| 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 | 39 | Very low | 53.5 | Low | 249 Ų | 249 | 124.7 Ų | 124.7 | 100% | 1.227 | 74% | 0.74 | S | S | * | * | 0 | 116.6 | 0 | -70.6 | 171.9 | 124.2 | 0 | 0 | 106.4 | |||||
| 2 | A | 39.6 | Very low | 54.3 | Low | 105 Ų | 105 | 118.8 Ų | 118.8 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 129.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 3 | S | 47.1 | Very low | 55.5 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 138.8 | 170 | -76.5 | 0 | 0 | 0 | 0 | 110 | N5 | S3-N5 PolarHBondContact O-N 3.34Š|
| 4 | P | 49.3 | Very low | 56.3 | Low | 125 Ų | 125 | 117.4 Ų | 117.4 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 122.2 | 176 | 31.3 | -30.5 | 0 | 0 | 0 | 108.8 | G6 | P4-G6 PolarHBondContact O-N 3.09Š|
| 5 | N | 52 | Low | 56.6 | Low | 145 Ų | 145 | 117 Ų | 117 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | trans | -76.7 | 69.1 | 176.6 | -154.4 | 64.9 | 0 | 0 | 0 | 109.1 | S3 | S3-N5 PolarHBondContact O-N 3.34Š| ||
| 6 | G | 54.6 | Low | 56.8 | Low | 49 Ų | 49 | 116.2 Ų | 116.2 | 51% | 0.505 | 70% | 0.696 | S | S | . | * | trans | -102.3 | 18 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P4 | P4-G6 PolarHBondContact O-N 3.09Š| ||
| 7 | G | 55.6 | Low | 57.3 | Low | 53 Ų | 53 | 120.1 Ų | 120.1 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -77 | -33.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D9 | G7-D9 PolarHBondContact O-N 3.28Š|
| 8 | D | 57.3 | Low | 57.5 | Low | 114 Ų | 114 | 121.2 Ų | 121.2 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -76.3 | -25.3 | -170.4 | -56.5 | -35.7 | 0 | 0 | 0 | 112.9 | S12 | D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 2.91Å; D8-S12 PolarHBondContact O-OG 3.13Å |
| 9 | D | 63.4 | Low | 57.7 | Low | 125 Ų | 125 | 121.9 Ų | 121.9 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -75.1 | -26.6 | -179.1 | -72.2 | -40.7 | 0 | 0 | 0 | 113.4 | G7 S12 S13 | G7-D9 PolarHBondContact O-N 3.28Å; D9-S12 VanDerWaalsContact CA-OG 3.29Å; D9-S12 WeakPolarHBondContact CA-OG 3.39Å; D9-S12 PolarHBondContact O-OG 3.48Å; D9-S12 VanDerWaalsContact O-OG 3.08Å; D9-S13 WeakPolarHBondContact O-CB 3.25Å; D9-S13 PolarHBondContact O-N 3.04Å |
| 10 | F | 66.8 | Low | 57.8 | Low | 145 Ų | 145 | 120.6 Ų | 120.6 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -79.9 | -45.3 | -179.6 | -176.8 | -101.1 | 0 | 0 | 0 | 111.9 | S12 S13 L14 | F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 3.16Å; F10-S13 PolarHBondContact O-N 3.43Å; F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.55Å; F10-L14 HydrophobicContact CE1-CG 4.32Å; F10-L14 HydrophobicContact CZ-CD1 4.06Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 PolarHBondContact O-N 3.39Å |
| 11 | E | 64 | Low | 57.7 | Low | 148 Ų | 148 | 121.7 Ų | 121.7 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.9 | -38.8 | 175.9 | -75.9 | -152 | 147 | 0 | 0 | 111.6 | S13 L14 L15 | E11-S13 VanDerWaalsContact C-N 3.32Å; E11-S13 PolarHBondContact O-N 2.96Å; E11-L14 PolarHBondContact O-N 3.4Å; E11-L14 VanDerWaalsContact O-N 3.15Å; E11-L15 PolarHBondContact O-N 3.44Å |
| 12 | S | 62.7 | Low | 58.7 | Low | 53 Ų | 53 | 116.1 Ų | 116.1 | 37% | 0.371 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67 | -32.3 | 176.3 | 53 | 0 | 0 | 0 | 0 | 112.9 | D8 D9 F10 L14 L15 | D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 2.91Å; D8-S12 PolarHBondContact O-OG 3.13Å; D9-S12 VanDerWaalsContact CA-OG 3.29Å; D9-S12 WeakPolarHBondContact CA-OG 3.39Å; D9-S12 PolarHBondContact O-OG 3.48Å; D9-S12 VanDerWaalsContact O-OG 3.08Å; F10-S12 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 3.16Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.37Å; S12-L15 PolarHBondContact O-N 2.69Å |
| 13 | S | 69.9 | Low | 59.6 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.8 | -16.6 | 173.1 | -172.2 | 0 | 0 | 0 | 0 | 114.2 | D9 F10 E11 | D9-S13 WeakPolarHBondContact O-CB 3.25Å; D9-S13 PolarHBondContact O-N 3.04Å; F10-S13 PolarHBondContact O-N 3.43Å; E11-S13 VanDerWaalsContact C-N 3.32Å; E11-S13 PolarHBondContact O-N 2.96Å |
| 14 | L | 66.3 | Low | 59.6 | Low | 120 Ų | 120 | 114.2 Ų | 114.2 | 63% | 0.628 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -9.4 | 176 | -68.4 | 174.7 | 0 | 0 | 0 | 113.1 | F10 E11 S12 S16 | F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.55Å; F10-L14 HydrophobicContact CE1-CG 4.32Å; F10-L14 HydrophobicContact CZ-CD1 4.06Å; F10-L14 HydrophobicContact CZ-CG 4.48Å; F10-L14 PolarHBondContact O-N 3.39Å; E11-L14 PolarHBondContact O-N 3.4Å; E11-L14 VanDerWaalsContact O-N 3.15Å; S12-L14 VanDerWaalsContact C-N 3.26Å; S12-L14 PolarHBondContact O-N 3.37Å; L14-S16 PolarHBondContact O-N 3.18Å |
| 15 | L | 60.8 | Low | 59.9 | Low | 111 Ų | 111 | 111.1 Ų | 111.1 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | trans | -77.1 | 117.6 | 174.9 | -65.9 | 170.9 | 0 | 0 | 0 | 109.4 | E11 S12 F17 | E11-L15 PolarHBondContact O-N 3.44Å; S12-L15 PolarHBondContact O-N 2.69Å; L15-F17 HydrophobicContact CB-CE2 4.23Å; L15-F17 HydrophobicContact CB-CZ 4.18Å | ||
| 16 | S | 60.2 | Low | 60.2 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -84 | 118.5 | 168.8 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | L14 E18 | L14-S16 PolarHBondContact O-N 3.18Å; S16-E18 PolarHBondContact O-N 2.88Å | ||
| 17 | F | 66 | Low | 60.1 | Low | 183 Ų | 183 | 113.9 Ų | 113.9 | 80% | 0.803 | 63% | 0.628 | S | S | * | * | trans | -88.5 | 18.7 | 174.4 | -61.7 | -80.2 | 0 | 0 | 0 | 112.3 | L15 N19 | L15-F17 HydrophobicContact CB-CE2 4.23Å; L15-F17 HydrophobicContact CB-CZ 4.18Å; F17-N19 PolarHBondContact O-N 3.21Å | ||
| 18 | E | 59.9 | Low | 60.3 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | trans | -74.5 | 108 | 178.8 | -170.3 | 178.7 | 175.7 | 0 | 0 | 109.1 | S16 L20 | S16-E18 PolarHBondContact O-N 2.88Å; E18-L20 HydrophobicContact CG-CG 4.34Å; E18-L20 PolarHBondContact O-N 3.4Å; E18-L20 VanDerWaalsContact O-N 3.16Å | ||
| 19 | N | 62.1 | Low | 60.3 | Low | 134 Ų | 134 | 115 Ų | 115 | 72% | 0.717 | 62% | 0.621 | S | S | * | * | trans | -77.3 | 100.3 | 170.5 | -166.6 | -12 | 0 | 0 | 0 | 108.4 | F17 D21 | F17-N19 PolarHBondContact O-N 3.21Å; N19-D21 PolarHBondContact O-N 3.43Å; N19-D21 PolarHBondContact OD1-N 3.32Å | ||
| 20 | L | 58.8 | Low | 60.2 | Low | 95 Ų | 95 | 115.2 Ų | 115.2 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | trans | -71.7 | -13.3 | -176.1 | -79.7 | 152.2 | 0 | 0 | 0 | 113 | E18 R22 | E18-L20 HydrophobicContact CG-CG 4.34Å; E18-L20 PolarHBondContact O-N 3.4Å; E18-L20 VanDerWaalsContact O-N 3.16Å; L20-R22 HydrophobicContact CB-CB 4.05Å; L20-R22 HydrophobicContact CB-CG 3.98Å; L20-R22 WeakPolarHBondContact O-CG 3.48Å; L20-R22 PolarHBondContact O-N 3.03Å | ||
| 21 | D | 56.8 | Low | 60 | Low | 145 Ų | 145 | 117.5 Ų | 117.5 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | trans | 43.7 | 30.9 | -171.8 | -98.4 | -10.4 | 0 | 0 | 0 | 112.6 | N19 | N19-D21 PolarHBondContact O-N 3.43Å; N19-D21 PolarHBondContact OD1-N 3.32Å | ||
| 22 | R | 58.6 | Low | 60.1 | Low | 131 Ų | 131 | 111.5 Ų | 111.5 | 49% | 0.494 | 60% | 0.603 | S | S | . | * | trans | -97.3 | 15.8 | -178.1 | -79.2 | 179.6 | -164.7 | -117.2 | -9.8 | 112.5 | L20 S24 | L20-R22 HydrophobicContact CB-CB 4.05Å; L20-R22 HydrophobicContact CB-CG 3.98Å; L20-R22 WeakPolarHBondContact O-CG 3.48Å; L20-R22 PolarHBondContact O-N 3.03Å; R22-S24 PolarHBondContact O-N 3.46Å; R22-S24 VanDerWaalsContact O-N 3.09Å | ||
| 23 | A | 58.5 | Low | 60.4 | Low | 88 Ų | 88 | 114.4 Ų | 114.4 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.4 | 168 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||
| 24 | S | 47.2 | Very low | 60.3 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 132.6 | 167.7 | -61.5 | 0 | 0 | 0 | 0 | 107.1 | R22 D26 | R22-S24 PolarHBondContact O-N 3.46Å; R22-S24 VanDerWaalsContact O-N 3.09Å; S24-D26 PolarHBondContact O-N 3.03Å |
| 25 | P | 57 | Low | 60.5 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 38% | 0.383 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -47.2 | 137.1 | 176.5 | -26.6 | 33 | 0 | 0 | 0 | 109.7 | L27 Y88 | P25-L27 PolarHBondContact O-N 3.49Å; P25-Y88 HydrophobicContact CG-CD2 4.2Å; P25-Y88 HydrophobicContact CG-CE2 3.88Å |
| 26 | D | 57.4 | Low | 60.9 | Low | 134 Ų | 134 | 103.9 Ų | 103.9 | 72% | 0.717 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -53 | 129.9 | -176.7 | -146.2 | 10.9 | 0 | 0 | 0 | 109.1 | S24 W28 P29 | S24-D26 PolarHBondContact O-N 3.03Å; D26-W28 VanDerWaalsContact C-N 3.35Å; D26-W28 PolarHBondContact O-N 2.91Å; D26-P29 WeakPolarHBondContact O-CD 3.34Å |
| 27 | L | 52.5 | Low | 61.5 | Low | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -73 | 94.6 | -172.8 | -146.2 | 97.7 | 0 | 0 | 0 | 108.3 | P25 | P25-L27 PolarHBondContact O-N 3.49Š|
| 28 | W | 59.7 | Low | 61.6 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 31% | 0.311 | 53% | 0.533 | S | S | . | . | trans | 61 | 76.9 | -180 | -43.8 | -19.7 | 0 | 0 | 0 | 113.1 | D26 E30 V35 E94 M98 | D26-W28 VanDerWaalsContact C-N 3.35Å; D26-W28 PolarHBondContact O-N 2.91Å; W28-E30 PolarHBondContact O-N 2.91Å; W28-V35 HydrophobicContact CE3-CG1 3.99Å; W28-V35 HydrophobicContact CZ3-CG1 3.49Å; W28-V35 VanDerWaalsContact CZ3-CG1 3.49Å; W28-E94 HydrophobicContact CZ2-CG 4.49Å; W28-M98 HydrophobicContact CD2-CE 4.01Å; W28-M98 HydrophobicContact CD2-CG 4.46Å; W28-M98 HydrophobicContact CE3-CE 3.94Å; W28-M98 HydrophobicContact CH2-CE 3.42Å; W28-M98 VanDerWaalsContact CH2-CE 3.42Å; W28-M98 HydrophobicContact CH2-CG 4.38Å; W28-M98 HydrophobicContact CH2-SD 3.85Å; W28-M98 HydrophobicContact CZ2-CE 3.51Å; W28-M98 HydrophobicContact CZ2-CG 3.5Å; W28-M98 HydrophobicContact CZ2-SD 3.53Å; W28-M98 VanDerWaalsContact CZ2-SD 3.53Å; W28-M98 HydrophobicContact CZ3-CE 3.66Å | ||
| 29 | P | 57.4 | Low | 62 | Low | 109 Ų | 109 | 94.2 Ų | 94.2 | 71% | 0.708 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -62.2 | -19.3 | -177.1 | 23.4 | -32.7 | 0 | 0 | 0 | 113.7 | D26 | D26-P29 WeakPolarHBondContact O-CD 3.34Š|
| 30 | E | 61.6 | Low | 62 | Low | 130 Ų | 130 | 90.8 Ų | 90.8 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -98.1 | 125.1 | 168.3 | -73.7 | -165.9 | 161.2 | 0 | 0 | 111.3 | W28 L32 K102 | W28-E30 PolarHBondContact O-N 2.91Å; E30-L32 PolarHBondContact O-N 3.24Å; E30-K102 IonicContact OE2-NZ 3.46Å; E30-K102 PolarHBondContact OE2-NZ 3.42Å |
| 31 | Q | 63.3 | Low | 62.2 | Low | 193 Ų | 193 | 90 Ų | 90 | 90% | 0.902 | 52% | 0.521 | S | S | * | . | trans | -68 | 97.6 | 172.8 | -157 | 172.5 | 45 | 0 | 0 | 109.6 | P33 | Q31-P33 WeakPolarHBondContact O-CD 3.38Š| ||
| 32 | L | 66.1 | Low | 62 | Low | 22 Ų | 22 | 90.3 Ų | 90.3 | 12% | 0.115 | 51% | 0.512 | C | S | . | . | trans | -70 | 122.4 | -179.8 | -64.5 | -179 | 0 | 0 | 0 | 110.4 | E30 G34 V35 M98 K102 | E30-L32 PolarHBondContact O-N 3.24Å; L32-G34 PolarHBondContact O-N 3.31Å; L32-V35 HydrophobicContact CB-CB 4.23Å; L32-V35 HydrophobicContact CB-CG2 3.5Å; L32-V35 VanDerWaalsContact CB-CG2 3.5Å; L32-V35 HydrophobicContact CD1-CG2 4.08Å; L32-V35 HydrophobicContact CG-CG2 4.36Å; L32-V35 WeakPolarHBondContact O-CB 3.5Å; L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-N 3.15Å; L32-M98 HydrophobicContact CD1-CE 4.16Å; L32-K102 HydrophobicContact CD1-CB 4.45Å; L32-K102 HydrophobicContact CD2-CB 4.45Å; L32-K102 HydrophobicContact CD2-CD 3.41Å; L32-K102 VanDerWaalsContact CD2-CD 3.41Å; L32-K102 HydrophobicContact CD2-CG 3.92Å | ||
| 33 | P | 67.3 | Low | 61.6 | Low | 113 Ų | 113 | 92.8 Ų | 92.8 | 73% | 0.734 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.1 | 175.8 | -22.1 | 32.3 | 0 | 0 | 0 | 110.7 | Q31 V35 | Q31-P33 WeakPolarHBondContact O-CD 3.38Å; P33-V35 VanDerWaalsContact C-N 3.32Å; P33-V35 PolarHBondContact O-N 2.95Å |
| 34 | G | 68.6 | Low | 60.9 | Low | 12 Ų | 12 | 94.2 Ų | 94.2 | 12% | 0.124 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -15.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L32 E37 F38 | L32-G34 PolarHBondContact O-N 3.31Å; G34-E37 PolarHBondContact O-N 2.93Å; G34-F38 WeakPolarHBondContact O-CA 3.38Å; G34-F38 WeakPolarHBondContact O-CB 3.35Å; G34-F38 PolarHBondContact O-N 3.45Å |
| 35 | V | 71.4 | Confident | 60.8 | Low | 25 Ų | 25 | 94.6 Ų | 94.6 | 15% | 0.152 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -63.2 | -49.7 | 176.4 | 160.3 | 0 | 0 | 0 | 0 | 112.2 | W28 L32 P33 E37 F38 A39 M98 L107 | W28-V35 HydrophobicContact CE3-CG1 3.99Å; W28-V35 HydrophobicContact CZ3-CG1 3.49Å; W28-V35 VanDerWaalsContact CZ3-CG1 3.49Å; L32-V35 HydrophobicContact CB-CB 4.23Å; L32-V35 HydrophobicContact CB-CG2 3.5Å; L32-V35 VanDerWaalsContact CB-CG2 3.5Å; L32-V35 HydrophobicContact CD1-CG2 4.08Å; L32-V35 HydrophobicContact CG-CG2 4.36Å; L32-V35 WeakPolarHBondContact O-CB 3.5Å; L32-V35 PolarHBondContact O-N 2.99Å; L32-V35 VanDerWaalsContact O-N 3.15Å; P33-V35 VanDerWaalsContact C-N 3.32Å; P33-V35 PolarHBondContact O-N 2.95Å; V35-E37 PolarHBondContact O-N 3.29Å; V35-F38 PolarHBondContact O-N 3.46Å; V35-A39 WeakPolarHBondContact O-CB 3.49Å; V35-A39 PolarHBondContact O-N 3.03Å; V35-M98 HydrophobicContact CG2-CE 3.93Å; V35-L107 HydrophobicContact CG2-CD1 3.37Å |
| 36 | A | 69.6 | Low | 60.5 | Low | 73 Ų | 73 | 98.9 Ų | 98.9 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.7 | -35.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A40 | A36-A40 VanDerWaalsContact O-CB 3.28Å; A36-A40 WeakPolarHBondContact O-CB 3.4Å; A36-A40 PolarHBondContact O-N 3Å |
| 37 | E | 71 | Confident | 60.2 | Low | 83 Ų | 83 | 96.6 Ų | 96.6 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -79.7 | -32.6 | -179.8 | -61.4 | 168 | 128.2 | 0 | 0 | 111.2 | G34 V35 A40 S41 R109 | G34-E37 PolarHBondContact O-N 2.93Å; V35-E37 PolarHBondContact O-N 3.29Å; E37-A40 CarbonylContact O-C 3.58Å; E37-A40 PolarHBondContact O-N 3.21Å; E37-S41 WeakPolarHBondContact O-CA 3.31Å; E37-S41 WeakPolarHBondContact O-CB 3.43Å; E37-S41 PolarHBondContact O-N 3.45Å; E37-S41 PolarHBondContact O-OG 2.89Å; E37-R109 IonicContact OE1-CZ 3.73Å; E37-R109 IonicContact OE1-NH1 3.32Å; E37-R109 PolarHBondContact OE1-NH1 3.24Å; E37-R109 IonicContact OE1-NH2 2.94Å; E37-R109 PolarHBondContact OE1-NH2 2.69Å; E37-R109 IonicContact OE2-CZ 3.14Å; E37-R109 VanDerWaalsContact OE2-CZ 3.32Å; E37-R109 IonicContact OE2-NH1 2.86Å; E37-R109 PolarHBondContact OE2-NH1 3.41Å; E37-R109 IonicContact OE2-NH2 2.69Å; E37-R109 PolarHBondContact OE2-NH2 2.87Å; E37-R109 VanDerWaalsContact OE2-NH2 3.08Å |
| 38 | F | 68.3 | Low | 60.3 | Low | 76 Ų | 76 | 98.7 Ų | 98.7 | 33% | 0.333 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -47.6 | 171.1 | -178 | -98 | 0 | 0 | 0 | 110.6 | G34 V35 A40 S41 Y42 L107 | G34-F38 WeakPolarHBondContact O-CA 3.38Å; G34-F38 WeakPolarHBondContact O-CB 3.35Å; G34-F38 PolarHBondContact O-N 3.45Å; V35-F38 PolarHBondContact O-N 3.46Å; F38-A40 VanDerWaalsContact C-N 3.28Å; F38-A40 PolarHBondContact O-N 3.38Å; F38-S41 VanDerWaalsContact CA-OG 3.25Å; F38-S41 WeakPolarHBondContact CA-OG 3.49Å; F38-S41 CarbonylContact O-C 3.51Å; F38-S41 PolarHBondContact O-N 3.18Å; F38-S41 PolarHBondContact O-OG 2.9Å; F38-Y42 HydrophobicContact CD1-CD2 4.06Å; F38-Y42 HydrophobicContact CD1-CE2 4.22Å; F38-Y42 AromaticContact CE1-CD2 3.76Å; F38-Y42 HydrophobicContact CE1-CD2 3.76Å; F38-Y42 AromaticContact CE1-CE2 3.46Å; F38-Y42 HydrophobicContact CE1-CE2 3.46Å; F38-Y42 VanDerWaalsContact CE1-CE2 3.46Å; F38-Y42 HydrophobicContact CE2-CD2 4.39Å; F38-Y42 AromaticContact CE2-CE2 3.94Å; F38-Y42 HydrophobicContact CE2-CE2 3.94Å; F38-Y42 AromaticContact CZ-CD2 3.98Å; F38-Y42 HydrophobicContact CZ-CD2 3.98Å; F38-Y42 AromaticContact CZ-CE2 3.34Å; F38-Y42 HydrophobicContact CZ-CE2 3.34Å; F38-Y42 PolarHBondContact O-N 3.34Å; F38-L107 HydrophobicContact CB-CD2 4.07Å; F38-L107 HydrophobicContact CD1-CD2 3.54Å; F38-L107 HydrophobicContact CD2-CD2 3.52Å; F38-L107 HydrophobicContact CE1-CD2 3.62Å; F38-L107 HydrophobicContact CE2-CD2 3.61Å; F38-L107 HydrophobicContact CG-CD2 3.45Å; F38-L107 VanDerWaalsContact CG-CD2 3.45Å; F38-L107 HydrophobicContact CZ-CD2 3.61Å |
| 39 | A | 67.9 | Low | 60.2 | Low | 64 Ų | 64 | 98.1 Ų | 98.1 | 53% | 0.529 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.4 | -40 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V35 | V35-A39 WeakPolarHBondContact O-CB 3.49Å; V35-A39 PolarHBondContact O-N 3.03Å |
| 40 | A | 63.8 | Low | 60.7 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74.8 | -24.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | A36 E37 F38 K43 | A36-A40 VanDerWaalsContact O-CB 3.28Å; A36-A40 WeakPolarHBondContact O-CB 3.4Å; A36-A40 PolarHBondContact O-N 3Å; E37-A40 CarbonylContact O-C 3.58Å; E37-A40 PolarHBondContact O-N 3.21Å; F38-A40 VanDerWaalsContact C-N 3.28Å; F38-A40 PolarHBondContact O-N 3.38Å; A40-K43 WeakPolarHBondContact O-CG 3.45Å; A40-K43 PolarHBondContact O-N 3.18Å |
| 41 | S | 61.8 | Low | 61 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -84.1 | -23.8 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 112.9 | E37 F38 K43 | E37-S41 WeakPolarHBondContact O-CA 3.31Å; E37-S41 WeakPolarHBondContact O-CB 3.43Å; E37-S41 PolarHBondContact O-N 3.45Å; E37-S41 PolarHBondContact O-OG 2.89Å; F38-S41 VanDerWaalsContact CA-OG 3.25Å; F38-S41 WeakPolarHBondContact CA-OG 3.49Å; F38-S41 CarbonylContact O-C 3.51Å; F38-S41 PolarHBondContact O-N 3.18Å; F38-S41 PolarHBondContact O-OG 2.9Å; S41-K43 PolarHBondContact O-N 3.34Å |
| 42 | Y | 54 | Low | 61.5 | Low | 151 Ų | 151 | 90.4 Ų | 90.4 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | trans | -64.2 | 53.9 | 146.2 | -89.3 | -97.3 | 0 | 0 | 0 | 109.1 | F38 N44 | F38-Y42 HydrophobicContact CD1-CD2 4.06Å; F38-Y42 HydrophobicContact CD1-CE2 4.22Å; F38-Y42 AromaticContact CE1-CD2 3.76Å; F38-Y42 HydrophobicContact CE1-CD2 3.76Å; F38-Y42 AromaticContact CE1-CE2 3.46Å; F38-Y42 HydrophobicContact CE1-CE2 3.46Å; F38-Y42 VanDerWaalsContact CE1-CE2 3.46Å; F38-Y42 HydrophobicContact CE2-CD2 4.39Å; F38-Y42 AromaticContact CE2-CE2 3.94Å; F38-Y42 HydrophobicContact CE2-CE2 3.94Å; F38-Y42 AromaticContact CZ-CD2 3.98Å; F38-Y42 HydrophobicContact CZ-CD2 3.98Å; F38-Y42 AromaticContact CZ-CE2 3.34Å; F38-Y42 HydrophobicContact CZ-CE2 3.34Å; F38-Y42 PolarHBondContact O-N 3.34Å; Y42-N44 PolarHBondContact O-N 2.91Å | ||
| 43 | K | 48.7 | Very low | 62 | Low | 182 Ų | 182 | 99.1 Ų | 99.1 | 79% | 0.791 | 55% | 0.547 | S | S | * | . | trans | -63.5 | 77.8 | 146.1 | -66.2 | -167.5 | -179.1 | -179.4 | 0 | 106.1 | A40 S41 | A40-K43 WeakPolarHBondContact O-CG 3.45Å; A40-K43 PolarHBondContact O-N 3.18Å; S41-K43 PolarHBondContact O-N 3.34Å | ||
| 44 | N | 44.5 | Very low | 62.4 | Low | 119 Ų | 119 | 98.9 Ų | 98.9 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | trans | -90.2 | 146.2 | 144 | -85.7 | -17.3 | 0 | 0 | 0 | 106.6 | Y42 I46 | Y42-N44 PolarHBondContact O-N 2.91Å; N44-I46 PolarHBondContact O-N 3.37Å | ||
| 45 | P | 45.6 | Very low | 63 | Low | 100 Ų | 100 | 100.8 Ų | 100.8 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | trans | -42.5 | 125.6 | -178.4 | 21 | -34 | 0 | 0 | 0 | 106.7 | T47 | P45-T47 PolarHBondContact O-N 3.01Š| ||
| 46 | I | 49.9 | Very low | 63.8 | Low | 149 Ų | 149 | 108.4 Ų | 108.4 | 76% | 0.764 | 59% | 0.585 | S | S | * | * | trans | -55.1 | 96.6 | 146.5 | -61.5 | 167.7 | 0 | 0 | 0 | 101.2 | N44 N48 | N44-I46 PolarHBondContact O-N 3.37Å; I46-N48 PolarHBondContact O-N 2.98Å | ||
| 47 | T | 51.8 | Low | 64.6 | Low | 86 Ų | 86 | 110.5 Ų | 110.5 | 53% | 0.528 | 59% | 0.586 | S | S | . | * | trans | -51.4 | 112.1 | 158.4 | 55.9 | 0 | 0 | 0 | 0 | 100.5 | P45 S49 | P45-T47 PolarHBondContact O-N 3.01Å; T47-S49 WeakPolarHBondContact CB-OG 3.49Å; T47-S49 CarbonylContact O-C 3.54Å; T47-S49 PolarHBondContact O-N 3.26Å; T47-S49 PolarHBondContact OG1-OG 3.49Å | ||
| 48 | N | 54.4 | Low | 65.6 | Low | 161 Ų | 161 | 110.6 Ų | 110.6 | 86% | 0.861 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -56.7 | -3.9 | 174.8 | -83.6 | -26.3 | 0 | 0 | 0 | 111.1 | I46 | I46-N48 PolarHBondContact O-N 2.98Š|
| 49 | S | 56.6 | Low | 66.6 | Low | 70 Ų | 70 | 111.4 Ų | 111.4 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -60.8 | 132.2 | 163.8 | 59.6 | 0 | 0 | 0 | 0 | 110.8 | T47 | T47-S49 WeakPolarHBondContact CB-OG 3.49Å; T47-S49 CarbonylContact O-C 3.54Å; T47-S49 PolarHBondContact O-N 3.26Å; T47-S49 PolarHBondContact OG1-OG 3.49Å |
| 50 | P | 67.6 | Low | 67.8 | Low | 74 Ų | 74 | 115 Ų | 115 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -47.2 | 151.1 | 167.6 | -23.8 | 31.9 | 0 | 0 | 0 | 111.5 | M54 | P50-M54 HydrophobicContact CB-CB 3.46Å; P50-M54 VanDerWaalsContact CB-CB 3.46Å; P50-M54 HydrophobicContact CB-CG 4.44Å; P50-M54 HydrophobicContact CB-SD 4.45Å |
| 51 | P | 69.3 | Low | 69.1 | Low | 56 Ų | 56 | 114.4 Ų | 114.4 | 36% | 0.364 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 153.1 | 171.9 | 26.6 | -34.3 | 0 | 0 | 0 | 110.2 | W53 M54 A55 | P51-W53 HydrophobicContact CG-CD2 4.17Å; P51-W53 VanDerWaalsContact CG-CE2 3.41Å; P51-W53 HydrophobicContact CG-CH2 4.46Å; P51-W53 HydrophobicContact CG-CZ2 3.58Å; P51-W53 PolarHBondContact O-N 3.32Å; P51-M54 HydrophobicContact CG-CB 4.22Å; P51-M54 HydrophobicContact CG-CE 3.44Å; P51-M54 VanDerWaalsContact CG-CE 3.44Å; P51-M54 HydrophobicContact CG-CG 4.05Å; P51-M54 WeakPolarHBondContact O-CA 3.35Å; P51-M54 WeakPolarHBondContact O-CB 3.47Å; P51-M54 PolarHBondContact O-N 2.95Å; P51-A55 PolarHBondContact O-N 3.45Å |
| 52 | K | 73.4 | Confident | 70.7 | Confident | 140 Ų | 140 | 113.8 Ų | 113.8 | 61% | 0.609 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -53.5 | -32.7 | -170.6 | -165.9 | -178.9 | 179.1 | -171.8 | 0 | 113.8 | M54 A55 E58 | K52-M54 VanDerWaalsContact C-N 3.28Å; K52-M54 PolarHBondContact O-N 3.37Å; K52-A55 WeakPolarHBondContact O-CB 3.45Å; K52-A55 PolarHBondContact O-N 2.99Å; K52-E58 VanDerWaalsContact CE-OE1 3.31Å; K52-E58 WeakPolarHBondContact CE-OE1 3.44Å; K52-E58 WeakPolarHBondContact CE-OE2 3.44Å; K52-E58 IonicContact NZ-OE1 2.89Å; K52-E58 PolarHBondContact NZ-OE1 3.49Å; K52-E58 IonicContact NZ-OE2 3.5Å; K52-E58 PolarHBondContact NZ-OE2 3.15Å |
| 53 | W | 75.9 | Confident | 72.6 | Confident | 206 Ų | 206 | 112.8 Ų | 112.8 | 78% | 0.78 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -72.4 | -16 | 176.4 | 60.3 | -97.8 | 0 | 0 | 0 | 114.7 | P51 | P51-W53 HydrophobicContact CG-CD2 4.17Å; P51-W53 VanDerWaalsContact CG-CE2 3.41Å; P51-W53 HydrophobicContact CG-CH2 4.46Å; P51-W53 HydrophobicContact CG-CZ2 3.58Å; P51-W53 PolarHBondContact O-N 3.32Å |
| 54 | M | 75.9 | Confident | 74.8 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 53% | 0.532 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -93.9 | -4.6 | 168 | -75.1 | -155.8 | -98.7 | 0 | 0 | 112.6 | P50 P51 K52 | P50-M54 HydrophobicContact CB-CB 3.46Å; P50-M54 VanDerWaalsContact CB-CB 3.46Å; P50-M54 HydrophobicContact CB-CG 4.44Å; P50-M54 HydrophobicContact CB-SD 4.45Å; P51-M54 HydrophobicContact CG-CB 4.22Å; P51-M54 HydrophobicContact CG-CE 3.44Å; P51-M54 VanDerWaalsContact CG-CE 3.44Å; P51-M54 HydrophobicContact CG-CG 4.05Å; P51-M54 WeakPolarHBondContact O-CA 3.35Å; P51-M54 WeakPolarHBondContact O-CB 3.47Å; P51-M54 PolarHBondContact O-N 2.95Å; K52-M54 VanDerWaalsContact C-N 3.28Å; K52-M54 PolarHBondContact O-N 3.37Å |
| 55 | A | 82.3 | Confident | 77.1 | Confident | 51 Ų | 51 | 108.8 Ų | 108.8 | 42% | 0.421 | 57% | 0.57 | S | S | . | * | S | Bend | trans | -72.9 | 165.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P51 K52 | P51-A55 PolarHBondContact O-N 3.45Å; K52-A55 WeakPolarHBondContact O-CB 3.45Å; K52-A55 PolarHBondContact O-N 2.99Å |
| 56 | E | 87.1 | Confident | 79.5 | Confident | 185 Ų | 185 | 110.8 Ų | 110.8 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.2 | 171.7 | -66.4 | -176.8 | 172 | 0 | 0 | 110.2 | E58 | E56-E58 PolarHBondContact O-N 3.41Š|
| 57 | L | 87.8 | Confident | 81.7 | Confident | 117 Ų | 117 | 108.7 Ų | 108.7 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 124 | 180 | -65.9 | 173.4 | 0 | 0 | 0 | 110.1 | D61 I62 | L57-D61 HydrophobicContact CB-CB 4.23Å; L57-D61 HydrophobicContact CD2-CB 3.92Å; L57-I62 HydrophobicContact CB-CD1 4.47Å; L57-I62 HydrophobicContact CB-CG1 4.06Å |
| 58 | E | 90.4 | Very high | 83.7 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 40% | 0.402 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -72.1 | 163.1 | 174.2 | -63.8 | 173.7 | 167.9 | 0 | 0 | 109.4 | K52 E56 E60 D61 I62 | K52-E58 VanDerWaalsContact CE-OE1 3.31Å; K52-E58 WeakPolarHBondContact CE-OE1 3.44Å; K52-E58 WeakPolarHBondContact CE-OE2 3.44Å; K52-E58 IonicContact NZ-OE1 2.89Å; K52-E58 PolarHBondContact NZ-OE1 3.49Å; K52-E58 IonicContact NZ-OE2 3.5Å; K52-E58 PolarHBondContact NZ-OE2 3.15Å; E56-E58 PolarHBondContact O-N 3.41Å; E58-E60 PolarHBondContact O-N 3.23Å; E58-D61 WeakPolarHBondContact CB-OD2 3.39Å; E58-D61 PolarHBondContact N-OD2 3.22Å; E58-D61 WeakPolarHBondContact O-CB 3.38Å; E58-D61 PolarHBondContact O-N 3.33Å; E58-D61 VanDerWaalsContact O-N 3.09Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 3.44Å; E58-I62 VanDerWaalsContact O-N 3.15Å |
| 59 | S | 90.5 | Very high | 85.6 | Confident | 93 Ų | 93 | 103 Ų | 103 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.6 | -34.9 | 178.2 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | I62 E63 | S59-I62 PolarHBondContact O-N 3.09Å; S59-E63 WeakPolarHBondContact O-CG 3.48Å; S59-E63 PolarHBondContact O-N 3.22Å |
| 60 | E | 92.4 | Very high | 87.4 | Confident | 140 Ų | 140 | 104 Ų | 104 | 65% | 0.654 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 175.6 | -173.5 | 167.8 | -153.6 | 0 | 0 | 112.2 | E58 I62 E63 M64 | E58-E60 PolarHBondContact O-N 3.23Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 3.08Å; E60-E63 PolarHBondContact O-N 2.9Å; E60-M64 PolarHBondContact O-N 3.48Å |
| 61 | D | 92 | Very high | 88.8 | Confident | 49 Ų | 49 | 102.8 Ų | 102.8 | 26% | 0.262 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.8 | -60.7 | -43.5 | 0 | 0 | 0 | 111.2 | L57 E58 M64 L65 | L57-D61 HydrophobicContact CB-CB 4.23Å; L57-D61 HydrophobicContact CD2-CB 3.92Å; E58-D61 WeakPolarHBondContact CB-OD2 3.39Å; E58-D61 PolarHBondContact N-OD2 3.22Å; E58-D61 WeakPolarHBondContact O-CB 3.38Å; E58-D61 PolarHBondContact O-N 3.33Å; E58-D61 VanDerWaalsContact O-N 3.09Å; D61-M64 PolarHBondContact O-N 3.15Å; D61-L65 WeakPolarHBondContact O-CB 3.39Å; D61-L65 PolarHBondContact O-N 3.21Å |
| 62 | I | 93.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 104 Ų | 104 | 34% | 0.338 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.2 | -63 | 169.5 | 0 | 0 | 0 | 110.6 | L57 E58 S59 E60 L65 K66 | L57-I62 HydrophobicContact CB-CD1 4.47Å; L57-I62 HydrophobicContact CB-CG1 4.06Å; E58-I62 WeakPolarHBondContact O-CG1 3.46Å; E58-I62 PolarHBondContact O-N 3.44Å; E58-I62 VanDerWaalsContact O-N 3.15Å; S59-I62 PolarHBondContact O-N 3.09Å; E60-I62 VanDerWaalsContact C-N 3.3Å; E60-I62 PolarHBondContact O-N 3.08Å; I62-L65 PolarHBondContact O-N 3.44Å; I62-K66 HydrophobicContact CG2-CD 4.33Å; I62-K66 VanDerWaalsContact O-CG 3.31Å; I62-K66 WeakPolarHBondContact O-CG 3.29Å; I62-K66 PolarHBondContact O-N 3.01Å |
| 63 | E | 95.4 | Very high | 91.1 | Very high | 131 Ų | 131 | 102.9 Ų | 102.9 | 61% | 0.612 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 175.2 | -76.2 | 176.9 | -172.3 | 0 | 0 | 111.6 | S59 E60 L65 K66 E67 | S59-E63 WeakPolarHBondContact O-CG 3.48Å; S59-E63 PolarHBondContact O-N 3.22Å; E60-E63 PolarHBondContact O-N 2.9Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3.32Å; E63-K66 WeakPolarHBondContact O-CB 3.31Å; E63-K66 PolarHBondContact O-N 3.16Å; E63-E67 PolarHBondContact O-N 3.41Å |
| 64 | M | 93.9 | Very high | 92.1 | Very high | 106 Ų | 106 | 96.4 Ų | 96.4 | 52% | 0.522 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175 | -176.7 | 177.2 | 62.2 | 0 | 0 | 111.7 | E60 D61 K66 E67 L68 | E60-M64 PolarHBondContact O-N 3.48Å; D61-M64 PolarHBondContact O-N 3.15Å; M64-K66 VanDerWaalsContact C-N 3.34Å; M64-K66 PolarHBondContact O-N 3.29Å; M64-E67 WeakPolarHBondContact O-CB 3.43Å; M64-E67 PolarHBondContact O-N 3.46Å; M64-L68 HydrophobicContact CG-CD1 4.42Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 2.92Å |
| 65 | L | 93.7 | Very high | 93 | Very high | 111 Ų | 111 | 94.9 Ų | 94.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.2 | -41.7 | 176.5 | -178.4 | 63.4 | 0 | 0 | 0 | 111.8 | D61 I62 E63 L68 G69 | D61-L65 WeakPolarHBondContact O-CB 3.39Å; D61-L65 PolarHBondContact O-N 3.21Å; I62-L65 PolarHBondContact O-N 3.44Å; E63-L65 VanDerWaalsContact C-N 3.32Å; E63-L65 PolarHBondContact O-N 3.32Å; L65-L68 PolarHBondContact O-N 3.15Å; L65-G69 PolarHBondContact O-N 3.4Å |
| 66 | K | 94.9 | Very high | 93.7 | Very high | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -41.4 | 175.9 | -73.8 | 170.6 | -179.2 | 172.4 | 0 | 111.7 | I62 E63 M64 G69 S70 | I62-K66 HydrophobicContact CG2-CD 4.33Å; I62-K66 VanDerWaalsContact O-CG 3.31Å; I62-K66 WeakPolarHBondContact O-CG 3.29Å; I62-K66 PolarHBondContact O-N 3.01Å; E63-K66 WeakPolarHBondContact O-CB 3.31Å; E63-K66 PolarHBondContact O-N 3.16Å; M64-K66 VanDerWaalsContact C-N 3.34Å; M64-K66 PolarHBondContact O-N 3.29Å; K66-G69 PolarHBondContact O-N 3.23Å; K66-S70 WeakPolarHBondContact O-CB 3.33Å; K66-S70 PolarHBondContact O-N 3.02Å |
| 67 | E | 95.6 | Very high | 94.1 | Very high | 105 Ų | 105 | 91.6 Ų | 91.6 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.7 | -52 | 174.9 | -173.9 | -172.2 | 151.4 | 0 | 0 | 109.9 | E63 M64 G69 S70 | E63-E67 PolarHBondContact O-N 3.41Å; M64-E67 WeakPolarHBondContact O-CB 3.43Å; M64-E67 PolarHBondContact O-N 3.46Å; E67-G69 VanDerWaalsContact C-N 3.34Å; E67-G69 PolarHBondContact O-N 2.83Å; E67-S70 PolarHBondContact O-N 3.12Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-S70 PolarHBondContact O-OG 3.28Å |
| 68 | L | 94.3 | Very high | 94.5 | Very high | 58 Ų | 58 | 92.6 Ų | 92.6 | 30% | 0.304 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 178.9 | -68.4 | 173.9 | 0 | 0 | 0 | 112.5 | M64 L65 S70 L71 L76 | M64-L68 HydrophobicContact CG-CD1 4.42Å; M64-L68 WeakPolarHBondContact O-CG 3.48Å; M64-L68 PolarHBondContact O-N 2.92Å; L65-L68 PolarHBondContact O-N 3.15Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.44Å; L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 PolarHBondContact O-N 3.07Å; L68-L76 HydrophobicContact CB-CD1 4.45Å; L68-L76 HydrophobicContact CD2-CD1 4.19Å |
| 69 | G | 94.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 93.6 Ų | 93.6 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.4 | -21.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L65 K66 E67 L71 | L65-G69 PolarHBondContact O-N 3.4Å; K66-G69 PolarHBondContact O-N 3.23Å; E67-G69 VanDerWaalsContact C-N 3.34Å; E67-G69 PolarHBondContact O-N 2.83Å; G69-L71 VanDerWaalsContact C-N 3.34Å |
| 70 | S | 95.8 | Very high | 94.9 | Very high | 93 Ų | 93 | 91.9 Ų | 91.9 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -81.4 | -12.9 | 176.7 | 76.2 | 0 | 0 | 0 | 0 | 113.7 | K66 E67 L68 | K66-S70 WeakPolarHBondContact O-CB 3.33Å; K66-S70 PolarHBondContact O-N 3.02Å; E67-S70 PolarHBondContact O-N 3.12Å; E67-S70 VanDerWaalsContact O-N 3.13Å; E67-S70 PolarHBondContact O-OG 3.28Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.44Å |
| 71 | L | 96 | Very high | 95 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 25% | 0.246 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -74.2 | 149.8 | -179.4 | -62.1 | 177.7 | 0 | 0 | 0 | 111.7 | L68 G69 N75 L76 K79 | L68-L71 HydrophobicContact CD2-CD1 4.29Å; L68-L71 PolarHBondContact O-N 3.07Å; G69-L71 VanDerWaalsContact C-N 3.34Å; L71-N75 HydrophobicContact CB-CB 4.2Å; L71-N75 HydrophobicContact CD2-CB 4.33Å; L71-L76 HydrophobicContact CB-CB 4.36Å; L71-K79 HydrophobicContact CD1-CG 3.97Å |
| 72 | T | 96.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 90.2 Ų | 90.2 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | trans | -65.6 | 155.4 | 164.6 | 67.4 | 0 | 0 | 0 | 0 | 109.8 | A74 N75 L76 | T72-A74 PolarHBondContact O-N 2.98Å; T72-A74 VanDerWaalsContact O-N 3.16Å; T72-N75 PolarHBondContact O-N 3.03Å; T72-N75 VanDerWaalsContact O-N 3.09Å; T72-N75 VanDerWaalsContact OG1-CG 3.31Å; T72-N75 PolarHBondContact OG1-N 2.87Å; T72-L76 PolarHBondContact O-N 3.5Å | ||
| 73 | T | 95 | Very high | 95.2 | Very high | 117 Ų | 117 | 92.4 Ų | 92.4 | 72% | 0.718 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.7 | -38.5 | 177.5 | -49.2 | 0 | 0 | 0 | 0 | 112.3 | L76 M77 | T73-L76 PolarHBondContact O-N 3.2Å; T73-M77 VanDerWaalsContact O-CG 3.25Å; T73-M77 WeakPolarHBondContact O-CG 3.47Å; T73-M77 PolarHBondContact O-N 3.41Å |
| 74 | A | 95.8 | Very high | 95.1 | Very high | 70 Ų | 70 | 90.3 Ų | 90.3 | 58% | 0.579 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T72 L76 M77 E78 | T72-A74 PolarHBondContact O-N 2.98Å; T72-A74 VanDerWaalsContact O-N 3.16Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.83Å; A74-M77 PolarHBondContact O-N 3.45Å; A74-E78 PolarHBondContact O-N 3.49Å |
| 75 | N | 95.6 | Very high | 95 | Very high | 77 Ų | 77 | 89.7 Ų | 89.7 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.9 | -35.8 | -179.9 | -67.6 | 1.9 | 0 | 0 | 0 | 111.7 | L71 T72 E78 K79 | L71-N75 HydrophobicContact CB-CB 4.2Å; L71-N75 HydrophobicContact CD2-CB 4.33Å; T72-N75 PolarHBondContact O-N 3.03Å; T72-N75 VanDerWaalsContact O-N 3.09Å; T72-N75 VanDerWaalsContact OG1-CG 3.31Å; T72-N75 PolarHBondContact OG1-N 2.87Å; N75-E78 PolarHBondContact O-N 3.46Å; N75-K79 PolarHBondContact O-N 3.39Å |
| 76 | L | 96.1 | Very high | 95 | Very high | 64 Ų | 64 | 88.5 Ų | 88.5 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.1 | -178.3 | 62.3 | 0 | 0 | 0 | 110.9 | L68 L71 T72 T73 A74 E78 K79 V80 | L68-L76 HydrophobicContact CB-CD1 4.45Å; L68-L76 HydrophobicContact CD2-CD1 4.19Å; L71-L76 HydrophobicContact CB-CB 4.36Å; T72-L76 PolarHBondContact O-N 3.5Å; T73-L76 PolarHBondContact O-N 3.2Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.83Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.87Å; L76-K79 PolarHBondContact O-N 2.78Å; L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.95Å |
| 77 | M | 95.8 | Very high | 94.8 | Very high | 103 Ų | 103 | 84.2 Ų | 84.2 | 51% | 0.507 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 176.5 | -70.8 | -58.3 | -63.9 | 0 | 0 | 112.5 | T73 A74 V80 K81 | T73-M77 VanDerWaalsContact O-CG 3.25Å; T73-M77 WeakPolarHBondContact O-CG 3.47Å; T73-M77 PolarHBondContact O-N 3.41Å; A74-M77 PolarHBondContact O-N 3.45Å; M77-V80 PolarHBondContact O-N 2.89Å; M77-K81 WeakPolarHBondContact O-CG 3.35Å; M77-K81 PolarHBondContact O-N 2.83Å |
| 78 | E | 95.8 | Very high | 94.4 | Very high | 138 Ų | 138 | 85.1 Ų | 85.1 | 65% | 0.645 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.7 | -44.9 | 173.7 | -171.9 | 176.5 | -172.9 | 0 | 0 | 112 | A74 N75 L76 V80 K81 G82 | A74-E78 PolarHBondContact O-N 3.49Å; N75-E78 PolarHBondContact O-N 3.46Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.87Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 3.27Å; E78-K81 PolarHBondContact O-N 3.35Å; E78-G82 PolarHBondContact O-N 3.09Å |
| 79 | K | 95.5 | Very high | 94.3 | Very high | 107 Ų | 107 | 88.4 Ų | 88.4 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.8 | -42.8 | 173.3 | -79 | -76.6 | -166.9 | 165.8 | 0 | 112 | L71 N75 L76 K81 G82 L83 | L71-K79 HydrophobicContact CD1-CG 3.97Å; N75-K79 PolarHBondContact O-N 3.39Å; L76-K79 PolarHBondContact O-N 2.78Å; K79-K81 PolarHBondContact O-N 3.31Å; K79-G82 PolarHBondContact O-N 2.95Å; K79-L83 WeakPolarHBondContact O-CG 3.41Å; K79-L83 PolarHBondContact O-N 3.48Å |
| 80 | V | 95 | Very high | 94.2 | Very high | 56 Ų | 56 | 89.6 Ų | 89.6 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 111 | L76 M77 E78 G82 L83 Q84 | L76-V80 WeakPolarHBondContact O-CG2 3.48Å; L76-V80 PolarHBondContact O-N 2.95Å; M77-V80 PolarHBondContact O-N 2.89Å; E78-V80 VanDerWaalsContact C-N 3.33Å; E78-V80 PolarHBondContact O-N 3.27Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.25Å; V80-L83 PolarHBondContact O-N 3.32Å; V80-Q84 WeakPolarHBondContact O-CG 3.23Å; V80-Q84 PolarHBondContact O-N 3.29Å |
| 81 | K | 93.9 | Very high | 93.8 | Very high | 117 Ų | 117 | 86.1 Ų | 86.1 | 51% | 0.509 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.7 | -72.7 | 175.3 | -179.2 | -179.7 | 0 | 111.9 | M77 E78 K79 Q84 N85 | M77-K81 WeakPolarHBondContact O-CG 3.35Å; M77-K81 PolarHBondContact O-N 2.83Å; E78-K81 PolarHBondContact O-N 3.35Å; K79-K81 PolarHBondContact O-N 3.31Å; K81-Q84 PolarHBondContact O-N 3.5Å; K81-N85 VanDerWaalsContact O-CG 3.22Å; K81-N85 PolarHBondContact O-N 3.26Å; K81-N85 PolarHBondContact O-ND2 3.23Å |
| 82 | G | 95.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 87.9 Ų | 87.9 | 39% | 0.392 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E78 K79 V80 Q84 N85 L86 | E78-G82 PolarHBondContact O-N 3.09Å; K79-G82 PolarHBondContact O-N 2.95Å; V80-G82 VanDerWaalsContact C-N 3.32Å; V80-G82 PolarHBondContact O-N 3.25Å; G82-Q84 PolarHBondContact O-N 2.87Å; G82-N85 PolarHBondContact O-N 3.35Å; G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 2.84Å |
| 83 | L | 95.1 | Very high | 93.1 | Very high | 111 Ų | 111 | 88.4 Ų | 88.4 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 176.2 | -72.5 | 171.1 | 0 | 0 | 0 | 112.2 | K79 V80 L86 A87 | K79-L83 WeakPolarHBondContact O-CG 3.41Å; K79-L83 PolarHBondContact O-N 3.48Å; V80-L83 PolarHBondContact O-N 3.32Å; L83-L86 PolarHBondContact O-N 3.01Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.77Å |
| 84 | Q | 92.3 | Very high | 92.8 | Very high | 88 Ų | 88 | 86.7 Ų | 86.7 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 174.5 | -72.2 | 175.1 | 0.2 | 0 | 0 | 111.9 | V80 K81 G82 A87 Y88 | V80-Q84 WeakPolarHBondContact O-CG 3.23Å; V80-Q84 PolarHBondContact O-N 3.29Å; K81-Q84 PolarHBondContact O-N 3.5Å; G82-Q84 PolarHBondContact O-N 2.87Å; Q84-A87 PolarHBondContact O-N 3.37Å; Q84-Y88 PolarHBondContact O-N 2.86Å |
| 85 | N | 92.8 | Very high | 92.2 | Very high | 93 Ų | 93 | 86.1 Ų | 86.1 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 177.2 | -68.2 | -18.5 | 0 | 0 | 0 | 111.6 | K81 G82 Y88 Q89 | K81-N85 VanDerWaalsContact O-CG 3.22Å; K81-N85 PolarHBondContact O-N 3.26Å; K81-N85 PolarHBondContact O-ND2 3.23Å; G82-N85 PolarHBondContact O-N 3.35Å; N85-Y88 PolarHBondContact O-N 2.98Å; N85-Q89 WeakPolarHBondContact O-CG 3.12Å; N85-Q89 PolarHBondContact O-N 3.02Å |
| 86 | L | 93.9 | Very high | 91.9 | Very high | 85 Ų | 85 | 88 Ų | 88 | 45% | 0.445 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 176 | 179.1 | 63.5 | 0 | 0 | 0 | 111.3 | G82 L83 Y88 Q89 L90 | G82-L86 WeakPolarHBondContact O-CB 3.36Å; G82-L86 PolarHBondContact O-N 2.84Å; L83-L86 PolarHBondContact O-N 3.01Å; L86-Y88 VanDerWaalsContact C-N 3.26Å; L86-Y88 PolarHBondContact O-N 3.05Å; L86-Q89 PolarHBondContact O-N 3.39Å; L86-L90 HydrophobicContact CD1-CD1 4.36Å; L86-L90 HydrophobicContact CD1-CG 4.31Å; L86-L90 HydrophobicContact CG-CD1 4.09Å; L86-L90 HydrophobicContact CG-CG 4.46Å; L86-L90 WeakPolarHBondContact O-CG 3.18Å; L86-L90 PolarHBondContact O-N 3.33Å |
| 87 | A | 89.2 | Confident | 91.6 | Very high | 53 Ų | 53 | 88.4 Ų | 88.4 | 44% | 0.438 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L83 Q84 L90 G91 | L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.77Å; Q84-A87 PolarHBondContact O-N 3.37Å; A87-L90 PolarHBondContact O-N 2.85Å; A87-G91 PolarHBondContact O-N 3.32Å |
| 88 | Y | 87.9 | Confident | 91 | Very high | 124 Ų | 124 | 85.4 Ų | 85.4 | 49% | 0.486 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 174.8 | 179.8 | -100.5 | 0 | 0 | 0 | 112.4 | P25 Q84 N85 L86 L90 G91 L92 | P25-Y88 HydrophobicContact CG-CD2 4.2Å; P25-Y88 HydrophobicContact CG-CE2 3.88Å; Q84-Y88 PolarHBondContact O-N 2.86Å; N85-Y88 PolarHBondContact O-N 2.98Å; L86-Y88 VanDerWaalsContact C-N 3.26Å; L86-Y88 PolarHBondContact O-N 3.05Å; Y88-L90 VanDerWaalsContact C-N 3.34Å; Y88-L90 PolarHBondContact O-N 3.01Å; Y88-G91 PolarHBondContact O-N 3.22Å; Y88-L92 HydrophobicContact CD1-CD1 4.11Å; Y88-L92 HydrophobicContact CD1-CG 4.49Å; Y88-L92 HydrophobicContact CE1-CD1 3.5Å; Y88-L92 HydrophobicContact CE1-CG 4.08Å; Y88-L92 PolarHBondContact O-N 3.41Å; Y88-L92 VanDerWaalsContact O-N 3.07Å |
| 89 | Q | 92.4 | Very high | 90.5 | Very high | 127 Ų | 127 | 82 Ų | 82 | 59% | 0.593 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -61 | -42.4 | 177.6 | -74.1 | 179.6 | -25 | 0 | 0 | 112.3 | N85 L86 G91 L92 E93 | N85-Q89 WeakPolarHBondContact O-CG 3.12Å; N85-Q89 PolarHBondContact O-N 3.02Å; L86-Q89 PolarHBondContact O-N 3.39Å; Q89-G91 VanDerWaalsContact C-N 3.34Å; Q89-G91 PolarHBondContact O-N 3.19Å; Q89-L92 PolarHBondContact O-N 3.28Å; Q89-E93 PolarHBondContact O-N 3.13Å |
| 90 | L | 92.2 | Very high | 90.3 | Very high | 92 Ų | 92 | 83.4 Ų | 83.4 | 48% | 0.482 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 175.1 | -72.4 | 173.7 | 0 | 0 | 0 | 111.5 | L86 A87 Y88 L92 E93 E94 | L86-L90 HydrophobicContact CD1-CD1 4.36Å; L86-L90 HydrophobicContact CD1-CG 4.31Å; L86-L90 HydrophobicContact CG-CD1 4.09Å; L86-L90 HydrophobicContact CG-CG 4.46Å; L86-L90 WeakPolarHBondContact O-CG 3.18Å; L86-L90 PolarHBondContact O-N 3.33Å; A87-L90 PolarHBondContact O-N 2.85Å; Y88-L90 VanDerWaalsContact C-N 3.34Å; Y88-L90 PolarHBondContact O-N 3.01Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 2.92Å; L90-E93 PolarHBondContact O-N 3.08Å; L90-E94 WeakPolarHBondContact O-CB 3.42Å; L90-E94 PolarHBondContact O-N 3.38Å |
| 91 | G | 87.3 | Confident | 89.9 | Confident | 21 Ų | 21 | 81 Ų | 81 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A87 Y88 Q89 S95 | A87-G91 PolarHBondContact O-N 3.32Å; Y88-G91 PolarHBondContact O-N 3.22Å; Q89-G91 VanDerWaalsContact C-N 3.34Å; Q89-G91 PolarHBondContact O-N 3.19Å; G91-S95 WeakPolarHBondContact O-CB 3.42Å; G91-S95 PolarHBondContact O-N 3.05Å |
| 92 | L | 87.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 174.2 | -66.6 | -179.1 | 0 | 0 | 0 | 112.2 | Y88 Q89 L90 R96 | Y88-L92 HydrophobicContact CD1-CD1 4.11Å; Y88-L92 HydrophobicContact CD1-CG 4.49Å; Y88-L92 HydrophobicContact CE1-CD1 3.5Å; Y88-L92 HydrophobicContact CE1-CG 4.08Å; Y88-L92 PolarHBondContact O-N 3.41Å; Y88-L92 VanDerWaalsContact O-N 3.07Å; Q89-L92 PolarHBondContact O-N 3.28Å; L90-L92 VanDerWaalsContact C-N 3.34Å; L90-L92 PolarHBondContact O-N 2.92Å; L92-R96 WeakPolarHBondContact O-CB 3.48Å; L92-R96 PolarHBondContact O-N 3.25Å; L92-R96 VanDerWaalsContact O-N 3.12Å |
| 93 | E | 91.7 | Very high | 89.1 | Confident | 93 Ų | 93 | 85.1 Ų | 85.1 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 176.4 | 170.2 | 153.4 | -97.9 | 0 | 0 | 111.8 | Q89 L90 S95 R96 E97 | Q89-E93 PolarHBondContact O-N 3.13Å; L90-E93 PolarHBondContact O-N 3.08Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.31Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 2.84Å; E93-R96 VanDerWaalsContact O-N 3.15Å; E93-R96 IonicContact OE1-CZ 3.01Å; E93-R96 IonicContact OE1-NH2 3.97Å; E93-R96 PolarHBondContact OE1-NH2 3.05Å; E93-E97 HydrophobicContact CG-CG 4.42Å; E93-E97 WeakPolarHBondContact O-CG 3.34Å; E93-E97 PolarHBondContact O-N 2.94Å |
| 94 | E | 88.1 | Confident | 88.8 | Confident | 81 Ų | 81 | 85.7 Ų | 85.7 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -56.6 | -47.7 | 177.1 | -178 | 179.1 | -145.4 | 0 | 0 | 111.2 | W28 L90 R96 E97 M98 | W28-E94 HydrophobicContact CZ2-CG 4.49Å; L90-E94 WeakPolarHBondContact O-CB 3.42Å; L90-E94 PolarHBondContact O-N 3.38Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 3.46Å; E94-E97 PolarHBondContact O-N 3.18Å; E94-M98 HydrophobicContact CG-CG 4.36Å; E94-M98 WeakPolarHBondContact O-CB 3.46Å; E94-M98 VanDerWaalsContact O-CG 3.23Å; E94-M98 WeakPolarHBondContact O-CG 3.35Å; E94-M98 PolarHBondContact O-N 3.32Å |
| 95 | S | 83.9 | Confident | 88.5 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.1 | -42.2 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | G91 E93 T99 | G91-S95 WeakPolarHBondContact O-CB 3.42Å; G91-S95 PolarHBondContact O-N 3.05Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.31Å; S95-T99 WeakPolarHBondContact O-CB 3.07Å; S95-T99 PolarHBondContact O-N 3.15Å; S95-T99 PolarHBondContact O-OG1 2.81Å |
| 96 | R | 88.4 | Confident | 88.1 | Confident | 116 Ų | 116 | 86 Ų | 86 | 44% | 0.438 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 177.5 | -178 | -173.6 | 66.3 | -120.3 | 2.9 | 111.2 | L92 E93 E94 M98 T99 R100 | L92-R96 WeakPolarHBondContact O-CB 3.48Å; L92-R96 PolarHBondContact O-N 3.25Å; L92-R96 VanDerWaalsContact O-N 3.12Å; E93-R96 WeakPolarHBondContact O-CB 3.42Å; E93-R96 PolarHBondContact O-N 2.84Å; E93-R96 VanDerWaalsContact O-N 3.15Å; E93-R96 IonicContact OE1-CZ 3.01Å; E93-R96 IonicContact OE1-NH2 3.97Å; E93-R96 PolarHBondContact OE1-NH2 3.05Å; E94-R96 VanDerWaalsContact C-N 3.31Å; E94-R96 PolarHBondContact O-N 3.46Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 PolarHBondContact O-N 3.12Å; R96-T99 WeakPolarHBondContact O-CB 3.43Å; R96-T99 PolarHBondContact O-N 2.93Å; R96-R100 WeakPolarHBondContact O-CG 3.36Å; R96-R100 PolarHBondContact O-N 2.82Å |
| 97 | E | 88.9 | Confident | 87.4 | Confident | 73 Ų | 73 | 83 Ų | 83 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66.8 | -36.7 | -179.5 | -63.8 | -46.7 | 127.8 | 0 | 0 | 111.9 | E93 E94 R100 G101 | E93-E97 HydrophobicContact CG-CG 4.42Å; E93-E97 WeakPolarHBondContact O-CG 3.34Å; E93-E97 PolarHBondContact O-N 2.94Å; E94-E97 PolarHBondContact O-N 3.18Å; E97-R100 WeakPolarHBondContact O-CB 3.1Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE1-NH1 3.08Å; E97-R100 PolarHBondContact OE1-NH1 3.25Å; E97-R100 WeakPolarHBondContact OE2-CD 3.42Å; E97-R100 IonicContact OE2-CZ 3.53Å; E97-R100 IonicContact OE2-NE 2.83Å; E97-R100 IonicContact OE2-NH1 2.83Å; E97-R100 PolarHBondContact OE2-NH1 3.04Å; E97-G101 PolarHBondContact O-N 2.84Å |
| 98 | M | 83.4 | Confident | 86.9 | Confident | 39 Ų | 39 | 86 Ų | 86 | 19% | 0.192 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 173.4 | -73 | -64.1 | -58.2 | 0 | 0 | 112.4 | W28 L32 V35 E94 R96 R100 G101 K102 L107 | W28-M98 HydrophobicContact CD2-CE 4.01Å; W28-M98 HydrophobicContact CD2-CG 4.46Å; W28-M98 HydrophobicContact CE3-CE 3.94Å; W28-M98 HydrophobicContact CH2-CE 3.42Å; W28-M98 VanDerWaalsContact CH2-CE 3.42Å; W28-M98 HydrophobicContact CH2-CG 4.38Å; W28-M98 HydrophobicContact CH2-SD 3.85Å; W28-M98 HydrophobicContact CZ2-CE 3.51Å; W28-M98 HydrophobicContact CZ2-CG 3.5Å; W28-M98 HydrophobicContact CZ2-SD 3.53Å; W28-M98 VanDerWaalsContact CZ2-SD 3.53Å; W28-M98 HydrophobicContact CZ3-CE 3.66Å; L32-M98 HydrophobicContact CD1-CE 4.16Å; V35-M98 HydrophobicContact CG2-CE 3.93Å; E94-M98 HydrophobicContact CG-CG 4.36Å; E94-M98 WeakPolarHBondContact O-CB 3.46Å; E94-M98 VanDerWaalsContact O-CG 3.23Å; E94-M98 WeakPolarHBondContact O-CG 3.35Å; E94-M98 PolarHBondContact O-N 3.32Å; R96-M98 VanDerWaalsContact C-N 3.34Å; R96-M98 PolarHBondContact O-N 3.12Å; M98-R100 VanDerWaalsContact C-N 3.35Å; M98-G101 PolarHBondContact O-N 2.79Å; M98-K102 PolarHBondContact O-N 2.89Å; M98-L107 HydrophobicContact CE-CD1 4.23Å |
| 99 | T | 86.7 | Confident | 86.1 | Confident | 66 Ų | 66 | 87.7 Ų | 87.7 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 173.5 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | S95 R96 G101 K102 F103 | S95-T99 WeakPolarHBondContact O-CB 3.07Å; S95-T99 PolarHBondContact O-N 3.15Å; S95-T99 PolarHBondContact O-OG1 2.81Å; R96-T99 WeakPolarHBondContact O-CB 3.43Å; R96-T99 PolarHBondContact O-N 2.93Å; T99-G101 VanDerWaalsContact C-N 3.35Å; T99-K102 WeakPolarHBondContact O-CB 3.46Å; T99-K102 PolarHBondContact O-N 2.81Å; T99-F103 HydrophobicContact CG2-CD2 3.95Å; T99-F103 HydrophobicContact CG2-CE2 3.52Å; T99-F103 WeakPolarHBondContact O-CD2 3.12Å; T99-F103 PolarHBondContact O-N 3.15Å |
| 100 | R | 90.1 | Very high | 85.2 | Confident | 137 Ų | 137 | 87.6 Ų | 87.6 | 52% | 0.517 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.1 | -68.6 | 171.2 | 71.6 | -175.6 | 5.4 | 111.3 | R96 E97 M98 K102 F103 L104 | R96-R100 WeakPolarHBondContact O-CG 3.36Å; R96-R100 PolarHBondContact O-N 2.82Å; E97-R100 WeakPolarHBondContact O-CB 3.1Å; E97-R100 PolarHBondContact O-N 2.79Å; E97-R100 IonicContact OE1-NH1 3.08Å; E97-R100 PolarHBondContact OE1-NH1 3.25Å; E97-R100 WeakPolarHBondContact OE2-CD 3.42Å; E97-R100 IonicContact OE2-CZ 3.53Å; E97-R100 IonicContact OE2-NE 2.83Å; E97-R100 IonicContact OE2-NH1 2.83Å; E97-R100 PolarHBondContact OE2-NH1 3.04Å; M98-R100 VanDerWaalsContact C-N 3.35Å; R100-K102 VanDerWaalsContact C-N 3.31Å; R100-K102 PolarHBondContact O-N 3.03Å; R100-F103 PolarHBondContact O-N 3.2Å; R100-L104 WeakPolarHBondContact O-CB 3.48Å; R100-L104 WeakPolarHBondContact O-CG 3.25Å; R100-L104 PolarHBondContact O-N 2.73Å |
| 101 | G | 87.4 | Confident | 84.2 | Confident | 5 Ų | 5 | 92.5 Ų | 92.5 | 5% | 0.052 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -57.1 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | E97 M98 T99 L104 N105 I106 | E97-G101 PolarHBondContact O-N 2.84Å; M98-G101 PolarHBondContact O-N 2.79Å; T99-G101 VanDerWaalsContact C-N 3.35Å; G101-L104 PolarHBondContact O-N 3.42Å; G101-N105 PolarHBondContact O-N 3.39Å; G101-N105 VanDerWaalsContact O-N 3.13Å; G101-I106 PolarHBondContact O-N 2.68Å |
| 102 | K | 84.5 | Confident | 82.8 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 36% | 0.357 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.4 | -52 | 173.5 | -173.1 | -168.9 | -167.2 | 167.6 | 0 | 111.3 | E30 L32 M98 T99 R100 L104 N105 | E30-K102 IonicContact OE2-NZ 3.46Å; E30-K102 PolarHBondContact OE2-NZ 3.42Å; L32-K102 HydrophobicContact CD1-CB 4.45Å; L32-K102 HydrophobicContact CD2-CB 4.45Å; L32-K102 HydrophobicContact CD2-CD 3.41Å; L32-K102 VanDerWaalsContact CD2-CD 3.41Å; L32-K102 HydrophobicContact CD2-CG 3.92Å; M98-K102 PolarHBondContact O-N 2.89Å; T99-K102 WeakPolarHBondContact O-CB 3.46Å; T99-K102 PolarHBondContact O-N 2.81Å; R100-K102 VanDerWaalsContact C-N 3.31Å; R100-K102 PolarHBondContact O-N 3.03Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.41Å; K102-N105 PolarHBondContact O-N 3.4Å; K102-N105 VanDerWaalsContact O-N 3.12Å; K102-N105 PolarHBondContact O-OD1 3.3Å |
| 103 | F | 87.6 | Confident | 82.6 | Confident | 161 Ų | 161 | 105.9 Ų | 105.9 | 71% | 0.706 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.8 | -25.3 | -178 | -71.3 | -63.4 | 0 | 0 | 0 | 114.3 | T99 R100 N105 | T99-F103 HydrophobicContact CG2-CD2 3.95Å; T99-F103 HydrophobicContact CG2-CE2 3.52Å; T99-F103 WeakPolarHBondContact O-CD2 3.12Å; T99-F103 PolarHBondContact O-N 3.15Å; R100-F103 PolarHBondContact O-N 3.2Å; F103-N105 VanDerWaalsContact C-N 3.26Å |
| 104 | L | 89.8 | Confident | 82.1 | Confident | 123 Ų | 123 | 106.6 Ų | 106.6 | 64% | 0.644 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -1.3 | 175.2 | -69.1 | 177.5 | 0 | 0 | 0 | 112.8 | R100 G101 K102 I106 | R100-L104 WeakPolarHBondContact O-CB 3.48Å; R100-L104 WeakPolarHBondContact O-CG 3.25Å; R100-L104 PolarHBondContact O-N 2.73Å; G101-L104 PolarHBondContact O-N 3.42Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.41Å; L104-I106 HydrophobicContact CB-CG2 3.69Å; L104-I106 PolarHBondContact O-N 2.97Å; L104-I106 VanDerWaalsContact O-N 3.08Å |
| 105 | N | 85.6 | Confident | 81.8 | Confident | 82 Ų | 82 | 108 Ų | 108 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 28.8 | -179.4 | -62.6 | -36.3 | 0 | 0 | 0 | 113.3 | G101 K102 F103 L107 E108 | G101-N105 PolarHBondContact O-N 3.39Å; G101-N105 VanDerWaalsContact O-N 3.13Å; K102-N105 PolarHBondContact O-N 3.4Å; K102-N105 VanDerWaalsContact O-N 3.12Å; K102-N105 PolarHBondContact O-OD1 3.3Å; F103-N105 VanDerWaalsContact C-N 3.26Å; N105-L107 PolarHBondContact O-N 2.72Å; N105-E108 HydrophobicContact CB-CB 4.03Å; N105-E108 HydrophobicContact CB-CG 3.7Å; N105-E108 WeakPolarHBondContact CB-OE2 3.28Å; N105-E108 VanDerWaalsContact CG-CD 3.41Å; N105-E108 VanDerWaalsContact CG-OE2 3.31Å; N105-E108 WeakPolarHBondContact O-CB 3.17Å; N105-E108 PolarHBondContact O-N 3.08Å; N105-E108 VanDerWaalsContact OD1-CD 3.31Å; N105-E108 PolarHBondContact OD1-OE1 3.31Å |
| 106 | I | 84.4 | Confident | 81.7 | Confident | 105 Ų | 105 | 110.9 Ų | 110.9 | 54% | 0.538 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.8 | -177.2 | 68.9 | 179.9 | 0 | 0 | 0 | 112.4 | G101 L104 | G101-I106 PolarHBondContact O-N 2.68Å; L104-I106 HydrophobicContact CB-CG2 3.69Å; L104-I106 PolarHBondContact O-N 2.97Å; L104-I106 VanDerWaalsContact O-N 3.08Å |
| 107 | L | 78.5 | Confident | 81.3 | Confident | 21 Ų | 21 | 110.6 Ų | 110.6 | 11% | 0.11 | 52% | 0.52 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -4.7 | 178.1 | -48.7 | -178.1 | 0 | 0 | 0 | 112.1 | V35 F38 M98 N105 | V35-L107 HydrophobicContact CG2-CD1 3.37Å; F38-L107 HydrophobicContact CB-CD2 4.07Å; F38-L107 HydrophobicContact CD1-CD2 3.54Å; F38-L107 HydrophobicContact CD2-CD2 3.52Å; F38-L107 HydrophobicContact CE1-CD2 3.62Å; F38-L107 HydrophobicContact CE2-CD2 3.61Å; F38-L107 HydrophobicContact CG-CD2 3.45Å; F38-L107 VanDerWaalsContact CG-CD2 3.45Å; F38-L107 HydrophobicContact CZ-CD2 3.61Å; M98-L107 HydrophobicContact CE-CD1 4.23Å; N105-L107 PolarHBondContact O-N 2.72Å |
| 108 | E | 78.6 | Confident | 80.7 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 54% | 0.542 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -73.9 | 137.5 | 175.6 | -71 | -163.8 | 149.3 | 0 | 0 | 110.4 | N105 | N105-E108 HydrophobicContact CB-CB 4.03Å; N105-E108 HydrophobicContact CB-CG 3.7Å; N105-E108 WeakPolarHBondContact CB-OE2 3.28Å; N105-E108 VanDerWaalsContact CG-CD 3.41Å; N105-E108 VanDerWaalsContact CG-OE2 3.31Å; N105-E108 WeakPolarHBondContact O-CB 3.17Å; N105-E108 PolarHBondContact O-N 3.08Å; N105-E108 VanDerWaalsContact OD1-CD 3.31Å; N105-E108 PolarHBondContact OD1-OE1 3.31Å |
| 109 | R | 70.6 | Confident | 80.5 | Confident | 161 Ų | 161 | 118.4 Ų | 118.4 | 61% | 0.608 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 145.3 | 174.8 | -69.3 | -169.8 | -69.6 | -139.1 | -7.8 | 110.7 | E37 K111 | E37-R109 IonicContact OE1-CZ 3.73Å; E37-R109 IonicContact OE1-NH1 3.32Å; E37-R109 PolarHBondContact OE1-NH1 3.24Å; E37-R109 IonicContact OE1-NH2 2.94Å; E37-R109 PolarHBondContact OE1-NH2 2.69Å; E37-R109 IonicContact OE2-CZ 3.14Å; E37-R109 VanDerWaalsContact OE2-CZ 3.32Å; E37-R109 IonicContact OE2-NH1 2.86Å; E37-R109 PolarHBondContact OE2-NH1 3.41Å; E37-R109 IonicContact OE2-NH2 2.69Å; E37-R109 PolarHBondContact OE2-NH2 2.87Å; E37-R109 VanDerWaalsContact OE2-NH2 3.08Å; R109-K111 PolarHBondContact O-N 3.5Å |
| 110 | P | 74.1 | Confident | 80.1 | Confident | 125 Ų | 125 | 122.5 Ų | 122.5 | 81% | 0.812 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.6 | 170.4 | 23.1 | -30.5 | 0 | 0 | 0 | 109.3 | K112 | P110-K112 PolarHBondContact O-N 2.86Š|
| 111 | K | 71.6 | Confident | 79.2 | Confident | 195 Ų | 195 | 121.3 Ų | 121.3 | 85% | 0.848 | 57% | 0.572 | S | S | * | * | trans | -69.1 | 115.1 | 173.6 | -64.5 | 178.9 | -176.6 | 173.6 | 0 | 107.2 | R109 | R109-K111 PolarHBondContact O-N 3.5Š| ||
| 112 | K | 58.3 | Low | 78.5 | Confident | 279 Ų | 279 | 131.8 Ų | 131.8 | 100% | 1.213 | 62% | 0.62 | S | S | * | * | trans | -65.6 | 0 | 172.6 | -110.5 | -176 | 179.4 | -178.4 | 0 | 110.9 | P110 | P110-K112 PolarHBondContact O-N 2.86Š|
Retrieved 112 of 112 residues in 41.9 ms
(Link to these results)