161 HydrophobicContact CB-CB 4.48Å; H43-R161 PolarHBondContact N-O 3.02Å; H43-R161 PolarHBondContact O-N 3.32Å; H52-R161 PolarHBondContact NE2-NH1 3.41Å; H52-R161 VanDerWaalsContact NE2-NH1 3.17Å; L159-R161 HydrophobicContact CD2-CG 4.5Å; L159-R161 HydrophobicContact CG-CG 4.42Å; L159-R161 PolarHBondContact O-N 2.87Å; L159-R161 VanDerWaalsContact O-N 3.17Å |
| 162 | V | 93 | Very high | 77.8 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 152.8 | 167.8 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | Q67 | Q67-V162 PolarHBondContact NE2-O 2.96Å; Q67-V162 VanDerWaalsContact NE2-O 3.14Å |
| 163 | S | 91.9 | Very high | 77.1 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 29% | 0.287 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 136 | 174.9 | -160.7 | 0 | 0 | 0 | 0 | 110.2 | H43 L165 | H43-S163 WeakPolarHBondContact NE2-CA 3.18Å; H43-S163 VanDerWaalsContact NE2-CB 3.33Å; H43-S163 WeakPolarHBondContact NE2-CB 3.47Å; H43-S163 PolarHBondContact NE2-OG 3.05Å; S163-L165 PolarHBondContact OG-N 3.19Å |
| 164 | T | 92.1 | Very high | 75.8 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 66% | 0.656 | 37% | 0.374 | S | S | * | . | trans | -107.8 | 10.2 | 170.3 | 61.8 | 0 | 0 | 0 | 0 | 111.5 | Q67 | Q67-T164 PolarHBondContact OE1-OG1 3.08Š| ||
| 165 | L | 89.1 | Confident | 74.8 | Confident | 40 Ų | 40 | 68.4 Ų | 68.4 | 21% | 0.209 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -76.3 | 148.6 | 177.2 | -59.6 | 177 | 0 | 0 | 0 | 110.1 | Q67 S68 S163 I169 | Q67-L165 HydrophobicContact CB-CD2 4.32Å; Q67-L165 HydrophobicContact CB-CG 4.44Å; S68-L165 VanDerWaalsContact C-CD1 3.46Å; S163-L165 PolarHBondContact OG-N 3.19Å; L165-I169 HydrophobicContact CB-CD1 4.5Å |
| 166 | P | 81.3 | Confident | 72.5 | Confident | 88 Ų | 88 | 72.3 Ų | 72.3 | 57% | 0.571 | 42% | 0.416 | S | S | * | . | trans | -54.2 | 141.4 | 177.6 | -25 | 33.9 | 0 | 0 | 0 | 112.7 | D168 I169 | P166-D168 PolarHBondContact O-N 3.04Å; P166-D168 VanDerWaalsContact O-N 3.08Å; P166-I169 PolarHBondContact O-N 3.23Å | ||
| 167 | L | 58.9 | Low | 70.1 | Confident | 132 Ų | 132 | 76.8 Ų | 76.8 | 69% | 0.691 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25.4 | -169.9 | -116.3 | 80.6 | 0 | 0 | 0 | 114.3 | I169 T170 T171 | L167-I169 PolarHBondContact O-N 3.2Å; L167-I169 VanDerWaalsContact O-N 3.13Å; L167-T170 WeakPolarHBondContact O-CB 3.26Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.99Å; L167-T171 PolarHBondContact O-N 3.37Å; L167-T171 PolarHBondContact O-OG1 3.45Å |
| 168 | D | 56.2 | Low | 67.1 | Low | 131 Ų | 131 | 83.5 Ų | 83.5 | 70% | 0.701 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.7 | -28.5 | -175.8 | -57.5 | -29.5 | 0 | 0 | 0 | 113.5 | P166 T170 T171 | P166-D168 PolarHBondContact O-N 3.04Å; P166-D168 VanDerWaalsContact O-N 3.08Å; D168-T170 VanDerWaalsContact C-N 3.33Å; D168-T171 WeakPolarHBondContact CA-OG1 3.41Å; D168-T171 PolarHBondContact O-OG1 3.08Å |
| 169 | I | 53.3 | Low | 64.2 | Low | 63 Ų | 63 | 88.9 Ų | 88.9 | 32% | 0.323 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72 | -31.1 | 176.1 | -59.6 | 174.9 | 0 | 0 | 0 | 110.4 | L165 P166 L167 F173 | L165-I169 HydrophobicContact CB-CD1 4.5Å; P166-I169 PolarHBondContact O-N 3.23Å; L167-I169 PolarHBondContact O-N 3.2Å; L167-I169 VanDerWaalsContact O-N 3.13Å; I169-F173 HydrophobicContact CG2-CD2 4.39Å; I169-F173 HydrophobicContact CG2-CE2 3.79Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 VanDerWaalsContact O-CE2 3.3Å; I169-F173 WeakPolarHBondContact O-CE2 2.94Å |
| 170 | T | 51.1 | Low | 61 | Low | 37 Ų | 37 | 94.4 Ų | 94.4 | 23% | 0.227 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -80.8 | -29.9 | -174 | -36.4 | 0 | 0 | 0 | 0 | 112 | L41 L167 D168 | L41-T170 HydrophobicContact CD1-CG2 4.2Å; L167-T170 WeakPolarHBondContact O-CB 3.26Å; L167-T170 PolarHBondContact O-N 3.47Å; L167-T170 PolarHBondContact O-OG1 2.99Å; D168-T170 VanDerWaalsContact C-N 3.33Å |
| 171 | T | 51.3 | Low | 57.8 | Low | 84 Ų | 84 | 102 Ų | 102 | 52% | 0.515 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.4 | -29.1 | 178.2 | 35.2 | 0 | 0 | 0 | 0 | 113.5 | L167 D168 F173 | L167-T171 PolarHBondContact O-N 3.37Å; L167-T171 PolarHBondContact O-OG1 3.45Å; D168-T171 WeakPolarHBondContact CA-OG1 3.41Å; D168-T171 PolarHBondContact O-OG1 3.08Å; T171-F173 VanDerWaalsContact C-N 3.3Å; T171-F173 PolarHBondContact O-N 3.46Å |
| 172 | D | 48.8 | Very low | 54.7 | Low | 140 Ų | 140 | 100.4 Ų | 100.4 | 75% | 0.749 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -19.2 | 178.7 | -157.8 | 38.7 | 0 | 0 | 0 | 112.9 | ||
| 173 | F | 57.5 | Low | 51.9 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 42% | 0.417 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | 18 | 179 | -63.7 | -68 | 0 | 0 | 0 | 114.4 | V88 A89 I169 T171 | V88-F173 HydrophobicContact CG1-CB 3.87Å; V88-F173 HydrophobicContact CG1-CD1 3.81Å; V88-F173 HydrophobicContact CG1-CD2 3.54Å; V88-F173 HydrophobicContact CG1-CE1 4.26Å; V88-F173 HydrophobicContact CG1-CE2 4.06Å; V88-F173 HydrophobicContact CG1-CG 3.45Å; V88-F173 VanDerWaalsContact CG1-CG 3.45Å; V88-F173 HydrophobicContact CG1-CZ 4.4Å; A89-F173 HydrophobicContact CB-CZ 4.42Å; I169-F173 HydrophobicContact CG2-CD2 4.39Å; I169-F173 HydrophobicContact CG2-CE2 3.79Å; I169-F173 WeakPolarHBondContact O-CD2 3.3Å; I169-F173 VanDerWaalsContact O-CE2 3.3Å; I169-F173 WeakPolarHBondContact O-CE2 2.94Å; T171-F173 VanDerWaalsContact C-N 3.3Å; T171-F173 PolarHBondContact O-N 3.46Å |
| 174 | G | 47.4 | Very low | 49.1 | Very low | 65 Ų | 65 | 110.5 Ų | 110.5 | 67% | 0.67 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.6 | 29.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 175 | L | 50.7 | Low | 46.2 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 58% | 0.576 | 64% | 0.639 | S | S | * | * | trans | -95.9 | 91.2 | 167.5 | -143.5 | 80 | 0 | 0 | 0 | 109.6 | L41 S177 | L41-L175 HydrophobicContact CD1-CD2 4.33Å; L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.85Å | ||
| 176 | S | 32.3 | Very low | 43.5 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | trans | -66.6 | 93.6 | 166.6 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | H178 | S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.38Å | ||
| 177 | S | 39 | Very low | 41.3 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 66% | 0.664 | 68% | 0.681 | S | S | * | * | trans | -73 | 100.1 | 146.1 | 49.5 | 0 | 0 | 0 | 0 | 105.4 | L175 P179 | L175-S177 VanDerWaalsContact C-N 3.34Å; L175-S177 PolarHBondContact O-N 2.85Å; S177-P179 WeakPolarHBondContact O-CD 3.4Å | ||
| 178 | H | 31.6 | Very low | 40.5 | Very low | 155 Ų | 155 | 118 Ų | 118 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | -58.1 | 120.1 | 167.3 | -88.6 | -71.1 | 0 | 0 | 0 | 107.8 | S176 E180 | S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 PolarHBondContact O-N 3.38Å; H178-E180 PolarHBondContact O-N 3.13Å | ||
| 179 | P | 34.7 | Very low | 39.9 | Very low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | trans | -75.6 | 100.6 | 149.5 | 18.1 | -1.3 | 0 | 0 | 0 | 104.7 | S177 Q181 | S177-P179 WeakPolarHBondContact O-CD 3.4Å; P179-Q181 PolarHBondContact O-N 3.4Å | ||
| 180 | E | 28.9 | Very low | 39.3 | Very low | 185 Ų | 185 | 123.7 Ų | 123.7 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -57.9 | 117.8 | 169.2 | -79.4 | -156.8 | 111.1 | 0 | 0 | 108.4 | H178 G182 | H178-E180 PolarHBondContact O-N 3.13Å; E180-G182 PolarHBondContact O-N 2.6Å; E180-G182 VanDerWaalsContact O-N 3.12Å | ||
| 181 | Q | 30 | Very low | 38.7 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 91% | 0.911 | 74% | 0.743 | S | S | * | * | trans | -61 | 109.4 | 172.6 | -70.4 | 169.9 | -53.5 | 0 | 0 | 108.1 | P179 | P179-Q181 PolarHBondContact O-N 3.4Š| ||
| 182 | G | 30.3 | Very low | 38.3 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 146.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E180 | E180-G182 PolarHBondContact O-N 2.6Å; E180-G182 VanDerWaalsContact O-N 3.12Å |
| 183 | P | 32.7 | Very low | 38.5 | Very low | 127 Ų | 127 | 133 Ų | 133 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 139.3 | -176.2 | -18 | 29.7 | 0 | 0 | 0 | 112.1 | S185 | P183-S185 PolarHBondContact O-N 3.02Š|
| 184 | Q | 33.2 | Very low | 37.8 | Very low | 201 Ų | 201 | 132.3 Ų | 132.3 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 117.2 | 168.5 | -68.7 | -178.8 | -34.9 | 0 | 0 | 110.4 | ||
| 185 | S | 33 | Very low | 37.7 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -133 | 100.9 | 152.5 | 61.2 | 0 | 0 | 0 | 0 | 107.5 | P183 | P183-S185 PolarHBondContact O-N 3.02Š| ||
| 186 | G | 31.5 | Very low | 37.2 | Very low | 74 Ų | 74 | 136.8 Ų | 136.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | -67.4 | 135.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 187 | L | 34.8 | Very low | 37.7 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -144.6 | 108.6 | 139.4 | -75.6 | -178 | 0 | 0 | 0 | 106.2 | I189 | L187-I189 PolarHBondContact O-N 3.4Š| ||
| 188 | D | 42.2 | Very low | 37.6 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -55.6 | 126.2 | 159.8 | -77.8 | -51.7 | 0 | 0 | 0 | 108.5 | ||||
| 189 | I | 43.4 | Very low | 38 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -145.3 | 122.5 | 154.3 | -135.6 | 79.1 | 0 | 0 | 0 | 107.2 | L187 | L187-I189 PolarHBondContact O-N 3.4Š| ||
| 190 | D | 40.1 | Very low | 38.7 | Very low | 147 Ų | 147 | 145.5 Ų | 145.5 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | trans | -47.9 | 157.6 | -175.4 | -65.6 | -61.9 | 0 | 0 | 0 | 114.3 | ||||
| 191 | T | 38.5 | Very low | 39.2 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | 131 | 112.6 | 124.6 | -52.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 192 | M | 43.3 | Very low | 40 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | 81.7 | 99.4 | 150.6 | -61.8 | -80.6 | 176 | 0 | 0 | 120 | ||||
| 193 | D | 53.6 | Low | 40.8 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -48.7 | 129.2 | 138.3 | -85.2 | -48.8 | 0 | 0 | 0 | 111 | ||||
| 194 | A | 43.5 | Very low | 41.3 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -146.6 | 117.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 195 | F | 43.7 | Very low | 41.9 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | 90.6 | 76.6 | 168 | -63.6 | -82.7 | 0 | 0 | 0 | 118.7 | ||||
| 196 | G | 41.4 | Very low | 42.8 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -63.6 | 144.7 | 136.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 197 | K | 41.9 | Very low | 44 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 58.6 | 114.5 | 159.7 | -97.3 | 176 | 174.1 | 175.4 | 0 | 118.1 | ||||
| 198 | L | 37.8 | Very low | 44.9 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | -169.5 | 132.6 | 119.3 | -98.4 | 154.9 | 0 | 0 | 0 | 112.1 | |||||
| 199 | S | 38.8 | Very low | 45.2 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 59% | 0.594 | 79% | 0.787 | S | S | * | * | trans | 68.2 | 105.7 | 140.7 | -47.1 | 0 | 0 | 0 | 0 | 121.2 | V201 | S199-V201 PolarHBondContact O-N 3.43Š| ||
| 200 | Q | 50.9 | Low | 45.3 | Very low | 194 Ų | 194 | 144 Ų | 144 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | 7.6 | 88.7 | 125.8 | -169.3 | 167.9 | -6 | 0 | 0 | 115.2 | |||||
| 201 | V | 39.6 | Very low | 45.5 | Very low | 121 Ų | 121 | 152 Ų | 152 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | -91.8 | 99.4 | 166.3 | 177.6 | 0 | 0 | 0 | 0 | 107.8 | S199 I203 | S199-V201 PolarHBondContact O-N 3.43Å; V201-I203 HydrophobicContact CG1-CG1 3.86Å; V201-I203 PolarHBondContact O-N 3.28Å | ||
| 202 | S | 46.1 | Very low | 45.8 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -71.6 | 101.3 | 162.5 | 52.8 | 0 | 0 | 0 | 0 | 108.6 | Q204 | S202-Q204 PolarHBondContact O-N 3.46Š| ||
| 203 | I | 46.1 | Very low | 45.9 | Very low | 146 Ų | 146 | 152.8 Ų | 152.8 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | -75.4 | 92.7 | 172.7 | -56.3 | 174.2 | 0 | 0 | 0 | 107.5 | V201 S205 | V201-I203 HydrophobicContact CG1-CG1 3.86Å; V201-I203 PolarHBondContact O-N 3.28Å; I203-S205 PolarHBondContact O-N 3.21Å | ||
| 204 | Q | 44.2 | Very low | 45.5 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -79.9 | 104.9 | 172.6 | -161.8 | 158.2 | -10.7 | 0 | 0 | 108.5 | S202 | S202-Q204 PolarHBondContact O-N 3.46Š| ||
| 205 | S | 45.8 | Very low | 45.6 | Very low | 85 Ų | 85 | 156.1 Ų | 156.1 | 59% | 0.594 | 81% | 0.813 | S | S | * | * | trans | -68.8 | 132.4 | 179.6 | -70.5 | 0 | 0 | 0 | 0 | 110.7 | I203 S207 | I203-S205 PolarHBondContact O-N 3.21Å; S205-S207 PolarHBondContact O-N 3.06Å | ||
| 206 | P | 52.7 | Low | 45.8 | Very low | 136 Ų | 136 | 153.3 Ų | 153.3 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 2.3 | -175.5 | -12.7 | 27.2 | 0 | 0 | 0 | 114.8 | F208 | P206-F208 PolarHBondContact O-N 3.03Š|
| 207 | S | 54.8 | Low | 46 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -6.4 | -168.9 | -178.4 | 0 | 0 | 0 | 0 | 114.6 | S205 | S205-S207 PolarHBondContact O-N 3.06Š|
| 208 | F | 54.4 | Low | 46.3 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 68.2 | -176.1 | -122 | -90.7 | 0 | 0 | 0 | 111.2 | P206 | P206-F208 PolarHBondContact O-N 3.03Š| ||
| 209 | N | 47.8 | Very low | 47 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -152.6 | 89 | 155.3 | -114.1 | -12.9 | 0 | 0 | 0 | 110.4 | ||||
| 210 | K | 45.4 | Very low | 47.7 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -157.2 | 115.7 | 149.2 | -132 | 170.4 | -175.3 | 171.9 | 0 | 111.8 | ||||
| 211 | R | 44.4 | Very low | 47.4 | Very low | 315 Ų | 315 | 158.4 Ų | 158.4 | 100% | 1.189 | 82% | 0.818 | S | S | * | * | trans | 83.7 | 0 | 170.7 | -61.4 | -172.1 | -163.4 | 173.8 | 6.1 | 117.1 |
Retrieved 211 of 211 residues in 563.6 ms
(Link to these results)