| 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 | 44.1 | Very low | 70.6 | Confident | 246 Ų | 246 | 111.5 Ų | 111.5 | 100% | 1.212 | 67% | 0.671 | S | S | * | * | 0 | 106.2 | 0 | -68.3 | 174.5 | 172.6 | 0 | 0 | 106.6 | |||||
| 2 | G | 59.4 | Low | 70.1 | Confident | 74 Ų | 74 | 113.6 Ų | 113.6 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | trans | -76.8 | 137.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V4 | G2-V4 PolarHBondContact O-N 3.24Š| ||
| 3 | S | 67.4 | Low | 70 | Confident | 108 Ų | 108 | 111.7 Ų | 111.7 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 120 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | F5 | S3-F5 PolarHBondContact O-N 3.5Å; S3-F5 PolarHBondContact OG-O 3.3Å | ||
| 4 | V | 76.7 | Confident | 69.6 | Low | 134 Ų | 134 | 111.2 Ų | 111.2 | 81% | 0.812 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -70.4 | -13 | 176.9 | 178.7 | 0 | 0 | 0 | 0 | 111.8 | G2 | G2-V4 PolarHBondContact O-N 3.24Š|
| 5 | F | 75.7 | Confident | 68.9 | Low | 172 Ų | 172 | 112.7 Ų | 112.7 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -108.5 | 137.7 | -179.7 | -62.2 | -75.5 | 0 | 0 | 0 | 111.8 | S3 | S3-F5 PolarHBondContact O-N 3.5Å; S3-F5 PolarHBondContact OG-O 3.3Å |
| 6 | L | 78.9 | Confident | 67.7 | Low | 116 Ų | 116 | 119.8 Ų | 119.8 | 61% | 0.607 | 68% | 0.677 | S | S | * | * | trans | -70.4 | 145.3 | 169.8 | -69.9 | 170.3 | 0 | 0 | 0 | 110.2 | A11 | L6-A11 HydrophobicContact CB-CB 4.4Š| ||
| 7 | P | 80 | Confident | 67 | Low | 84 Ų | 84 | 122.5 Ų | 122.5 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -56.6 | 145.6 | 171.3 | -20.2 | 30.4 | 0 | 0 | 0 | 111.1 | N9 S10 A11 | P7-N9 PolarHBondContact O-N 2.88Å; P7-N9 VanDerWaalsContact O-N 3.11Å; P7-S10 CarbonylContact O-C 3.38Å; P7-S10 WeakPolarHBondContact O-CA 3.42Å; P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 3.24Å; P7-A11 PolarHBondContact O-N 3.11Å | ||
| 8 | A | 73.1 | Confident | 66.3 | Low | 62 Ų | 62 | 124.2 Ų | 124.2 | 51% | 0.512 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -48.8 | -45.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | S10 A11 H12 | A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 2.85Å; A8-A11 PolarHBondContact O-N 3.16Å; A8-H12 WeakPolarHBondContact O-CB 3.5Å; A8-H12 PolarHBondContact O-CD2 3Å; A8-H12 PolarHBondContact O-N 2.64Å |
| 9 | N | 72.3 | Confident | 65.3 | Low | 144 Ų | 144 | 130.8 Ų | 130.8 | 77% | 0.77 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -61.6 | -35.9 | 179.1 | -58.5 | -17.1 | 0 | 0 | 0 | 112.6 | P7 | P7-N9 PolarHBondContact O-N 2.88Å; P7-N9 VanDerWaalsContact O-N 3.11Å |
| 10 | S | 74.3 | Confident | 64.9 | Low | 51 Ų | 51 | 126.8 Ų | 126.8 | 36% | 0.357 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -78 | -39.9 | 176.5 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | P7 A8 H12 S13 | P7-S10 CarbonylContact O-C 3.38Å; P7-S10 WeakPolarHBondContact O-CA 3.42Å; P7-S10 WeakPolarHBondContact O-CB 3.41Å; P7-S10 PolarHBondContact O-N 3.24Å; A8-S10 VanDerWaalsContact C-N 3.28Å; A8-S10 PolarHBondContact O-N 2.85Å; S10-H12 VanDerWaalsContact C-N 3.32Å; S10-H12 PolarHBondContact O-N 3.13Å; S10-S13 WeakPolarHBondContact O-CB 3.48Å; S10-S13 PolarHBondContact O-N 3.32Å; S10-S13 VanDerWaalsContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 3.42Å |
| 11 | A | 74.4 | Confident | 64.1 | Low | 35 Ų | 35 | 125.8 Ų | 125.8 | 29% | 0.289 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -61.6 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L6 P7 A8 S13 V14 L15 | L6-A11 HydrophobicContact CB-CB 4.4Å; P7-A11 PolarHBondContact O-N 3.11Å; A8-A11 PolarHBondContact O-N 3.16Å; A11-S13 PolarHBondContact O-N 2.92Å; A11-V14 PolarHBondContact O-N 2.81Å; A11-V14 VanDerWaalsContact O-N 3.16Å; A11-L15 PolarHBondContact O-N 3.08Å; A11-L15 VanDerWaalsContact O-N 3.08Å |
| 12 | H | 65.3 | Low | 64.7 | Low | 137 Ų | 137 | 116.4 Ų | 116.4 | 63% | 0.634 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.7 | -22.6 | 175.3 | -77.6 | -60.5 | 0 | 0 | 0 | 113.9 | A8 S10 | A8-H12 WeakPolarHBondContact O-CB 3.5Å; A8-H12 PolarHBondContact O-CD2 3Å; A8-H12 PolarHBondContact O-N 2.64Å; S10-H12 VanDerWaalsContact C-N 3.32Å; S10-H12 PolarHBondContact O-N 3.13Å |
| 13 | S | 68.8 | Low | 64.6 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 62% | 0.622 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77.5 | -23.8 | 174.4 | 74.4 | 0 | 0 | 0 | 0 | 113.4 | S10 A11 | S10-S13 WeakPolarHBondContact O-CB 3.48Å; S10-S13 PolarHBondContact O-N 3.32Å; S10-S13 VanDerWaalsContact O-N 3.13Å; S10-S13 PolarHBondContact O-OG 3.42Å; A11-S13 PolarHBondContact O-N 2.92Å |
| 14 | V | 64.3 | Low | 64.2 | Low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.636 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -89.3 | -42.2 | 179.4 | -177 | 0 | 0 | 0 | 0 | 110.9 | A11 R16 | A11-V14 PolarHBondContact O-N 2.81Å; A11-V14 VanDerWaalsContact O-N 3.16Å; V14-R16 VanDerWaalsContact C-N 3.34Å; V14-R16 PolarHBondContact O-N 3.23Å |
| 15 | L | 58.8 | Low | 63.7 | Low | 134 Ų | 134 | 122.5 Ų | 122.5 | 70% | 0.702 | 63% | 0.627 | S | S | * | * | trans | -92.7 | 64.4 | 175.9 | -62.9 | 178.6 | 0 | 0 | 0 | 110.9 | A11 R17 | A11-L15 PolarHBondContact O-N 3.08Å; A11-L15 VanDerWaalsContact O-N 3.08Å; L15-R17 PolarHBondContact O-N 3.32Å | ||
| 16 | R | 49.5 | Very low | 63.4 | Low | 226 Ų | 226 | 117.1 Ų | 117.1 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | trans | -75.1 | 56.8 | 172 | -155.9 | 176.8 | 172 | -165.1 | -4 | 110.2 | V14 L18 | V14-R16 VanDerWaalsContact C-N 3.34Å; V14-R16 PolarHBondContact O-N 3.23Å; R16-L18 PolarHBondContact O-N 2.95Å; R16-L18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | R | 55.5 | Low | 63.1 | Low | 166 Ų | 166 | 118.2 Ų | 118.2 | 63% | 0.626 | 61% | 0.606 | S | S | * | * | trans | -72.5 | 103.1 | 173.5 | -163.4 | -179.5 | -82.6 | -154.2 | -3.8 | 106.1 | L15 R19 | L15-R17 PolarHBondContact O-N 3.32Å; R17-R19 PolarHBondContact O-N 3.27Å | ||
| 18 | L | 55.7 | Low | 62.8 | Low | 153 Ų | 153 | 121.9 Ų | 121.9 | 80% | 0.801 | 62% | 0.618 | S | S | * | * | trans | -49.5 | 130.9 | 169.9 | -79.3 | 148.2 | 0 | 0 | 0 | 107.6 | R16 R20 | R16-L18 PolarHBondContact O-N 2.95Å; R16-L18 VanDerWaalsContact O-N 3.11Å; L18-R20 PolarHBondContact O-N 3.13Å | ||
| 19 | R | 47.3 | Very low | 62.9 | Low | 249 Ų | 249 | 124.4 Ų | 124.4 | 94% | 0.94 | 62% | 0.618 | S | S | * | * | trans | -58.7 | 105.7 | 177.5 | -170.8 | -174.4 | -92.1 | 169.5 | -8.5 | 106.6 | R17 | R17-R19 PolarHBondContact O-N 3.27Š| ||
| 20 | R | 57.1 | Low | 63.4 | Low | 50 Ų | 50 | 124.7 Ų | 124.7 | 19% | 0.189 | 62% | 0.618 | C | S | . | * | trans | -62.2 | 136.1 | 176.5 | -69.5 | 178.4 | -178.9 | 131.6 | 8.6 | 107.6 | L18 N22 E46 | L18-R20 PolarHBondContact O-N 3.13Å; R20-N22 VanDerWaalsContact CB-ND2 3.27Å; R20-N22 WeakPolarHBondContact CB-ND2 3.16Å; R20-N22 PolarHBondContact O-N 3.05Å; R20-E46 WeakPolarHBondContact CD-OE1 3.39Å; R20-E46 IonicContact NE-OE1 2.69Å | ||
| 21 | A | 48.8 | Very low | 63.8 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 88% | 0.884 | 61% | 0.614 | S | S | * | * | trans | -75.1 | 73.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 22 | N | 54.8 | Low | 64.5 | Low | 49 Ų | 49 | 125.1 Ų | 125.1 | 26% | 0.262 | 62% | 0.618 | S | S | . | * | trans | -102.2 | 131.7 | -176.5 | -66.8 | -16.5 | 0 | 0 | 0 | 109.5 | R20 L24 E26 E27 | R20-N22 VanDerWaalsContact CB-ND2 3.27Å; R20-N22 WeakPolarHBondContact CB-ND2 3.16Å; R20-N22 PolarHBondContact O-N 3.05Å; N22-L24 PolarHBondContact O-N 3.3Å; N22-L24 VanDerWaalsContact O-N 3.15Å; N22-E26 WeakPolarHBondContact CA-OE2 3.45Å; N22-E26 HydrophobicContact CB-CB 4.4Å; N22-E27 WeakPolarHBondContact ND2-CG 3.35Å; N22-E27 PolarHBondContact ND2-OE1 2.84Å | ||
| 23 | F | 58.9 | Low | 65.7 | Low | 165 Ų | 165 | 120.5 Ų | 120.5 | 72% | 0.724 | 60% | 0.597 | S | S | * | * | trans | -75.1 | 103.1 | 170.3 | 179.6 | -97.1 | 0 | 0 | 0 | 109.1 | L25 E26 | F23-L25 PolarHBondContact O-N 2.69Å; F23-E26 PolarHBondContact N-OE2 3.11Å; F23-E26 WeakPolarHBondContact O-CB 3.5Å; F23-E26 PolarHBondContact O-N 3.14Å | ||
| 24 | L | 58.1 | Low | 66.7 | Low | 156 Ų | 156 | 121 Ų | 121 | 82% | 0.817 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 41 | -43.9 | 164.3 | -77.8 | 161.6 | 0 | 0 | 0 | 120.8 | N22 | N22-L24 PolarHBondContact O-N 3.3Å; N22-L24 VanDerWaalsContact O-N 3.15Å |
| 25 | L | 65.6 | Low | 67.9 | Low | 123 Ų | 123 | 117.9 Ų | 117.9 | 64% | 0.644 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.5 | 7.3 | -178.2 | -64 | 175.7 | 0 | 0 | 0 | 113.9 | F23 E27 M28 | F23-L25 PolarHBondContact O-N 2.69Å; L25-E27 PolarHBondContact O-N 2.83Å; L25-M28 HydrophobicContact CD2-SD 4.06Å; L25-M28 WeakPolarHBondContact O-CB 3.49Å; L25-M28 PolarHBondContact O-N 3.25Å |
| 26 | E | 70.8 | Confident | 69.4 | Low | 58 Ų | 58 | 112.3 Ų | 112.3 | 27% | 0.271 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -56.7 | -32.6 | -176.4 | -175.7 | 158.8 | -142.2 | 0 | 0 | 113.9 | N22 F23 M28 K29 | N22-E26 WeakPolarHBondContact CA-OE2 3.45Å; N22-E26 HydrophobicContact CB-CB 4.4Å; F23-E26 PolarHBondContact N-OE2 3.11Å; F23-E26 WeakPolarHBondContact O-CB 3.5Å; F23-E26 PolarHBondContact O-N 3.14Å; E26-M28 PolarHBondContact O-N 3.49Å; E26-M28 VanDerWaalsContact O-N 3.15Å; E26-K29 VanDerWaalsContact O-CB 3.25Å; E26-K29 WeakPolarHBondContact O-CB 3.48Å; E26-K29 PolarHBondContact O-N 2.95Å |
| 27 | E | 72.7 | Confident | 71.3 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 65% | 0.65 | 50% | 0.497 | S | S | * | . | G | 310 helix | trans | -66.6 | -12.2 | 176 | -62.7 | -173.6 | 179 | 0 | 0 | 114.1 | N22 L25 | N22-E27 WeakPolarHBondContact ND2-CG 3.35Å; N22-E27 PolarHBondContact ND2-OE1 2.84Å; L25-E27 PolarHBondContact O-N 2.83Å |
| 28 | M | 72.3 | Confident | 72.8 | Confident | 161 Ų | 161 | 100 Ų | 100 | 79% | 0.793 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -86.6 | -9.9 | 172.5 | -63.2 | -174.6 | 66.4 | 0 | 0 | 112.8 | L25 E26 | L25-M28 HydrophobicContact CD2-SD 4.06Å; L25-M28 WeakPolarHBondContact O-CB 3.49Å; L25-M28 PolarHBondContact O-N 3.25Å; E26-M28 PolarHBondContact O-N 3.49Å; E26-M28 VanDerWaalsContact O-N 3.15Å |
| 29 | K | 75.7 | Confident | 74.3 | Confident | 116 Ų | 116 | 99 Ų | 99 | 50% | 0.504 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -83 | 148.1 | -178.4 | -162.9 | 171.9 | -177.5 | -176.5 | 0 | 109.8 | E26 G31 R35 | E26-K29 VanDerWaalsContact O-CB 3.25Å; E26-K29 WeakPolarHBondContact O-CB 3.48Å; E26-K29 PolarHBondContact O-N 2.95Å; K29-G31 PolarHBondContact O-N 3.48Å; K29-R35 VanDerWaalsContact CE-NE 3.35Å |
| 30 | L | 82.5 | Confident | 76.2 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 78% | 0.78 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 131.6 | 174.1 | -159 | 76.9 | 0 | 0 | 0 | 110 | N32 R35 | L30-N32 PolarHBondContact O-N 3.47Å; L30-R35 PolarHBondContact O-NH2 3.07Å |
| 31 | G | 84.1 | Confident | 77.5 | Confident | 26 Ų | 26 | 95.3 Ų | 95.3 | 27% | 0.268 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 127.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K29 E36 | K29-G31 PolarHBondContact O-N 3.48Å; G31-E36 WeakPolarHBondContact CA-OE1 3.27Å |
| 32 | N | 88.6 | Confident | 79.4 | Confident | 69 Ų | 69 | 90.5 Ų | 90.5 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | trans | -139.7 | 115.7 | 178.6 | -176.6 | -44.7 | 0 | 0 | 0 | 110.9 | L30 Q34 R35 E36 | L30-N32 PolarHBondContact O-N 3.47Å; N32-Q34 VanDerWaalsContact C-N 3.29Å; N32-Q34 PolarHBondContact O-N 2.95Å; N32-Q34 VanDerWaalsContact OD1-CB 3.31Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.36Å; N32-Q34 PolarHBondContact OD1-N 3.04Å; N32-R35 HydrophobicContact CB-CB 4.3Å; N32-R35 PolarHBondContact O-N 3.27Å; N32-R35 PolarHBondContact OD1-N 3.33Å; N32-E36 PolarHBondContact N-OE1 2.94Å; N32-E36 WeakPolarHBondContact O-CB 3.42Å; N32-E36 PolarHBondContact O-N 3.03Å | ||
| 33 | I | 90.3 | Very high | 81 | Confident | 40 Ų | 40 | 90.7 Ų | 90.7 | 21% | 0.205 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.4 | -30.2 | -174.5 | -153.7 | 73.9 | 0 | 0 | 0 | 114.2 | C37 R38 A47 A50 F51 F60 | I33-C37 HydrophobicContact CD1-CB 3.92Å; I33-C37 WeakPolarHBondContact CD1-SG 3.39Å; I33-C37 HydrophobicContact CG1-CB 4.12Å; I33-C37 CarbonylContact O-C 3.52Å; I33-C37 WeakPolarHBondContact O-CA 3.4Å; I33-C37 WeakPolarHBondContact O-CB 3.16Å; I33-C37 PolarHBondContact O-N 3.29Å; I33-C37 VanDerWaalsContact O-N 3.1Å; I33-R38 PolarHBondContact O-N 3.43Å; I33-A47 HydrophobicContact CD1-CB 4.14Å; I33-A50 HydrophobicContact CB-CB 4.28Å; I33-A50 HydrophobicContact CD1-CB 4.05Å; I33-F51 HydrophobicContact CB-CE2 4.46Å; I33-F51 HydrophobicContact CB-CZ 4.22Å; I33-F51 HydrophobicContact CD1-CD2 3.91Å; I33-F51 HydrophobicContact CD1-CE2 3.28Å; I33-F51 HydrophobicContact CD1-CZ 3.84Å; I33-F51 HydrophobicContact CG1-CE2 3.63Å; I33-F51 HydrophobicContact CG1-CZ 3.63Å; I33-F51 HydrophobicContact CG2-CZ 4.36Å; I33-F60 HydrophobicContact CD1-CD1 4.17Å; I33-F60 HydrophobicContact CD1-CE1 3.72Å; I33-F60 HydrophobicContact CD1-CE2 4.03Å; I33-F60 HydrophobicContact CD1-CZ 3.64Å; I33-F60 HydrophobicContact CG1-CD2 4.19Å; I33-F60 HydrophobicContact CG1-CE1 4.13Å; I33-F60 HydrophobicContact CG1-CE2 3.52Å; I33-F60 HydrophobicContact CG1-CZ 3.52Å |
| 34 | Q | 89.8 | Confident | 82.5 | Confident | 101 Ų | 101 | 87 Ų | 87 | 47% | 0.472 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.6 | -47.5 | 178.4 | 177.8 | 63.6 | 21.7 | 0 | 0 | 110 | N32 R38 E39 | N32-Q34 VanDerWaalsContact C-N 3.29Å; N32-Q34 PolarHBondContact O-N 2.95Å; N32-Q34 VanDerWaalsContact OD1-CB 3.31Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.36Å; N32-Q34 PolarHBondContact OD1-N 3.04Å; Q34-R38 WeakPolarHBondContact O-CA 3.33Å; Q34-R38 VanDerWaalsContact O-CB 3.24Å; Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 PolarHBondContact O-N 2.84Å; Q34-E39 PolarHBondContact NE2-OE1 3.3Å; Q34-E39 WeakPolarHBondContact O-CG 3.27Å; Q34-E39 PolarHBondContact O-N 3.22Å |
| 35 | R | 89.6 | Confident | 84 | Confident | 38 Ų | 38 | 81.7 Ų | 81.7 | 14% | 0.143 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -70.6 | -54.7 | 179.5 | -179 | 179 | 13.9 | 90.5 | 0.3 | 111.5 | K29 L30 N32 E39 E40 | K29-R35 VanDerWaalsContact CE-NE 3.35Å; L30-R35 PolarHBondContact O-NH2 3.07Å; N32-R35 HydrophobicContact CB-CB 4.3Å; N32-R35 PolarHBondContact O-N 3.27Å; N32-R35 PolarHBondContact OD1-N 3.33Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å; R35-E40 WeakPolarHBondContact O-CB 3.46Å; R35-E40 WeakPolarHBondContact O-CG 2.97Å; R35-E40 PolarHBondContact O-N 2.78Å |
| 36 | E | 89.2 | Confident | 85.2 | Confident | 17 Ų | 17 | 77.1 Ų | 77.1 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | I | π-helix | trans | -75.3 | -37.9 | -169.1 | -72.3 | 157 | -145.3 | 0 | 0 | 112.3 | G31 N32 E40 C42 | G31-E36 WeakPolarHBondContact CA-OE1 3.27Å; N32-E36 PolarHBondContact N-OE1 2.94Å; N32-E36 WeakPolarHBondContact O-CB 3.42Å; N32-E36 PolarHBondContact O-N 3.03Å; E36-E40 CarbonylContact O-C 3.58Å; E36-E40 WeakPolarHBondContact O-CB 3.5Å; E36-C42 HydrophobicContact CB-CB 4.35Å; E36-C42 VanDerWaalsContact O-CB 3.27Å; E36-C42 WeakPolarHBondContact O-CB 3.19Å; E36-C42 PolarHBondContact O-N 3Å |
| 37 | C | 89.7 | Confident | 86.2 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | I | π-helix | trans | -115.8 | -9.8 | -171.5 | -60.1 | 0 | 0 | 0 | 0 | 115.4 | I33 E40 C42 F60 Y64 | I33-C37 HydrophobicContact CD1-CB 3.92Å; I33-C37 WeakPolarHBondContact CD1-SG 3.39Å; I33-C37 HydrophobicContact CG1-CB 4.12Å; I33-C37 CarbonylContact O-C 3.52Å; I33-C37 WeakPolarHBondContact O-CA 3.4Å; I33-C37 WeakPolarHBondContact O-CB 3.16Å; I33-C37 PolarHBondContact O-N 3.29Å; I33-C37 VanDerWaalsContact O-N 3.1Å; C37-E40 CarbonylContact C-O 3.59Å; C37-E40 WeakPolarHBondContact CA-O 2.99Å; C37-C42 VanDerWaalsContact CA-SG 3.55Å; C37-C42 HydrophobicContact CB-CB 3.94Å; C37-C42 WeakPolarHBondContact CB-SG 3.27Å; C37-C42 WeakPolarHBondContact SG-CB 3.4Å; C37-C42 CovalentContact SG-SG 2.02Å; C37-C42 PolarHBondContact SG-SG 3.37Å; C37-F60 HydrophobicContact CB-CE1 3.89Å; C37-F60 HydrophobicContact CB-CZ 3.55Å; C37-Y64 WeakPolarHBondContact O-CE2 3.37Å |
| 38 | R | 88.1 | Confident | 87.2 | Confident | 132 Ų | 132 | 71.6 Ų | 71.6 | 50% | 0.498 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -107.7 | -43.3 | 175 | -61.3 | -76.3 | -170.4 | -116.8 | 5.4 | 111.7 | I33 Q34 | I33-R38 PolarHBondContact O-N 3.43Å; Q34-R38 WeakPolarHBondContact O-CA 3.33Å; Q34-R38 VanDerWaalsContact O-CB 3.24Å; Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 PolarHBondContact O-N 2.84Å |
| 39 | E | 87.6 | Confident | 88.1 | Confident | 132 Ų | 132 | 68.3 Ų | 68.3 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | I | π-helix | trans | -84.7 | -34.6 | 176 | -66.7 | 164.8 | -161.9 | 0 | 0 | 111.2 | Q34 R35 | Q34-E39 PolarHBondContact NE2-OE1 3.3Å; Q34-E39 WeakPolarHBondContact O-CG 3.27Å; Q34-E39 PolarHBondContact O-N 3.22Å; R35-E39 WeakPolarHBondContact O-CB 3.47Å |
| 40 | E | 86.3 | Confident | 88.7 | Confident | 89 Ų | 89 | 64 Ų | 64 | 42% | 0.416 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -116.9 | 171.9 | 179.9 | -62.7 | 166.8 | -167 | 0 | 0 | 112 | R35 E36 C37 | R35-E40 WeakPolarHBondContact O-CB 3.46Å; R35-E40 WeakPolarHBondContact O-CG 2.97Å; R35-E40 PolarHBondContact O-N 2.78Å; E36-E40 CarbonylContact O-C 3.58Å; E36-E40 WeakPolarHBondContact O-CB 3.5Å; C37-E40 CarbonylContact C-O 3.59Å; C37-E40 WeakPolarHBondContact CA-O 2.99Å |
| 41 | V | 84.9 | Confident | 89.1 | Confident | 132 Ų | 132 | 60 Ų | 60 | 80% | 0.8 | 29% | 0.293 | S | S | * | . | trans | -94.4 | 113.6 | 173.9 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | Y64 | V41-Y64 WeakPolarHBondContact CA-OH 3.49Š| ||
| 42 | C | 88.1 | Confident | 89.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.047 | 32% | 0.319 | C | S | . | . | trans | -102.6 | 157.6 | -177.5 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | E36 C37 E46 Y64 | E36-C42 HydrophobicContact CB-CB 4.35Å; E36-C42 VanDerWaalsContact O-CB 3.27Å; E36-C42 WeakPolarHBondContact O-CB 3.19Å; E36-C42 PolarHBondContact O-N 3Å; C37-C42 VanDerWaalsContact CA-SG 3.55Å; C37-C42 HydrophobicContact CB-CB 3.94Å; C37-C42 WeakPolarHBondContact CB-SG 3.27Å; C37-C42 WeakPolarHBondContact SG-CB 3.4Å; C37-C42 CovalentContact SG-SG 2.02Å; C37-C42 PolarHBondContact SG-SG 3.37Å; C42-E46 WeakPolarHBondContact CA-OE2 3.23Å; C42-E46 HydrophobicContact CB-CB 4.08Å; C42-E46 WeakPolarHBondContact CB-OE2 3.47Å; C42-Y64 PolarHBondContact N-OH 3.48Å | ||
| 43 | T | 89.1 | Confident | 89.6 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 32% | 0.319 | 32% | 0.318 | S | S | . | . | trans | -84.8 | 159.3 | 167.2 | 69.9 | 0 | 0 | 0 | 0 | 111.7 | E45 E46 A47 | T43-E45 PolarHBondContact O-N 3.31Å; T43-E45 VanDerWaalsContact O-N 3.14Å; T43-E46 PolarHBondContact N-OE2 3.34Å; T43-E46 PolarHBondContact O-N 2.83Å; T43-E46 VanDerWaalsContact O-N 3.1Å; T43-E46 PolarHBondContact OG1-OE1 2.91Å; T43-A47 PolarHBondContact O-N 3.43Å; T43-A47 VanDerWaalsContact O-N 3.14Å | ||
| 44 | Y | 90.2 | Very high | 89.7 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.2 | -34 | 177.2 | -179.8 | -97.7 | 0 | 0 | 0 | 112.4 | A47 R48 T57 W61 | Y44-A47 PolarHBondContact O-N 3.38Å; Y44-R48 WeakPolarHBondContact O-CB 3.43Å; Y44-R48 PolarHBondContact O-N 2.98Å; Y44-T57 HydrophobicContact CD2-CG2 4.2Å; Y44-T57 HydrophobicContact CE2-CG2 3.73Å; Y44-W61 VanDerWaalsContact CA-CZ3 3.49Å; Y44-W61 HydrophobicContact CD2-CB 3.98Å; Y44-W61 AromaticContact CD2-CD1 3.81Å; Y44-W61 AromaticContact CD2-CD2 3.55Å; Y44-W61 HydrophobicContact CD2-CD2 3.55Å; Y44-W61 AromaticContact CD2-CE2 3.89Å; Y44-W61 HydrophobicContact CD2-CE3 4.02Å; Y44-W61 AromaticContact CD2-CG 3.51Å; Y44-W61 HydrophobicContact CD2-CG 3.51Å; Y44-W61 HydrophobicContact CE2-CB 4.01Å; Y44-W61 HydrophobicContact CE2-CD2 4.44Å; Y44-W61 AromaticContact CE2-CG 3.96Å; Y44-W61 HydrophobicContact CE2-CG 3.96Å; Y44-W61 HydrophobicContact CG-CD2 4.38Å; Y44-W61 VanDerWaalsContact N-CZ3 3.34Å |
| 45 | E | 89.6 | Confident | 89.8 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 179.3 | -171.4 | 75.5 | 160.7 | 0 | 0 | 112.3 | T43 A47 R48 E49 | T43-E45 PolarHBondContact O-N 3.31Å; T43-E45 VanDerWaalsContact O-N 3.14Å; E45-A47 VanDerWaalsContact C-N 3.32Å; E45-A47 PolarHBondContact O-N 3.34Å; E45-R48 VanDerWaalsContact CD-NH2 3.28Å; E45-R48 CarbonylContact O-C 3.59Å; E45-R48 WeakPolarHBondContact O-CA 3.01Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.13Å; E45-R48 IonicContact OE1-CZ 3.92Å; E45-R48 IonicContact OE1-NE 3.37Å; E45-R48 IonicContact OE1-NH2 3.37Å; E45-R48 PolarHBondContact OE1-NH2 2.88Å; E45-R48 IonicContact OE2-CZ 2.58Å; E45-R48 IonicContact OE2-NE 3.71Å; E45-R48 PolarHBondContact OE2-NE 2.86Å; E45-R48 IonicContact OE2-NH2 2.63Å; E45-E49 WeakPolarHBondContact O-CG 3.45Å; E45-E49 PolarHBondContact O-N 2.77Å |
| 46 | E | 89.6 | Confident | 89.9 | Confident | 27 Ų | 27 | 75.7 Ų | 75.7 | 13% | 0.126 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.1 | -74.4 | 143.3 | -140.9 | 0 | 0 | 110.6 | R20 C42 T43 R48 E49 A50 | R20-E46 WeakPolarHBondContact CD-OE1 3.39Å; R20-E46 IonicContact NE-OE1 2.69Å; C42-E46 WeakPolarHBondContact CA-OE2 3.23Å; C42-E46 HydrophobicContact CB-CB 4.08Å; C42-E46 WeakPolarHBondContact CB-OE2 3.47Å; T43-E46 PolarHBondContact N-OE2 3.34Å; T43-E46 PolarHBondContact O-N 2.83Å; T43-E46 VanDerWaalsContact O-N 3.1Å; T43-E46 PolarHBondContact OG1-OE1 2.91Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.1Å; E46-E49 PolarHBondContact O-N 2.73Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 2.85Å |
| 47 | A | 91.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -33.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I33 T43 Y44 E45 F51 T57 F60 W61 | I33-A47 HydrophobicContact CD1-CB 4.14Å; T43-A47 PolarHBondContact O-N 3.43Å; T43-A47 VanDerWaalsContact O-N 3.14Å; Y44-A47 PolarHBondContact O-N 3.38Å; E45-A47 VanDerWaalsContact C-N 3.32Å; E45-A47 PolarHBondContact O-N 3.34Å; A47-F51 WeakPolarHBondContact O-CD2 3.4Å; A47-F51 PolarHBondContact O-N 3.14Å; A47-T57 HydrophobicContact CB-CG2 3.92Å; A47-T57 PolarHBondContact O-OG1 2.58Å; A47-F60 HydrophobicContact CB-CD1 4.23Å; A47-F60 HydrophobicContact CB-CE1 4.24Å; A47-W61 HydrophobicContact CB-CE3 4.33Å |
| 48 | R | 93.8 | Very high | 90.3 | Very high | 81 Ų | 81 | 80.6 Ų | 80.6 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -69.2 | -42.2 | 175.1 | -166.3 | -173.2 | 65.7 | 72.8 | 7.2 | 111.8 | Y44 E45 E46 F51 E52 T57 | Y44-R48 WeakPolarHBondContact O-CB 3.43Å; Y44-R48 PolarHBondContact O-N 2.98Å; E45-R48 VanDerWaalsContact CD-NH2 3.28Å; E45-R48 CarbonylContact O-C 3.59Å; E45-R48 WeakPolarHBondContact O-CA 3.01Å; E45-R48 WeakPolarHBondContact O-CB 3.46Å; E45-R48 PolarHBondContact O-N 3.13Å; E45-R48 IonicContact OE1-CZ 3.92Å; E45-R48 IonicContact OE1-NE 3.37Å; E45-R48 IonicContact OE1-NH2 3.37Å; E45-R48 PolarHBondContact OE1-NH2 2.88Å; E45-R48 IonicContact OE2-CZ 2.58Å; E45-R48 IonicContact OE2-NE 3.71Å; E45-R48 PolarHBondContact OE2-NE 2.86Å; E45-R48 IonicContact OE2-NH2 2.63Å; E46-R48 VanDerWaalsContact C-N 3.27Å; E46-R48 PolarHBondContact O-N 3.1Å; R48-F51 PolarHBondContact O-N 2.02Å; R48-E52 WeakPolarHBondContact O-CA 3.48Å; R48-E52 PolarHBondContact O-N 3.3Å; R48-T57 WeakPolarHBondContact CA-OG1 3.38Å; R48-T57 HydrophobicContact CB-CG2 4.08Å |
| 49 | E | 90.8 | Very high | 90.5 | Very high | 92 Ų | 92 | 82.9 Ų | 82.9 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 176.8 | -72 | 172.4 | -168.7 | 0 | 0 | 111.5 | E45 E46 | E45-E49 WeakPolarHBondContact O-CG 3.45Å; E45-E49 PolarHBondContact O-N 2.77Å; E46-E49 PolarHBondContact O-N 2.73Å |
| 50 | A | 90.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 77.6 Ų | 77.6 | 22% | 0.223 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -72 | -30.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I33 E46 | I33-A50 HydrophobicContact CB-CB 4.28Å; I33-A50 HydrophobicContact CD1-CB 4.05Å; E46-A50 WeakPolarHBondContact O-CB 3.37Å; E46-A50 PolarHBondContact O-N 2.85Å |
| 51 | F | 90.8 | Very high | 91.2 | Very high | 63 Ų | 63 | 76.6 Ų | 76.6 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -98 | -18.3 | -179.7 | -75.5 | -63.3 | 0 | 0 | 0 | 114.3 | I33 A47 R48 N53 K56 T57 F60 | I33-F51 HydrophobicContact CB-CE2 4.46Å; I33-F51 HydrophobicContact CB-CZ 4.22Å; I33-F51 HydrophobicContact CD1-CD2 3.91Å; I33-F51 HydrophobicContact CD1-CE2 3.28Å; I33-F51 HydrophobicContact CD1-CZ 3.84Å; I33-F51 HydrophobicContact CG1-CE2 3.63Å; I33-F51 HydrophobicContact CG1-CZ 3.63Å; I33-F51 HydrophobicContact CG2-CZ 4.36Å; A47-F51 WeakPolarHBondContact O-CD2 3.4Å; A47-F51 PolarHBondContact O-N 3.14Å; R48-F51 PolarHBondContact O-N 2.02Å; F51-N53 PolarHBondContact O-N 3.43Å; F51-K56 HydrophobicContact CB-CB 4.32Å; F51-K56 HydrophobicContact CD1-CB 4.33Å; F51-K56 HydrophobicContact CG-CB 4.29Å; F51-T57 WeakPolarHBondContact CB-OG1 3.48Å; F51-F60 HydrophobicContact CD2-CB 4.48Å; F51-F60 HydrophobicContact CE2-CB 3.64Å; F51-F60 AromaticContact CE2-CD1 3.88Å; F51-F60 HydrophobicContact CE2-CD1 3.88Å; F51-F60 AromaticContact CE2-CD2 3.74Å; F51-F60 HydrophobicContact CE2-CD2 3.74Å; F51-F60 HydrophobicContact CE2-CE2 4.34Å; F51-F60 AromaticContact CE2-CG 3.47Å; F51-F60 HydrophobicContact CE2-CG 3.47Å; F51-F60 VanDerWaalsContact CE2-CG 3.47Å; F51-F60 HydrophobicContact CZ-CB 4.09Å; F51-F60 AromaticContact CZ-CD2 3.74Å; F51-F60 HydrophobicContact CZ-CD2 3.74Å; F51-F60 HydrophobicContact CZ-CE2 4.33Å; F51-F60 AromaticContact CZ-CG 3.93Å; F51-F60 HydrophobicContact CZ-CG 3.93Å |
| 52 | E | 90.4 | Very high | 91.5 | Very high | 173 Ų | 173 | 75.7 Ų | 75.7 | 81% | 0.808 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 50.6 | 18.4 | -173 | -60.2 | -177 | 176.7 | 0 | 0 | 114.1 | R48 | R48-E52 WeakPolarHBondContact O-CA 3.48Å; R48-E52 PolarHBondContact O-N 3.3Å |
| 53 | N | 91.9 | Very high | 91.6 | Very high | 66 Ų | 66 | 79.1 Ų | 79.1 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | trans | -148.7 | 117.5 | -172.3 | -175.7 | -67.6 | 0 | 0 | 0 | 111.6 | F51 E55 K56 T57 | F51-N53 PolarHBondContact O-N 3.43Å; N53-E55 VanDerWaalsContact C-N 3.35Å; N53-E55 PolarHBondContact O-N 3.29Å; N53-E55 WeakPolarHBondContact OD1-CB 3.25Å; N53-E55 PolarHBondContact OD1-N 2.89Å; N53-K56 HydrophobicContact CB-CB 4.31Å; N53-K56 HydrophobicContact CB-CD 4.32Å; N53-K56 HydrophobicContact CB-CG 4.38Å; N53-K56 PolarHBondContact O-N 2.65Å; N53-K56 PolarHBondContact OD1-N 3.47Å; N53-K56 VanDerWaalsContact OD1-N 3.13Å; N53-T57 PolarHBondContact O-N 2.83Å; N53-T57 PolarHBondContact O-OG1 2.63Å; N53-T57 VanDerWaalsContact O-OG1 3.04Å | ||
| 54 | D | 91.8 | Very high | 91.6 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 54% | 0.535 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.3 | -35.7 | -173.7 | -61.2 | -32.8 | 0 | 0 | 0 | 113.6 | K58 | D54-K58 WeakPolarHBondContact O-CB 2.95Å; D54-K58 PolarHBondContact O-N 3.37Å |
| 55 | E | 92.9 | Very high | 91.5 | Very high | 138 Ų | 138 | 76.4 Ų | 76.4 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.3 | -41.5 | -179.8 | -63.6 | -168.5 | 175.9 | 0 | 0 | 111.8 | N53 R59 | N53-E55 VanDerWaalsContact C-N 3.35Å; N53-E55 PolarHBondContact O-N 3.29Å; N53-E55 WeakPolarHBondContact OD1-CB 3.25Å; N53-E55 PolarHBondContact OD1-N 2.89Å; E55-R59 WeakPolarHBondContact O-CG 3.34Å; E55-R59 PolarHBondContact O-N 3.2Å |
| 56 | K | 91.3 | Very high | 91.3 | Very high | 128 Ų | 128 | 81 Ų | 81 | 56% | 0.557 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 176.5 | -71.5 | -175.8 | -179.9 | 175.7 | 0 | 110.9 | F51 N53 K58 R59 F60 | F51-K56 HydrophobicContact CB-CB 4.32Å; F51-K56 HydrophobicContact CD1-CB 4.33Å; F51-K56 HydrophobicContact CG-CB 4.29Å; N53-K56 HydrophobicContact CB-CB 4.31Å; N53-K56 HydrophobicContact CB-CD 4.32Å; N53-K56 HydrophobicContact CB-CG 4.38Å; N53-K56 PolarHBondContact O-N 2.65Å; N53-K56 PolarHBondContact OD1-N 3.47Å; N53-K56 VanDerWaalsContact OD1-N 3.13Å; K56-K58 VanDerWaalsContact C-N 3.32Å; K56-K58 PolarHBondContact O-N 2.98Å; K56-R59 PolarHBondContact O-N 3.44Å; K56-F60 WeakPolarHBondContact O-CB 3.15Å; K56-F60 PolarHBondContact O-N 2.8Å |
| 57 | T | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 177.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | Y44 A47 R48 F51 N53 F60 W61 | Y44-T57 HydrophobicContact CD2-CG2 4.2Å; Y44-T57 HydrophobicContact CE2-CG2 3.73Å; A47-T57 HydrophobicContact CB-CG2 3.92Å; A47-T57 PolarHBondContact O-OG1 2.58Å; R48-T57 WeakPolarHBondContact CA-OG1 3.38Å; R48-T57 HydrophobicContact CB-CG2 4.08Å; F51-T57 WeakPolarHBondContact CB-OG1 3.48Å; N53-T57 PolarHBondContact O-N 2.83Å; N53-T57 PolarHBondContact O-OG1 2.63Å; N53-T57 VanDerWaalsContact O-OG1 3.04Å; T57-F60 PolarHBondContact O-N 2.73Å; T57-W61 WeakPolarHBondContact O-CB 3.34Å; T57-W61 PolarHBondContact O-N 2.99Å |
| 58 | K | 93.3 | Very high | 90.3 | Very high | 122 Ų | 122 | 89.6 Ų | 89.6 | 53% | 0.53 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 178.3 | -174.2 | 178.4 | 177.5 | -176.7 | 0 | 112.3 | D54 K56 F60 W61 E62 | D54-K58 WeakPolarHBondContact O-CB 2.95Å; D54-K58 PolarHBondContact O-N 3.37Å; K56-K58 VanDerWaalsContact C-N 3.32Å; K56-K58 PolarHBondContact O-N 2.98Å; K58-F60 VanDerWaalsContact C-N 3.35Å; K58-F60 PolarHBondContact O-N 3.15Å; K58-W61 PolarHBondContact O-N 2.77Å; K58-E62 WeakPolarHBondContact CE-OE1 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.4Å; K58-E62 PolarHBondContact O-N 2.85Å |
| 59 | R | 93.4 | Very high | 89.1 | Confident | 179 Ų | 179 | 88.6 Ų | 88.6 | 68% | 0.675 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 178.5 | -67.3 | 179.6 | -170.4 | -177.7 | 5.9 | 111.7 | E55 K56 W61 E63 | E55-R59 WeakPolarHBondContact O-CG 3.34Å; E55-R59 PolarHBondContact O-N 3.2Å; K56-R59 PolarHBondContact O-N 3.44Å; R59-W61 VanDerWaalsContact C-N 3.34Å; R59-E63 PolarHBondContact O-N 3.39Å |
| 60 | F | 93.6 | Very high | 87.6 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 175.3 | 172.5 | -89.3 | 0 | 0 | 0 | 111.9 | I33 C37 A47 F51 K56 T57 K58 E63 Y64 | I33-F60 HydrophobicContact CD1-CD1 4.17Å; I33-F60 HydrophobicContact CD1-CE1 3.72Å; I33-F60 HydrophobicContact CD1-CE2 4.03Å; I33-F60 HydrophobicContact CD1-CZ 3.64Å; I33-F60 HydrophobicContact CG1-CD2 4.19Å; I33-F60 HydrophobicContact CG1-CE1 4.13Å; I33-F60 HydrophobicContact CG1-CE2 3.52Å; I33-F60 HydrophobicContact CG1-CZ 3.52Å; C37-F60 HydrophobicContact CB-CE1 3.89Å; C37-F60 HydrophobicContact CB-CZ 3.55Å; A47-F60 HydrophobicContact CB-CD1 4.23Å; A47-F60 HydrophobicContact CB-CE1 4.24Å; F51-F60 HydrophobicContact CD2-CB 4.48Å; F51-F60 HydrophobicContact CE2-CB 3.64Å; F51-F60 AromaticContact CE2-CD1 3.88Å; F51-F60 HydrophobicContact CE2-CD1 3.88Å; F51-F60 AromaticContact CE2-CD2 3.74Å; F51-F60 HydrophobicContact CE2-CD2 3.74Å; F51-F60 HydrophobicContact CE2-CE2 4.34Å; F51-F60 AromaticContact CE2-CG 3.47Å; F51-F60 HydrophobicContact CE2-CG 3.47Å; F51-F60 VanDerWaalsContact CE2-CG 3.47Å; F51-F60 HydrophobicContact CZ-CB 4.09Å; F51-F60 AromaticContact CZ-CD2 3.74Å; F51-F60 HydrophobicContact CZ-CD2 3.74Å; F51-F60 HydrophobicContact CZ-CE2 4.33Å; F51-F60 AromaticContact CZ-CG 3.93Å; F51-F60 HydrophobicContact CZ-CG 3.93Å; K56-F60 WeakPolarHBondContact O-CB 3.15Å; K56-F60 PolarHBondContact O-N 2.8Å; T57-F60 PolarHBondContact O-N 2.73Å; K58-F60 VanDerWaalsContact C-N 3.35Å; K58-F60 PolarHBondContact O-N 3.15Å; F60-E63 WeakPolarHBondContact O-CB 3.12Å; F60-E63 PolarHBondContact O-N 3.38Å; F60-Y64 HydrophobicContact CE1-CD2 4.41Å; F60-Y64 HydrophobicContact CE1-CG 4.19Å; F60-Y64 HydrophobicContact CZ-CD2 4.36Å; F60-Y64 VanDerWaalsContact O-CB 3.27Å; F60-Y64 WeakPolarHBondContact O-CB 3.4Å; F60-Y64 PolarHBondContact O-N 3.1Å |
| 61 | W | 93.9 | Very high | 85.8 | Confident | 69 Ų | 69 | 94 Ų | 94 | 26% | 0.261 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | -175.8 | -172.5 | -103.8 | 0 | 0 | 0 | 112.2 | Y44 A47 T57 K58 R59 E63 Y64 V65 | Y44-W61 VanDerWaalsContact CA-CZ3 3.49Å; Y44-W61 HydrophobicContact CD2-CB 3.98Å; Y44-W61 AromaticContact CD2-CD1 3.81Å; Y44-W61 AromaticContact CD2-CD2 3.55Å; Y44-W61 HydrophobicContact CD2-CD2 3.55Å; Y44-W61 AromaticContact CD2-CE2 3.89Å; Y44-W61 HydrophobicContact CD2-CE3 4.02Å; Y44-W61 AromaticContact CD2-CG 3.51Å; Y44-W61 HydrophobicContact CD2-CG 3.51Å; Y44-W61 HydrophobicContact CE2-CB 4.01Å; Y44-W61 HydrophobicContact CE2-CD2 4.44Å; Y44-W61 AromaticContact CE2-CG 3.96Å; Y44-W61 HydrophobicContact CE2-CG 3.96Å; Y44-W61 HydrophobicContact CG-CD2 4.38Å; Y44-W61 VanDerWaalsContact N-CZ3 3.34Å; A47-W61 HydrophobicContact CB-CE3 4.33Å; T57-W61 WeakPolarHBondContact O-CB 3.34Å; T57-W61 PolarHBondContact O-N 2.99Å; K58-W61 PolarHBondContact O-N 2.77Å; R59-W61 VanDerWaalsContact C-N 3.34Å; W61-E63 VanDerWaalsContact C-N 3.29Å; W61-E63 PolarHBondContact O-N 3Å; W61-Y64 AromaticContact CE3-CD1 3.98Å; W61-Y64 HydrophobicContact CE3-CD1 3.98Å; W61-Y64 HydrophobicContact CH2-CD1 4.33Å; W61-Y64 HydrophobicContact CH2-CE1 4.32Å; W61-Y64 AromaticContact CZ3-CD1 3.83Å; W61-Y64 HydrophobicContact CZ3-CD1 3.83Å; W61-Y64 HydrophobicContact CZ3-CE1 4.03Å; W61-Y64 PolarHBondContact O-N 3.37Å; W61-V65 HydrophobicContact CD2-CG2 4.19Å; W61-V65 HydrophobicContact CG-CG2 4.3Å; W61-V65 HydrophobicContact CZ2-CG2 4.18Å; W61-V65 WeakPolarHBondContact O-CB 3.39Å; W61-V65 VanDerWaalsContact O-CG2 3.27Å; W61-V65 WeakPolarHBondContact O-CG2 3.5Å; W61-V65 PolarHBondContact O-N 2.92Å |
| 62 | E | 91.8 | Very high | 84 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58 | -44.1 | 173.3 | -72.6 | 170.6 | -172.5 | 0 | 0 | 111.3 | K58 R66 | K58-E62 WeakPolarHBondContact CE-OE1 3.27Å; K58-E62 WeakPolarHBondContact O-CG 3.4Å; K58-E62 PolarHBondContact O-N 2.85Å; E62-R66 WeakPolarHBondContact O-CB 2.96Å; E62-R66 PolarHBondContact O-N 3.4Å; E62-R66 VanDerWaalsContact O-N 3.13Å |
| 63 | E | 90.1 | Very high | 81.8 | Confident | 79 Ų | 79 | 88.2 Ų | 88.2 | 37% | 0.369 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 174.6 | -175 | 63.6 | -158.3 | 0 | 0 | 112 | R59 F60 W61 V65 R66 E67 | R59-E63 PolarHBondContact O-N 3.39Å; F60-E63 WeakPolarHBondContact O-CB 3.12Å; F60-E63 PolarHBondContact O-N 3.38Å; W61-E63 VanDerWaalsContact C-N 3.29Å; W61-E63 PolarHBondContact O-N 3Å; E63-V65 PolarHBondContact O-N 2.87Å; E63-R66 PolarHBondContact O-N 3.25Å; E63-R66 IonicContact OE1-CZ 3.63Å; E63-R66 IonicContact OE1-NH1 3.67Å; E63-R66 IonicContact OE1-NH2 2.83Å; E63-R66 PolarHBondContact OE1-NH2 3.26Å; E63-R66 IonicContact OE2-CZ 3.51Å; E63-R66 IonicContact OE2-NE 3.5Å; E63-R66 IonicContact OE2-NH2 3.58Å; E63-R66 PolarHBondContact OE2-NH2 2.91Å; E63-E67 WeakPolarHBondContact O-CB 3.49Å; E63-E67 PolarHBondContact O-N 3.49Å |
| 64 | Y | 89 | Confident | 79.6 | Confident | 26 Ų | 26 | 92.3 Ų | 92.3 | 10% | 0.102 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | -178.1 | 176.8 | -103.7 | 0 | 0 | 0 | 111.8 | C37 V41 C42 F60 W61 R66 E67 S68 | C37-Y64 WeakPolarHBondContact O-CE2 3.37Å; V41-Y64 WeakPolarHBondContact CA-OH 3.49Å; C42-Y64 PolarHBondContact N-OH 3.48Å; F60-Y64 HydrophobicContact CE1-CD2 4.41Å; F60-Y64 HydrophobicContact CE1-CG 4.19Å; F60-Y64 HydrophobicContact CZ-CD2 4.36Å; F60-Y64 VanDerWaalsContact O-CB 3.27Å; F60-Y64 WeakPolarHBondContact O-CB 3.4Å; F60-Y64 PolarHBondContact O-N 3.1Å; W61-Y64 AromaticContact CE3-CD1 3.98Å; W61-Y64 HydrophobicContact CE3-CD1 3.98Å; W61-Y64 HydrophobicContact CH2-CD1 4.33Å; W61-Y64 HydrophobicContact CH2-CE1 4.32Å; W61-Y64 AromaticContact CZ3-CD1 3.83Å; W61-Y64 HydrophobicContact CZ3-CD1 3.83Å; W61-Y64 HydrophobicContact CZ3-CE1 4.03Å; W61-Y64 PolarHBondContact O-N 3.37Å; Y64-R66 VanDerWaalsContact C-N 3.33Å; Y64-E67 PolarHBondContact O-N 3.46Å; Y64-S68 VanDerWaalsContact O-CB 3.23Å; Y64-S68 WeakPolarHBondContact O-CB 3.49Å; Y64-S68 PolarHBondContact O-N 3.43Å; Y64-S68 PolarHBondContact O-OG 3.25Å |
| 65 | V | 87.9 | Confident | 77.5 | Confident | 58 Ų | 58 | 94.3 Ų | 94.3 | 35% | 0.352 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.4 | W61 E63 S68 S69 | W61-V65 HydrophobicContact CD2-CG2 4.19Å; W61-V65 HydrophobicContact CG-CG2 4.3Å; W61-V65 HydrophobicContact CZ2-CG2 4.18Å; W61-V65 WeakPolarHBondContact O-CB 3.39Å; W61-V65 VanDerWaalsContact O-CG2 3.27Å; W61-V65 WeakPolarHBondContact O-CG2 3.5Å; W61-V65 PolarHBondContact O-N 2.92Å; E63-V65 PolarHBondContact O-N 2.87Å; V65-S68 WeakPolarHBondContact CA-OG 3.09Å; V65-S68 PolarHBondContact O-OG 3.21Å; V65-S69 WeakPolarHBondContact O-CA 3.03Å; V65-S69 WeakPolarHBondContact O-CB 3.2Å; V65-S69 PolarHBondContact O-N 3.15Å; V65-S69 PolarHBondContact O-OG 3.19Å |
| 66 | R | 85.8 | Confident | 75.5 | Confident | 139 Ų | 139 | 92.9 Ų | 92.9 | 53% | 0.525 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -35.6 | 177.9 | -174.9 | 178.1 | 57.4 | 69.4 | -17.3 | 113 | E62 E63 Y64 | E62-R66 WeakPolarHBondContact O-CB 2.96Å; E62-R66 PolarHBondContact O-N 3.4Å; E62-R66 VanDerWaalsContact O-N 3.13Å; E63-R66 PolarHBondContact O-N 3.25Å; E63-R66 IonicContact OE1-CZ 3.63Å; E63-R66 IonicContact OE1-NH1 3.67Å; E63-R66 IonicContact OE1-NH2 2.83Å; E63-R66 PolarHBondContact OE1-NH2 3.26Å; E63-R66 IonicContact OE2-CZ 3.51Å; E63-R66 IonicContact OE2-NE 3.5Å; E63-R66 IonicContact OE2-NH2 3.58Å; E63-R66 PolarHBondContact OE2-NH2 2.91Å; Y64-R66 VanDerWaalsContact C-N 3.33Å |
| 67 | E | 83.5 | Confident | 73.5 | Confident | 140 Ų | 140 | 95.2 Ų | 95.2 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.7 | -43.8 | 177.8 | -172.2 | 62.3 | -153.4 | 0 | 0 | 111.6 | E63 Y64 S69 | E63-E67 WeakPolarHBondContact O-CB 3.49Å; E63-E67 PolarHBondContact O-N 3.49Å; Y64-E67 PolarHBondContact O-N 3.46Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.63Å |
| 68 | S | 75.9 | Confident | 71.1 | Confident | 68 Ų | 68 | 100.1 Ų | 100.1 | 48% | 0.476 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.5 | -22.5 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | Y64 V65 P70 | Y64-S68 VanDerWaalsContact O-CB 3.23Å; Y64-S68 WeakPolarHBondContact O-CB 3.49Å; Y64-S68 PolarHBondContact O-N 3.43Å; Y64-S68 PolarHBondContact O-OG 3.25Å; V65-S68 WeakPolarHBondContact CA-OG 3.09Å; V65-S68 PolarHBondContact O-OG 3.21Å; S68-P70 WeakPolarHBondContact O-CD 3.2Å |
| 69 | S | 68.6 | Low | 68.9 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -104.7 | 96.2 | 174.3 | -46.8 | 0 | 0 | 0 | 0 | 108.8 | V65 E67 | V65-S69 WeakPolarHBondContact O-CA 3.03Å; V65-S69 WeakPolarHBondContact O-CB 3.2Å; V65-S69 PolarHBondContact O-N 3.15Å; V65-S69 PolarHBondContact O-OG 3.19Å; E67-S69 VanDerWaalsContact C-N 3.28Å; E67-S69 PolarHBondContact O-N 2.63Å |
| 70 | P | 59.5 | Low | 67 | Low | 93 Ų | 93 | 88.6 Ų | 88.6 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | trans | -55.4 | 144 | -179.4 | 20.6 | -31 | 0 | 0 | 0 | 110.9 | S68 G72 | S68-P70 WeakPolarHBondContact O-CD 3.2Å; P70-G72 PolarHBondContact O-N 3.07Å | ||
| 71 | P | 52.7 | Low | 65.3 | Low | 141 Ų | 141 | 90.4 Ų | 90.4 | 92% | 0.916 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -72.6 | 75.2 | 177.6 | 30.1 | -32.4 | 0 | 0 | 0 | 108.7 | ||
| 72 | G | 52 | Low | 63.7 | Low | 59 Ų | 59 | 94.2 Ų | 94.2 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 166.3 | 71.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P70 | P70-G72 PolarHBondContact O-N 3.07Š|
| 73 | G | 45.1 | Very low | 62.7 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 56% | 0.557 | 55% | 0.551 | S | S | * | * | trans | 66.9 | 97.6 | 147.7 | 0 | 0 | 0 | 0 | 0 | 116 | D75 | G73-D75 PolarHBondContact O-N 3.01Š| ||
| 74 | L | 45.4 | Very low | 62 | Low | 152 Ų | 152 | 92.4 Ų | 92.4 | 80% | 0.796 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 37.3 | 159.2 | -161.7 | 82.6 | 0 | 0 | 0 | 113.1 | ||
| 75 | D | 47.3 | Very low | 61.6 | Low | 143 Ų | 143 | 99.9 Ų | 99.9 | 77% | 0.765 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -16.7 | 174.7 | -71 | -36.4 | 0 | 0 | 0 | 112.5 | G73 | G73-D75 PolarHBondContact O-N 3.01Š|
| 76 | S | 50.5 | Low | 61.3 | Low | 107 Ų | 107 | 102.9 Ų | 102.9 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -94.4 | -23.3 | -175.7 | -80.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 77 | M | 50.9 | Low | 61.3 | Low | 178 Ų | 178 | 100 Ų | 100 | 88% | 0.877 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -99.1 | -28.3 | -176.5 | -160.1 | 160.7 | 149.2 | 0 | 0 | 113.7 | ||
| 78 | V | 43.3 | Very low | 61.5 | Low | 102 Ų | 102 | 97.2 Ų | 97.2 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.5 | -25.7 | 167.6 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | G80 | V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 3.36Å |
| 79 | G | 47.5 | Very low | 62.3 | Low | 34 Ų | 34 | 97 Ų | 97 | 35% | 0.351 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -21.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S83 | G79-S83 WeakPolarHBondContact O-CB 3.47Å; G79-S83 PolarHBondContact O-N 3.45Å |
| 80 | G | 53.3 | Low | 63.4 | Low | 26 Ų | 26 | 100.2 Ų | 100.2 | 27% | 0.268 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.8 | -46.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | V78 Q82 S83 L84 | V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 3.36Å; G80-Q82 PolarHBondContact O-N 2.86Å; G80-S83 PolarHBondContact O-N 3.26Å; G80-L84 WeakPolarHBondContact O-CB 3.44Å; G80-L84 WeakPolarHBondContact O-CD1 3.41Å; G80-L84 WeakPolarHBondContact O-CG 3.17Å; G80-L84 PolarHBondContact O-N 3.01Å |
| 81 | A | 56.3 | Low | 65.1 | Low | 59 Ų | 59 | 101.1 Ų | 101.1 | 49% | 0.488 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.5 | -41 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y85 | A81-Y85 WeakPolarHBondContact O-CD2 3.28Å; A81-Y85 WeakPolarHBondContact O-CE2 3.49Å; A81-Y85 PolarHBondContact O-N 3.33Å |
| 82 | Q | 60.3 | Low | 67.1 | Low | 148 Ų | 148 | 99.1 Ų | 99.1 | 69% | 0.692 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -76.6 | -34.4 | -179.9 | -156.8 | 155.1 | -15.2 | 0 | 0 | 112.9 | G80 Y85 | G80-Q82 PolarHBondContact O-N 2.86Å; Q82-Y85 PolarHBondContact O-N 2.89Å |
| 83 | S | 72.5 | Confident | 69.2 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 39% | 0.385 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.7 | -37.6 | 172.5 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | G79 G80 Y85 L86 I87 | G79-S83 WeakPolarHBondContact O-CB 3.47Å; G79-S83 PolarHBondContact O-N 3.45Å; G80-S83 PolarHBondContact O-N 3.26Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.02Å; S83-L86 PolarHBondContact O-N 2.93Å; S83-I87 WeakPolarHBondContact O-CB 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.49Å; S83-I87 PolarHBondContact O-N 3.38Å; S83-I87 WeakPolarHBondContact OG-CD1 3.49Å |
| 84 | L | 75.1 | Confident | 71.7 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 52% | 0.518 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.7 | -34.7 | 174 | -73.7 | 168.3 | 0 | 0 | 0 | 112.5 | G80 L86 I87 V88 | G80-L84 WeakPolarHBondContact O-CB 3.44Å; G80-L84 WeakPolarHBondContact O-CD1 3.41Å; G80-L84 WeakPolarHBondContact O-CG 3.17Å; G80-L84 PolarHBondContact O-N 3.01Å; L84-L86 PolarHBondContact O-N 3.26Å; L84-I87 PolarHBondContact O-N 2.89Å; L84-V88 HydrophobicContact CD2-CG2 4.43Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.38Å; L84-V88 PolarHBondContact O-N 3.25Å |
| 85 | Y | 80.4 | Confident | 74.1 | Confident | 182 Ų | 182 | 97.6 Ų | 97.6 | 71% | 0.714 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.9 | -16.5 | 173.8 | -75.1 | -71.7 | 0 | 0 | 0 | 114.2 | A81 Q82 S83 P89 | A81-Y85 WeakPolarHBondContact O-CD2 3.28Å; A81-Y85 WeakPolarHBondContact O-CE2 3.49Å; A81-Y85 PolarHBondContact O-N 3.33Å; Q82-Y85 PolarHBondContact O-N 2.89Å; S83-Y85 VanDerWaalsContact C-N 3.29Å; S83-Y85 PolarHBondContact O-N 3.02Å; Y85-P89 WeakPolarHBondContact O-CD 3.2Å; Y85-P89 WeakPolarHBondContact O-CG 3.24Å |
| 86 | L | 81.3 | Confident | 76.5 | Confident | 122 Ų | 122 | 95.3 Ų | 95.3 | 64% | 0.639 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -97.6 | -40.8 | 172.6 | -63.7 | 178.7 | 0 | 0 | 0 | 111.3 | S83 L84 L90 | S83-L86 PolarHBondContact O-N 2.93Å; L84-L86 PolarHBondContact O-N 3.26Å; L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 WeakPolarHBondContact O-CD1 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.08Å; L86-L90 PolarHBondContact O-N 2.91Å |
| 87 | I | 85.4 | Confident | 78.8 | Confident | 77 Ų | 77 | 94.6 Ų | 94.6 | 40% | 0.395 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.5 | -45.3 | -178.9 | -65.4 | 166.2 | 0 | 0 | 0 | 111.1 | S83 L84 L90 L91 | S83-I87 WeakPolarHBondContact O-CB 3.36Å; S83-I87 VanDerWaalsContact O-CG1 3.28Å; S83-I87 WeakPolarHBondContact O-CG1 3.49Å; S83-I87 PolarHBondContact O-N 3.38Å; S83-I87 WeakPolarHBondContact OG-CD1 3.49Å; L84-I87 PolarHBondContact O-N 2.89Å; I87-L90 PolarHBondContact O-N 2.93Å; I87-L91 HydrophobicContact CG2-CD1 3.83Å; I87-L91 HydrophobicContact CG2-CG 4.19Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.26Å |
| 88 | V | 89.1 | Confident | 81 | Confident | 82 Ų | 82 | 90.8 Ų | 90.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | -176.7 | 173 | 0 | 0 | 0 | 0 | 111.9 | L84 L90 L91 L92 | L84-V88 HydrophobicContact CD2-CG2 4.43Å; L84-V88 WeakPolarHBondContact O-CB 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.38Å; L84-V88 PolarHBondContact O-N 3.25Å; V88-L90 PolarHBondContact O-N 2.87Å; V88-L91 PolarHBondContact O-N 3.36Å; V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 PolarHBondContact O-N 2.97Å |
| 89 | P | 92.1 | Very high | 83.6 | Confident | 65 Ų | 65 | 88.3 Ų | 88.3 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 174 | -26.5 | 38.3 | 0 | 0 | 0 | 113.6 | Y85 L92 V93 | Y85-P89 WeakPolarHBondContact O-CD 3.2Å; Y85-P89 WeakPolarHBondContact O-CG 3.24Å; P89-L92 PolarHBondContact O-N 3.42Å; P89-V93 WeakPolarHBondContact O-CB 3.35Å; P89-V93 VanDerWaalsContact O-CG2 3.24Å; P89-V93 WeakPolarHBondContact O-CG2 3.29Å; P89-V93 PolarHBondContact O-N 3.47Å |
| 90 | L | 92.4 | Very high | 85.9 | Confident | 126 Ų | 126 | 90.9 Ų | 90.9 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -42.3 | 177.5 | -75.4 | 172.4 | 0 | 0 | 0 | 112.1 | L86 I87 V88 G94 | L86-L90 WeakPolarHBondContact O-CB 3.39Å; L86-L90 WeakPolarHBondContact O-CD1 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.08Å; L86-L90 PolarHBondContact O-N 2.91Å; I87-L90 PolarHBondContact O-N 2.93Å; V88-L90 PolarHBondContact O-N 2.87Å; L90-G94 PolarHBondContact O-N 2.92Å |
| 91 | L | 94.1 | Very high | 88 | Confident | 112 Ų | 112 | 92.3 Ų | 92.3 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -42.4 | 175.1 | -67.7 | 178.8 | 0 | 0 | 0 | 111.4 | I87 V88 G94 L95 | I87-L91 HydrophobicContact CG2-CD1 3.83Å; I87-L91 HydrophobicContact CG2-CG 4.19Å; I87-L91 WeakPolarHBondContact O-CG 3.32Å; I87-L91 PolarHBondContact O-N 3.26Å; V88-L91 PolarHBondContact O-N 3.36Å; L91-G94 PolarHBondContact O-N 3.25Å; L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.06Å |
| 92 | L | 94.9 | Very high | 89.9 | Confident | 99 Ų | 99 | 93.8 Ų | 93.8 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 178.2 | -172.6 | 144.9 | 0 | 0 | 0 | 111.7 | V88 P89 L95 I96 | V88-L92 WeakPolarHBondContact O-CB 3.42Å; V88-L92 PolarHBondContact O-N 2.97Å; P89-L92 PolarHBondContact O-N 3.42Å; L92-L95 PolarHBondContact O-N 2.96Å; L92-I96 HydrophobicContact CD2-CD1 3.57Å; L92-I96 HydrophobicContact CG-CD1 4.48Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.34Å; L92-I96 PolarHBondContact O-N 3.39Å |
| 93 | V | 96.8 | Very high | 91.6 | Very high | 84 Ų | 84 | 90.6 Ų | 90.6 | 51% | 0.509 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | P89 L95 I96 V97 | P89-V93 WeakPolarHBondContact O-CB 3.35Å; P89-V93 VanDerWaalsContact O-CG2 3.24Å; P89-V93 WeakPolarHBondContact O-CG2 3.29Å; P89-V93 PolarHBondContact O-N 3.47Å; V93-L95 PolarHBondContact O-N 3.3Å; V93-I96 PolarHBondContact O-N 2.95Å; V93-V97 HydrophobicContact CG1-CG2 4.44Å; V93-V97 WeakPolarHBondContact O-CG2 3.33Å; V93-V97 PolarHBondContact O-N 3.26Å |
| 94 | G | 96.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 90.5 Ų | 90.5 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L90 L91 I96 V97 I98 | L90-G94 PolarHBondContact O-N 2.92Å; L91-G94 PolarHBondContact O-N 3.25Å; G94-I96 PolarHBondContact O-N 2.9Å; G94-V97 PolarHBondContact O-N 2.86Å; G94-I98 VanDerWaalsContact O-CG1 3.25Å; G94-I98 WeakPolarHBondContact O-CG1 3.37Å; G94-I98 PolarHBondContact O-N 3.46Å |
| 95 | L | 96.8 | Very high | 93.7 | Very high | 120 Ų | 120 | 95.1 Ų | 95.1 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.1 | -39.4 | 176.9 | -70.2 | 176.8 | 0 | 0 | 0 | 112.4 | L91 L92 V93 I98 A99 | L91-L95 VanDerWaalsContact O-CG 3.31Å; L91-L95 WeakPolarHBondContact O-CG 3.25Å; L91-L95 PolarHBondContact O-N 3.06Å; L92-L95 PolarHBondContact O-N 2.96Å; V93-L95 PolarHBondContact O-N 3.3Å; L95-I98 PolarHBondContact O-N 3.46Å; L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 3.36Å |
| 96 | I | 97.4 | Very high | 94.3 | Very high | 95 Ų | 95 | 94 Ų | 94 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 175.2 | -68.2 | 169.2 | 0 | 0 | 0 | 110.6 | L92 V93 G94 I98 A99 V100 | L92-I96 HydrophobicContact CD2-CD1 3.57Å; L92-I96 HydrophobicContact CG-CD1 4.48Å; L92-I96 VanDerWaalsContact O-CG1 3.29Å; L92-I96 WeakPolarHBondContact O-CG1 3.34Å; L92-I96 PolarHBondContact O-N 3.39Å; V93-I96 PolarHBondContact O-N 2.95Å; G94-I96 PolarHBondContact O-N 2.9Å; I96-I98 VanDerWaalsContact C-N 3.34Å; I96-I98 PolarHBondContact O-N 3.29Å; I96-A99 PolarHBondContact O-N 2.93Å; I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.31Å; I96-V100 PolarHBondContact O-N 3.47Å |
| 97 | V | 97.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 92.1 Ų | 92.1 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 178.5 | 172.4 | 0 | 0 | 0 | 0 | 111 | V93 G94 V100 A101 | V93-V97 HydrophobicContact CG1-CG2 4.44Å; V93-V97 WeakPolarHBondContact O-CG2 3.33Å; V93-V97 PolarHBondContact O-N 3.26Å; G94-V97 PolarHBondContact O-N 2.86Å; V97-V100 PolarHBondContact O-N 3.27Å; V97-A101 WeakPolarHBondContact O-CB 3.34Å; V97-A101 PolarHBondContact O-N 3.44Å |
| 98 | I | 97.4 | Very high | 94.8 | Very high | 97 Ų | 97 | 93.5 Ų | 93.5 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 176.7 | -68.8 | 164.9 | 0 | 0 | 0 | 110.8 | G94 L95 I96 V100 A101 I102 | G94-I98 VanDerWaalsContact O-CG1 3.25Å; G94-I98 WeakPolarHBondContact O-CG1 3.37Å; G94-I98 PolarHBondContact O-N 3.46Å; L95-I98 PolarHBondContact O-N 3.46Å; I96-I98 VanDerWaalsContact C-N 3.34Å; I96-I98 PolarHBondContact O-N 3.29Å; I98-V100 PolarHBondContact O-N 2.92Å; I98-A101 PolarHBondContact O-N 3.43Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 HydrophobicContact CG2-CG1 4.32Å; I98-I102 WeakPolarHBondContact O-CB 3.47Å; I98-I102 VanDerWaalsContact O-CG1 3.26Å; I98-I102 WeakPolarHBondContact O-CG1 3.29Å; I98-I102 PolarHBondContact O-N 2.78Å |
| 99 | A | 97.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 92.5 Ų | 92.5 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L95 I96 I102 T103 | L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 3.36Å; I96-A99 PolarHBondContact O-N 2.93Å; A99-I102 PolarHBondContact O-N 3.44Å; A99-T103 WeakPolarHBondContact O-CB 3.37Å; A99-T103 VanDerWaalsContact O-CG2 3.29Å; A99-T103 WeakPolarHBondContact O-CG2 3.19Å; A99-T103 PolarHBondContact O-N 3.35Å; A99-T103 PolarHBondContact O-OG1 3.36Å |
| 100 | V | 97.4 | Very high | 94 | Very high | 87 Ų | 87 | 97.8 Ų | 97.8 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 175 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | I96 V97 I98 T103 A104 | I96-V100 HydrophobicContact CG2-CG2 4.47Å; I96-V100 WeakPolarHBondContact O-CG2 3.31Å; I96-V100 PolarHBondContact O-N 3.47Å; V97-V100 PolarHBondContact O-N 3.27Å; I98-V100 PolarHBondContact O-N 2.92Å; V100-T103 WeakPolarHBondContact CA-OG1 3.37Å; V100-T103 PolarHBondContact O-N 3.31Å; V100-T103 PolarHBondContact O-OG1 3.23Å; V100-A104 WeakPolarHBondContact O-CB 3.48Å; V100-A104 PolarHBondContact O-N 3.35Å |
| 101 | A | 96.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 96.8 Ų | 96.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V97 I98 W105 | V97-A101 WeakPolarHBondContact O-CB 3.34Å; V97-A101 PolarHBondContact O-N 3.44Å; I98-A101 PolarHBondContact O-N 3.43Å; A101-W105 WeakPolarHBondContact O-CB 3.32Å; A101-W105 PolarHBondContact O-N 3.48Å |
| 102 | I | 96.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 46% | 0.462 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 176.7 | -68.5 | 167.7 | 0 | 0 | 0 | 110.6 | I98 A99 W105 R106 | I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 HydrophobicContact CG2-CG1 4.32Å; I98-I102 WeakPolarHBondContact O-CB 3.47Å; I98-I102 VanDerWaalsContact O-CG1 3.26Å; I98-I102 WeakPolarHBondContact O-CG1 3.29Å; I98-I102 PolarHBondContact O-N 2.78Å; A99-I102 PolarHBondContact O-N 3.44Å; I102-W105 PolarHBondContact O-N 3.36Å; I102-R106 HydrophobicContact CG2-CG 4.09Å; I102-R106 VanDerWaalsContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.2Å; I102-R106 PolarHBondContact O-N 2.84Å |
| 103 | T | 95.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 178.9 | 52.2 | 0 | 0 | 0 | 0 | 111.6 | A99 V100 W105 R106 C107 | A99-T103 WeakPolarHBondContact O-CB 3.37Å; A99-T103 VanDerWaalsContact O-CG2 3.29Å; A99-T103 WeakPolarHBondContact O-CG2 3.19Å; A99-T103 PolarHBondContact O-N 3.35Å; A99-T103 PolarHBondContact O-OG1 3.36Å; V100-T103 WeakPolarHBondContact CA-OG1 3.37Å; V100-T103 PolarHBondContact O-N 3.31Å; V100-T103 PolarHBondContact O-OG1 3.23Å; T103-W105 PolarHBondContact O-N 2.78Å; T103-R106 PolarHBondContact O-N 2.94Å; T103-C107 VanDerWaalsContact O-CB 3.26Å; T103-C107 WeakPolarHBondContact O-CB 3.19Å; T103-C107 PolarHBondContact O-N 3.41Å; T103-C107 PolarHBondContact O-SG 2.85Å |
| 104 | A | 95.4 | Very high | 88.8 | Confident | 53 Ų | 53 | 103.4 Ų | 103.4 | 44% | 0.438 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V100 C107 H108 | V100-A104 WeakPolarHBondContact O-CB 3.48Å; V100-A104 PolarHBondContact O-N 3.35Å; A104-C107 PolarHBondContact O-N 3.31Å; A104-H108 WeakPolarHBondContact O-CB 3.08Å; A104-H108 PolarHBondContact O-N 3.42Å |
| 105 | W | 95.8 | Very high | 86.9 | Confident | 196 Ų | 196 | 109.2 Ų | 109.2 | 74% | 0.742 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -45.2 | 175.3 | -177.7 | -80.3 | 0 | 0 | 0 | 111.7 | A101 I102 T103 H108 S109 | A101-W105 WeakPolarHBondContact O-CB 3.32Å; A101-W105 PolarHBondContact O-N 3.48Å; I102-W105 PolarHBondContact O-N 3.36Å; T103-W105 PolarHBondContact O-N 2.78Å; W105-H108 PolarHBondContact O-N 3.3Å; W105-S109 WeakPolarHBondContact O-CB 3.11Å; W105-S109 PolarHBondContact O-N 3.14Å |
| 106 | R | 92.9 | Very high | 84.7 | Confident | 158 Ų | 158 | 107.6 Ų | 107.6 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.6 | -41.1 | 177.9 | -71.1 | -75.5 | -169.3 | 127.8 | 5.4 | 110.9 | I102 T103 R110 | I102-R106 HydrophobicContact CG2-CG 4.09Å; I102-R106 VanDerWaalsContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CB 3.26Å; I102-R106 WeakPolarHBondContact O-CG 3.2Å; I102-R106 PolarHBondContact O-N 2.84Å; T103-R106 PolarHBondContact O-N 2.94Å; R106-R110 VanDerWaalsContact O-CB 3.32Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 WeakPolarHBondContact O-CG 3.21Å; R106-R110 PolarHBondContact O-N 2.94Å |
| 107 | C | 90.5 | Very high | 82.5 | Confident | 83 Ų | 83 | 108.2 Ų | 108.2 | 56% | 0.561 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.2 | -43.3 | 174.1 | -74.9 | 0 | 0 | 0 | 0 | 111.4 | T103 A104 K111 | T103-C107 VanDerWaalsContact O-CB 3.26Å; T103-C107 WeakPolarHBondContact O-CB 3.19Å; T103-C107 PolarHBondContact O-N 3.41Å; T103-C107 PolarHBondContact O-SG 2.85Å; A104-C107 PolarHBondContact O-N 3.31Å; C107-K111 WeakPolarHBondContact O-CB 3.26Å; C107-K111 PolarHBondContact O-N 2.89Å |
| 108 | H | 87.8 | Confident | 80.4 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 49% | 0.491 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.2 | -36.1 | 178 | -171.5 | -95.6 | 0 | 0 | 0 | 112.1 | A104 W105 K111 R112 | A104-H108 WeakPolarHBondContact O-CB 3.08Å; A104-H108 PolarHBondContact O-N 3.42Å; W105-H108 PolarHBondContact O-N 3.3Å; H108-K111 CarbonylContact O-C 3.08Å; H108-K111 PolarHBondContact O-N 3.03Å; H108-R112 WeakPolarHBondContact O-CB 3.2Å; H108-R112 PolarHBondContact O-N 3.47Å |
| 109 | S | 84.1 | Confident | 78.1 | Confident | 61 Ų | 61 | 111 Ų | 111 | 43% | 0.427 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.2 | -44.2 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | W105 K111 R112 S113 | W105-S109 WeakPolarHBondContact O-CB 3.11Å; W105-S109 PolarHBondContact O-N 3.14Å; S109-K111 VanDerWaalsContact C-N 3.32Å; S109-K111 PolarHBondContact O-N 2.83Å; S109-R112 PolarHBondContact O-N 3.18Å; S109-S113 VanDerWaalsContact O-CB 3.23Å; S109-S113 WeakPolarHBondContact O-CB 3.32Å; S109-S113 PolarHBondContact O-N 3.25Å |
| 110 | R | 79.5 | Confident | 75.7 | Confident | 175 Ų | 175 | 112 Ų | 112 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.2 | -43 | 170.4 | -73.1 | 174.4 | -177.7 | -126.8 | 3.2 | 111.2 | R106 S113 Q114 | R106-R110 VanDerWaalsContact O-CB 3.32Å; R106-R110 WeakPolarHBondContact O-CB 3.42Å; R106-R110 WeakPolarHBondContact O-CG 3.21Å; R106-R110 PolarHBondContact O-N 2.94Å; R110-S113 PolarHBondContact O-N 3.06Å; R110-Q114 WeakPolarHBondContact O-CB 3.26Å; R110-Q114 WeakPolarHBondContact O-CG 3.21Å; R110-Q114 PolarHBondContact O-N 2.96Å |
| 111 | K | 76.4 | Confident | 73 | Confident | 106 Ų | 106 | 116.5 Ų | 116.5 | 46% | 0.461 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.5 | -34.1 | 177.3 | -164.6 | 177 | -164.2 | -177.9 | 0 | 112.7 | C107 H108 S109 R115 | C107-K111 WeakPolarHBondContact O-CB 3.26Å; C107-K111 PolarHBondContact O-N 2.89Å; H108-K111 CarbonylContact O-C 3.08Å; H108-K111 PolarHBondContact O-N 3.03Å; S109-K111 VanDerWaalsContact C-N 3.32Å; S109-K111 PolarHBondContact O-N 2.83Å; K111-R115 WeakPolarHBondContact O-CB 3.13Å; K111-R115 WeakPolarHBondContact O-CG 3.49Å; K111-R115 PolarHBondContact O-N 3.01Å |
| 112 | R | 66.1 | Low | 70.9 | Confident | 182 Ų | 182 | 118.6 Ų | 118.6 | 69% | 0.687 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.4 | -36.8 | 175.7 | -172 | 175.9 | -176.7 | -178.1 | 1.3 | 110.9 | H108 S109 R115 S116 | H108-R112 WeakPolarHBondContact O-CB 3.2Å; H108-R112 PolarHBondContact O-N 3.47Å; S109-R112 PolarHBondContact O-N 3.18Å; R112-R115 CarbonylContact O-C 3.43Å; R112-R115 PolarHBondContact O-N 3.08Å; R112-S116 PolarHBondContact O-N 3.02Å; R112-S116 VanDerWaalsContact O-N 3.15Å; R112-S116 PolarHBondContact O-OG 3.19Å |
| 113 | S | 63.5 | Low | 68.5 | Low | 88 Ų | 88 | 121.6 Ų | 121.6 | 62% | 0.615 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | 171.1 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | S109 R110 | S109-S113 VanDerWaalsContact O-CB 3.23Å; S109-S113 WeakPolarHBondContact O-CB 3.32Å; S109-S113 PolarHBondContact O-N 3.25Å; R110-S113 PolarHBondContact O-N 3.06Å |
| 114 | Q | 62.3 | Low | 65.9 | Low | 164 Ų | 164 | 127 Ų | 127 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.6 | -30.3 | 172.4 | -73.1 | -176.4 | 9.5 | 0 | 0 | 113.6 | R110 S116 | R110-Q114 WeakPolarHBondContact O-CB 3.26Å; R110-Q114 WeakPolarHBondContact O-CG 3.21Å; R110-Q114 PolarHBondContact O-N 2.96Å; Q114-S116 PolarHBondContact O-N 2.73Å |
| 115 | R | 57.2 | Low | 63.4 | Low | 151 Ų | 151 | 130.7 Ų | 130.7 | 57% | 0.57 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 14.7 | 173.5 | -74.3 | 171.8 | 172.5 | 170.9 | -12.3 | 113.4 | K111 R112 P117 | K111-R115 WeakPolarHBondContact O-CB 3.13Å; K111-R115 WeakPolarHBondContact O-CG 3.49Å; K111-R115 PolarHBondContact O-N 3.01Å; R112-R115 CarbonylContact O-C 3.43Å; R112-R115 PolarHBondContact O-N 3.08Å; R115-P117 WeakPolarHBondContact O-CD 3.16Å |
| 116 | S | 51 | Low | 61.1 | Low | 86 Ų | 86 | 130.4 Ų | 130.4 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | trans | -89.1 | 79.5 | 154.7 | -60.9 | 0 | 0 | 0 | 0 | 107.7 | R112 Q114 G118 | R112-S116 PolarHBondContact O-N 3.02Å; R112-S116 VanDerWaalsContact O-N 3.15Å; R112-S116 PolarHBondContact O-OG 3.19Å; Q114-S116 PolarHBondContact O-N 2.73Å; S116-G118 PolarHBondContact O-N 3.33Å | ||
| 117 | P | 50.6 | Low | 59.1 | Low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | trans | -63 | 126.4 | 157.2 | 29.5 | -28.2 | 0 | 0 | 0 | 105.7 | R115 L119 | R115-P117 WeakPolarHBondContact O-CD 3.16Å; P117-L119 PolarHBondContact O-N 2.69Å | ||
| 118 | G | 53 | Low | 57.5 | Low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 70% | 0.703 | S | S | * | * | trans | -53.7 | 108.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | S116 | S116-G118 PolarHBondContact O-N 3.33Š| ||
| 119 | L | 49.1 | Very low | 55.6 | Low | 167 Ų | 167 | 133.4 Ų | 133.4 | 87% | 0.874 | 72% | 0.72 | S | S | * | * | trans | -97.7 | 95.5 | 155.7 | -166.4 | 68.9 | 0 | 0 | 0 | 105.5 | P117 H121 | P117-L119 PolarHBondContact O-N 2.69Å; L119-H121 PolarHBondContact O-N 2.76Å | ||
| 120 | G | 49 | Very low | 54.1 | Low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 74% | 0.741 | S | S | * | * | trans | -55.8 | 120.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 121 | H | 39.5 | Very low | 52.7 | Low | 182 Ų | 182 | 134.8 Ų | 134.8 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -125.4 | 96.1 | 142.2 | -163.8 | 67.2 | 0 | 0 | 0 | 107.9 | L119 H123 | L119-H121 PolarHBondContact O-N 2.76Å; H121-H123 PolarHBondContact O-N 3.35Å | ||
| 122 | S | 52.7 | Low | 50.9 | Low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -6.7 | 97.8 | 152.6 | 180 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 123 | H | 46.4 | Very low | 50.3 | Low | 152 Ų | 152 | 133.7 Ų | 133.7 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | trans | -164 | 65.8 | 142 | -137.9 | -88 | 0 | 0 | 0 | 111.9 | H121 | H121-H123 PolarHBondContact O-N 3.35Š| ||
| 124 | H | 41.5 | Very low | 49.4 | Very low | 195 Ų | 195 | 136.5 Ų | 136.5 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -111.7 | 109.9 | 167.4 | -80.1 | -64.7 | 0 | 0 | 0 | 110.3 | H126 | H124-H126 PolarHBondContact O-N 2.83Š| ||
| 125 | N | 42.1 | Very low | 48.6 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -47.9 | 127.2 | 173.1 | -60.2 | -69.5 | 0 | 0 | 0 | 111.2 | V127 | N125-V127 PolarHBondContact O-N 3.42Š| ||
| 126 | H | 47.4 | Very low | 47.5 | Very low | 191 Ų | 191 | 142 Ų | 142 | 88% | 0.884 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 48.4 | -176.7 | -169.8 | -73 | 0 | 0 | 0 | 113.2 | H124 | H124-H126 PolarHBondContact O-N 2.83Š|
| 127 | V | 52.4 | Low | 46.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.7 | -22.6 | 179.6 | -171.7 | 0 | 0 | 0 | 0 | 114.3 | N125 | N125-V127 PolarHBondContact O-N 3.42Š|
| 128 | L | 56 | Low | 46 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -149 | 77.3 | -171 | -63.7 | 171.3 | 0 | 0 | 0 | 113 | ||
| 129 | S | 48.5 | Very low | 45.3 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 77.7 | 149 | -162.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 130 | V | 51.7 | Low | 44.6 | Very low | 141 Ų | 141 | 152.4 Ų | 152.4 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -102.3 | 144.9 | 160.3 | -178.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 131 | V | 50.4 | Low | 44 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 99.4 | 82.3 | 175.7 | -164.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 132 | S | 39.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -116.8 | 110.6 | 133.3 | -164.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 133 | M | 53.4 | Low | 43 | Very low | 143 Ų | 143 | 155.5 Ų | 155.5 | 70% | 0.704 | 80% | 0.803 | S | S | * | * | trans | -59 | 149.1 | 150.7 | -69 | -176.4 | 57.2 | 0 | 0 | 106.4 | ||||
| 134 | D | 44.9 | Very low | 42.3 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | -156 | 114.4 | 58.2 | -42.3 | -56 | 0 | 0 | 0 | 110.3 | |||||
| 135 | Q | 44.8 | Very low | 41.8 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -93.5 | 114.9 | 158.4 | -177.9 | 90.3 | 48.3 | 0 | 0 | 105.2 | ||||
| 136 | W | 32.9 | Very low | 41.4 | Very low | 251 Ų | 251 | 154.4 Ų | 154.4 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | 171.6 | 130.4 | 141.6 | -105.2 | 57.8 | 0 | 0 | 0 | 112.8 | ||||
| 137 | G | 36.8 | Very low | 40.7 | Very low | 65 Ų | 65 | 154 Ų | 154 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 108.7 | 77.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 138 | R | 34.9 | Very low | 39.8 | Very low | 249 Ų | 249 | 155.1 Ų | 155.1 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | 174.1 | 112.3 | 116.3 | -100.3 | -166 | -75.3 | -139.1 | -0.8 | 111.6 | |||||
| 139 | D | 38.1 | Very low | 38.6 | Very low | 144 Ų | 144 | 151.5 Ų | 151.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -80.7 | 163 | 159 | -73.7 | -51.2 | 0 | 0 | 0 | 111.5 | ||||
| 140 | Y | 34.5 | Very low | 37.8 | Very low | 201 Ų | 201 | 153 Ų | 153 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | 118.5 | 124.7 | 160.8 | -68.6 | -54.9 | 0 | 0 | 0 | 114.1 | ||||
| 141 | H | 36.1 | Very low | 36.9 | Very low | 156 Ų | 156 | 154.5 Ų | 154.5 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | cis | -151.5 | 140.1 | 1.7 | -95.5 | -78.2 | 0 | 0 | 0 | 107.6 | ||||
| 142 | H | 37.6 | Very low | 36.1 | Very low | 198 Ų | 198 | 153.2 Ų | 153.2 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -105 | 123.2 | 158 | -109.7 | 43.4 | 0 | 0 | 0 | 107.8 | ||||
| 143 | G | 33 | Very low | 36 | Very low | 65 Ų | 65 | 152.6 Ų | 152.6 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -80.1 | 154.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 144 | D | 32 | Very low | 36.1 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 76.2 | 98.8 | 165.7 | -65.3 | -15.7 | 0 | 0 | 0 | 119.7 | ||||
| 145 | Q | 30.6 | Very low | 35.4 | Very low | 184 Ų | 184 | 149.3 Ų | 149.3 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | -165.8 | 109.4 | 123.4 | -106.4 | 166 | 61.5 | 0 | 0 | 108.3 | |||||
| 146 | S | 34 | Very low | 35 | Very low | 110 Ų | 110 | 151.8 Ų | 151.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | 63.1 | 108.2 | 98.9 | -61.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 147 | E | 33.1 | Very low | 35.5 | Very low | 183 Ų | 183 | 145.7 Ų | 145.7 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 52.8 | 116.1 | 150.1 | -56.6 | -152.2 | 105.3 | 0 | 0 | 120.8 | ||||
| 148 | L | 33.4 | Very low | 35.3 | Very low | 146 Ų | 146 | 145.9 Ų | 145.9 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | 163.2 | 137.6 | 92.7 | -152.2 | 92.5 | 0 | 0 | 0 | 111.4 | |||||
| 149 | S | 30 | Very low | 35.5 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 61% | 0.608 | 78% | 0.784 | S | S | * | * | trans | 72.7 | 103.6 | 149.8 | 65.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 150 | I | 33.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | 73.3 | 117.3 | 110.9 | -66.5 | 164.1 | 0 | 0 | 0 | 120.1 | |||||
| 151 | H | 31.3 | Very low | 35.7 | Very low | 171 Ų | 171 | 138 Ų | 138 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | 99.8 | 112.5 | 141.7 | -112.1 | -104.6 | 0 | 0 | 0 | 120.8 | ||||
| 152 | S | 34.2 | Very low | 35.5 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 78.8 | 107.3 | 136.8 | -66.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 153 | S | 37.5 | Very low | 35.7 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -66.1 | 169.2 | 135.8 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 154 | P | 54.5 | Low | 35.8 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | cis | -147.8 | -173.2 | 24.6 | 39.5 | -16.6 | 0 | 0 | 0 | 117 | ||||
| 155 | A | 32 | Very low | 36.6 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | 110.4 | 122 | 150 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 156 | Y | 34.3 | Very low | 37.1 | Very low | 232 Ų | 232 | 136 Ų | 136 | 91% | 0.91 | 80% | 0.795 | S | S | * | * | trans | -79.2 | 147.3 | 153.8 | -82.6 | -85.5 | 0 | 0 | 0 | 108.9 | ||||
| 157 | P | 45.2 | Very low | 37.9 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | -151.8 | 167.8 | 91.2 | 37.3 | -18.4 | 0 | 0 | 0 | 115.7 | |||||
| 158 | G | 30.8 | Very low | 38.8 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 93.6 | 103.8 | 135.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 159 | S | 39.1 | Very low | 40.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -18.2 | 131.2 | 146.7 | 47.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 160 | E | 32.5 | Very low | 42.2 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | 175.5 | 124.2 | 107.9 | -96.1 | -165.4 | 153 | 0 | 0 | 113.7 | |||||
| 161 | I | 45.3 | Very low | 44.1 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | trans | 28.4 | 117.6 | 148 | 54.6 | 159.5 | 0 | 0 | 0 | 122.1 | ||||
| 162 | T | 31.6 | Very low | 46 | Very low | 145 Ų | 145 | 127 Ų | 127 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | -160.7 | 106.5 | 120.3 | 1.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 163 | L | 42.6 | Very low | 47.9 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | trans | 26.1 | 115 | 139.9 | -161.8 | 70.4 | 0 | 0 | 0 | 120.2 | ||||
| 164 | G | 33.6 | Very low | 49.8 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | trans | -172 | 36.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | G166 | G164-G166 PolarHBondContact O-N 2.8Š| ||
| 165 | R | 50.7 | Low | 50.6 | Low | 252 Ų | 252 | 125.7 Ų | 125.7 | 95% | 0.951 | 76% | 0.764 | S | S | * | * | trans | 40.8 | 75.9 | 151.6 | -157.6 | 173.3 | -171.8 | 167.1 | 1.3 | 117.8 | ||||
| 166 | G | 39.3 | Very low | 52.6 | Low | 73 Ų | 73 | 125.1 Ų | 125.1 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -102.5 | 128.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 110 | G164 A168 | G164-G166 PolarHBondContact O-N 2.8Å; G166-A168 PolarHBondContact O-N 2.91Å; G166-A168 VanDerWaalsContact O-N 3.07Å | ||
| 167 | S | 51.9 | Low | 54.5 | Low | 127 Ų | 127 | 120.9 Ų | 120.9 | 89% | 0.888 | 73% | 0.733 | S | S | * | * | trans | -48.4 | 106.8 | -175.6 | -163.1 | 0 | 0 | 0 | 0 | 112.5 | G169 | S167-G169 PolarHBondContact O-N 3.31Š| ||
| 168 | A | 52.6 | Low | 55.9 | Low | 89 Ų | 89 | 118.7 Ų | 118.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -68.4 | 110.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | G166 | G166-A168 PolarHBondContact O-N 2.91Å; G166-A168 VanDerWaalsContact O-N 3.07Å | ||
| 169 | G | 60.2 | Low | 58 | Low | 66 Ų | 66 | 120.6 Ų | 120.6 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 136.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | S167 | S167-G169 PolarHBondContact O-N 3.31Š|
| 170 | D | 73.1 | Confident | 59.2 | Low | 155 Ų | 155 | 116.7 Ų | 116.7 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.2 | 177.8 | -68.9 | -40.7 | 0 | 0 | 0 | 109.4 | ||
| 171 | P | 74.4 | Confident | 60.2 | Low | 107 Ų | 107 | 115.4 Ų | 115.4 | 70% | 0.695 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 150.2 | 173.7 | 26.8 | -33 | 0 | 0 | 0 | 109.2 | ||
| 172 | P | 70.9 | Confident | 60.9 | Low | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 141 | 175.1 | 24.6 | -33.3 | 0 | 0 | 0 | 109.6 | S174 | P172-S174 PolarHBondContact O-N 2.77Š|
| 173 | P | 74.3 | Confident | 61.8 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 53% | 0.532 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -58.1 | 142.5 | -176.1 | 23.7 | -33.3 | 0 | 0 | 0 | 110.2 | E177 | P173-E177 HydrophobicContact CB-CB 4.28Å; P173-E177 HydrophobicContact CB-CG 4.26Å |
| 174 | S | 76.6 | Confident | 62.2 | Low | 59 Ų | 59 | 110.1 Ų | 110.1 | 41% | 0.413 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 150.9 | 174.1 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | P172 E176 E177 A178 | P172-S174 PolarHBondContact O-N 2.77Å; S174-E176 PolarHBondContact O-N 3.12Å; S174-E176 VanDerWaalsContact O-N 3.08Å; S174-E176 WeakPolarHBondContact OG-CG 3.23Å; S174-E177 WeakPolarHBondContact O-CA 3.17Å; S174-E177 WeakPolarHBondContact O-CB 3.47Å; S174-E177 PolarHBondContact O-N 3.36Å; S174-A178 PolarHBondContact O-N 3.28Å |
| 175 | Y | 70.6 | Confident | 63 | Low | 163 Ų | 163 | 114.1 Ų | 114.1 | 64% | 0.639 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -53.5 | -35.9 | -179.5 | 77.6 | -86 | 0 | 0 | 0 | 111.9 | E177 A178 V179 | Y175-E177 VanDerWaalsContact C-N 3.33Å; Y175-E177 PolarHBondContact O-N 2.81Å; Y175-A178 PolarHBondContact O-N 3.42Å; Y175-V179 WeakPolarHBondContact O-CG1 3.37Å; Y175-V179 VanDerWaalsContact O-CG2 3.29Å; Y175-V179 WeakPolarHBondContact O-CG2 3.43Å; Y175-V179 PolarHBondContact O-N 2.79Å; Y175-V179 VanDerWaalsContact O-N 3.11Å |
| 176 | E | 75.3 | Confident | 63.3 | Low | 86 Ų | 86 | 108.2 Ų | 108.2 | 40% | 0.402 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -75.6 | -17.2 | -179.5 | 30.3 | -156.7 | 141.8 | 0 | 0 | 114 | S174 | S174-E176 PolarHBondContact O-N 3.12Å; S174-E176 VanDerWaalsContact O-N 3.08Å; S174-E176 WeakPolarHBondContact OG-CG 3.23Å |
| 177 | E | 74.5 | Confident | 63.8 | Low | 143 Ų | 143 | 112.3 Ų | 112.3 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.6 | -38 | 168.4 | -173.3 | 178.9 | 179 | 0 | 0 | 111.2 | P173 S174 Y175 G180 | P173-E177 HydrophobicContact CB-CB 4.28Å; P173-E177 HydrophobicContact CB-CG 4.26Å; S174-E177 WeakPolarHBondContact O-CA 3.17Å; S174-E177 WeakPolarHBondContact O-CB 3.47Å; S174-E177 PolarHBondContact O-N 3.36Å; Y175-E177 VanDerWaalsContact C-N 3.33Å; Y175-E177 PolarHBondContact O-N 2.81Å; E177-G180 PolarHBondContact O-N 3.45Å |
| 178 | A | 74.6 | Confident | 64.1 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.5 | -30.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S174 Y175 G180 | S174-A178 PolarHBondContact O-N 3.28Å; Y175-A178 PolarHBondContact O-N 3.42Å; A178-G180 VanDerWaalsContact C-N 3.35Å |
| 179 | V | 73.6 | Confident | 64.5 | Low | 108 Ų | 108 | 115.4 Ų | 115.4 | 66% | 0.655 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -85.2 | -11 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | Y175 | Y175-V179 WeakPolarHBondContact O-CG1 3.37Å; Y175-V179 VanDerWaalsContact O-CG2 3.29Å; Y175-V179 WeakPolarHBondContact O-CG2 3.43Å; Y175-V179 PolarHBondContact O-N 2.79Å; Y175-V179 VanDerWaalsContact O-N 3.11Å |
| 180 | G | 64.3 | Low | 65 | Low | 35 Ų | 35 | 116.8 Ų | 116.8 | 36% | 0.361 | 65% | 0.646 | S | S | . | * | trans | 66.8 | 137.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E177 A178 T182 | E177-G180 PolarHBondContact O-N 3.45Å; A178-G180 VanDerWaalsContact C-N 3.35Å; G180-T182 VanDerWaalsContact C-N 3.33Å; G180-T182 PolarHBondContact O-N 2.89Å | ||
| 181 | H | 53.8 | Low | 64.5 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | trans | -66.4 | 97.2 | 165.3 | -89.7 | 61.8 | 0 | 0 | 0 | 108.3 | D183 | H181-D183 PolarHBondContact O-N 3.01Š| ||
| 182 | T | 59.7 | Low | 63.9 | Low | 113 Ų | 113 | 114.3 Ų | 114.3 | 69% | 0.693 | 64% | 0.638 | S | S | * | * | trans | -77.6 | 81.8 | 161.4 | 57.1 | 0 | 0 | 0 | 0 | 107.3 | G180 V184 | G180-T182 VanDerWaalsContact C-N 3.33Å; G180-T182 PolarHBondContact O-N 2.89Å; T182-V184 PolarHBondContact O-N 3.34Å | ||
| 183 | D | 51.2 | Low | 63.9 | Low | 142 Ų | 142 | 114.3 Ų | 114.3 | 76% | 0.759 | 63% | 0.628 | S | S | * | * | trans | -71.9 | 44.1 | 158.5 | -65.2 | -29.7 | 0 | 0 | 0 | 109.7 | H181 Q185 | H181-D183 PolarHBondContact O-N 3.01Å; D183-Q185 VanDerWaalsContact C-N 3.29Å; D183-Q185 PolarHBondContact O-N 2.88Å | ||
| 184 | V | 51.9 | Low | 63.3 | Low | 100 Ų | 100 | 118.4 Ų | 118.4 | 61% | 0.606 | 63% | 0.634 | S | S | * | * | trans | -83.6 | 92.7 | 160.6 | -174.9 | 0 | 0 | 0 | 0 | 103.6 | T182 I186 | T182-V184 PolarHBondContact O-N 3.34Å; V184-I186 HydrophobicContact CB-CG1 4.4Å; V184-I186 HydrophobicContact CG1-CG1 3.8Å; V184-I186 PolarHBondContact O-N 2.77Å | ||
| 185 | Q | 50.1 | Low | 62.9 | Low | 159 Ų | 159 | 119.4 Ų | 119.4 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | trans | -56.8 | 93 | 155.4 | -175.6 | 163.1 | -40.9 | 0 | 0 | 105.6 | D183 E187 | D183-Q185 VanDerWaalsContact C-N 3.29Å; D183-Q185 PolarHBondContact O-N 2.88Å; Q185-E187 PolarHBondContact O-N 3.39Å | ||
| 186 | I | 55.6 | Low | 62.6 | Low | 127 Ų | 127 | 116.4 Ų | 116.4 | 65% | 0.651 | 63% | 0.627 | S | S | * | * | trans | -69.4 | 84.1 | 169.3 | -59 | 171.8 | 0 | 0 | 0 | 103.5 | V184 T188 | V184-I186 HydrophobicContact CB-CG1 4.4Å; V184-I186 HydrophobicContact CG1-CG1 3.8Å; V184-I186 PolarHBondContact O-N 2.77Å; I186-T188 PolarHBondContact O-N 3.15Å; I186-T188 PolarHBondContact O-OG1 3.34Å | ||
| 187 | E | 51.1 | Low | 62.1 | Low | 159 Ų | 159 | 117.3 Ų | 117.3 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -60.9 | 92.8 | 162.3 | -163.9 | 143.2 | 119.9 | 0 | 0 | 104.7 | Q185 E189 | Q185-E187 PolarHBondContact O-N 3.39Å; E187-E189 PolarHBondContact O-N 3.4Å | ||
| 188 | T | 57.8 | Low | 61.7 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -76.7 | 86.1 | -176.7 | -44.3 | 0 | 0 | 0 | 0 | 103.9 | I186 P190 | I186-T188 PolarHBondContact O-N 3.15Å; I186-T188 PolarHBondContact O-OG1 3.34Å; T188-P190 WeakPolarHBondContact O-CD 2.83Å | ||
| 189 | E | 60.1 | Low | 61.2 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 78% | 0.78 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.6 | 173 | -157 | -162 | -179.8 | 0 | 0 | 106.7 | E187 | E187-E189 PolarHBondContact O-N 3.4Š|
| 190 | P | 71.4 | Confident | 60.6 | Low | 95 Ų | 95 | 114 Ų | 114 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 142.3 | 176.9 | 22.7 | -32.7 | 0 | 0 | 0 | 109.2 | T188 | T188-P190 WeakPolarHBondContact O-CD 2.83Š|
| 191 | P | 62.1 | Low | 60.2 | Low | 114 Ų | 114 | 115.1 Ų | 115.1 | 74% | 0.74 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 139.7 | -179.3 | 22.9 | -32.8 | 0 | 0 | 0 | 109.9 | Q193 | P191-Q193 PolarHBondContact O-N 2.86Š|
| 192 | P | 62.5 | Low | 60.4 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 62% | 0.617 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 134.4 | -173.9 | 21.3 | -32.6 | 0 | 0 | 0 | 110.8 | I197 | P192-I197 HydrophobicContact CG-CD1 4.4Š|
| 193 | Q | 71.8 | Confident | 60.3 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.5 | 176.2 | -79.5 | -104.2 | 62.2 | 0 | 0 | 109.9 | P191 E195 D196 | P191-Q193 PolarHBondContact O-N 2.86Å; Q193-E195 HydrophobicContact CB-CG 3.96Å; Q193-E195 WeakPolarHBondContact CB-OE1 3.4Å; Q193-E195 PolarHBondContact NE2-OE1 2.92Å; Q193-E195 VanDerWaalsContact NE2-OE1 3.12Å; Q193-E195 PolarHBondContact O-N 2.76Å; Q193-E195 VanDerWaalsContact O-N 3.08Å; Q193-D196 PolarHBondContact O-N 3.22Å |
| 194 | Y | 60.7 | Low | 60.4 | Low | 168 Ų | 168 | 111.4 Ų | 111.4 | 66% | 0.659 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -59 | -30.2 | -172 | 99.7 | -82.1 | 0 | 0 | 0 | 112.2 | D196 I197 V198 | Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 2.78Å; Y194-I197 PolarHBondContact O-N 3.29Å; Y194-V198 HydrophobicContact CD2-CG2 3.96Å; Y194-V198 HydrophobicContact CE2-CG2 4.16Å; Y194-V198 WeakPolarHBondContact O-CG2 3.5Å; Y194-V198 PolarHBondContact O-N 3.06Å |
| 195 | E | 68.6 | Low | 60.4 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 37% | 0.374 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -60 | -32.9 | 177.9 | 53 | -116.4 | -163.9 | 0 | 0 | 114.1 | Q193 N199 | Q193-E195 HydrophobicContact CB-CG 3.96Å; Q193-E195 WeakPolarHBondContact CB-OE1 3.4Å; Q193-E195 PolarHBondContact NE2-OE1 2.92Å; Q193-E195 VanDerWaalsContact NE2-OE1 3.12Å; Q193-E195 PolarHBondContact O-N 2.76Å; Q193-E195 VanDerWaalsContact O-N 3.08Å; E195-N199 WeakPolarHBondContact O-CB 3.45Å; E195-N199 PolarHBondContact O-N 3.21Å |
| 196 | D | 64.2 | Low | 60.7 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -76.7 | -31.8 | -178.7 | -66.7 | -38.6 | 0 | 0 | 0 | 112.1 | Q193 Y194 S200 | Q193-D196 PolarHBondContact O-N 3.22Å; Y194-D196 VanDerWaalsContact C-N 3.29Å; Y194-D196 PolarHBondContact O-N 2.78Å; D196-S200 WeakPolarHBondContact O-CB 3.29Å; D196-S200 PolarHBondContact O-N 3.49Å |
| 197 | I | 64.5 | Low | 60.5 | Low | 106 Ų | 106 | 108 Ų | 108 | 54% | 0.544 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -69.1 | -41.6 | 175.7 | -54.1 | 172.1 | 0 | 0 | 0 | 109.7 | P192 Y194 S201 | P192-I197 HydrophobicContact CG-CD1 4.4Å; Y194-I197 PolarHBondContact O-N 3.29Å; I197-S201 PolarHBondContact O-N 3.11Å; I197-S201 VanDerWaalsContact O-N 3.14Å; I197-S201 PolarHBondContact O-OG 2.9Å |
| 198 | V | 65.6 | Low | 60.4 | Low | 68 Ų | 68 | 103.8 Ų | 103.8 | 41% | 0.412 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.3 | -41.3 | 178.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | Y194 S201 S202 | Y194-V198 HydrophobicContact CD2-CG2 3.96Å; Y194-V198 HydrophobicContact CE2-CG2 4.16Å; Y194-V198 WeakPolarHBondContact O-CG2 3.5Å; Y194-V198 PolarHBondContact O-N 3.06Å; V198-S201 PolarHBondContact O-N 3.32Å; V198-S201 PolarHBondContact O-OG 3.06Å; V198-S202 PolarHBondContact O-N 3.21Å; V198-S202 PolarHBondContact O-OG 2.92Å |
| 199 | N | 64 | Low | 60.2 | Low | 113 Ų | 113 | 107 Ų | 107 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.3 | -35.7 | 177.3 | -84.6 | -3.5 | 0 | 0 | 0 | 113.2 | E195 S201 S202 G203 | E195-N199 WeakPolarHBondContact O-CB 3.45Å; E195-N199 PolarHBondContact O-N 3.21Å; N199-S201 VanDerWaalsContact C-N 3.35Å; N199-S202 PolarHBondContact O-N 3.49Å; N199-G203 PolarHBondContact O-N 3.08Å |
| 200 | S | 61.4 | Low | 59.7 | Low | 76 Ų | 76 | 110.7 Ų | 110.7 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.1 | -34.9 | 176.5 | -164 | 0 | 0 | 0 | 0 | 112.1 | D196 R204 | D196-S200 WeakPolarHBondContact O-CB 3.29Å; D196-S200 PolarHBondContact O-N 3.49Å; S200-R204 PolarHBondContact O-N 3.07Å |
| 201 | S | 57.3 | Low | 58.3 | Low | 60 Ų | 60 | 119.8 Ų | 119.8 | 42% | 0.42 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.6 | -37.3 | 171.7 | 72.8 | 0 | 0 | 0 | 0 | 112.7 | I197 V198 N199 I205 | I197-S201 PolarHBondContact O-N 3.11Å; I197-S201 VanDerWaalsContact O-N 3.14Å; I197-S201 PolarHBondContact O-OG 2.9Å; V198-S201 PolarHBondContact O-N 3.32Å; V198-S201 PolarHBondContact O-OG 3.06Å; N199-S201 VanDerWaalsContact C-N 3.35Å; S201-I205 VanDerWaalsContact O-CG1 3.32Å; S201-I205 WeakPolarHBondContact O-CG1 3.39Å; S201-I205 PolarHBondContact O-N 3.42Å |
| 202 | S | 58 | Low | 58.1 | Low | 60 Ų | 60 | 120.1 Ų | 120.1 | 42% | 0.42 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.5 | -36.4 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | V198 N199 I205 S206 | V198-S202 PolarHBondContact O-N 3.21Å; V198-S202 PolarHBondContact O-OG 2.92Å; N199-S202 PolarHBondContact O-N 3.49Å; S202-I205 PolarHBondContact O-N 2.87Å; S202-S206 PolarHBondContact O-N 3.25Å |
| 203 | G | 56.2 | Low | 57.9 | Low | 49 Ų | 49 | 121.4 Ų | 121.4 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.4 | -34.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N199 I205 G207 | N199-G203 PolarHBondContact O-N 3.08Å; G203-I205 VanDerWaalsContact C-N 3.33Å; G203-G207 PolarHBondContact O-N 3.48Å |
| 204 | R | 53.2 | Low | 57.1 | Low | 211 Ų | 211 | 121.5 Ų | 121.5 | 80% | 0.796 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.7 | -27.4 | 173 | -81.7 | -173.4 | -173.6 | -160.7 | 1.8 | 113.3 | S200 | S200-R204 PolarHBondContact O-N 3.07Å |
| 205 | I | 53 | Low | 56.9 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -79.2 | -29.6 | 177.7 | -66 | 171.2 | 0 | 0 | 0 | 111.4 | S201 S202 G203 | S201-I205 VanDerWaalsContact O-CG1 3.32Å; S201-I205 WeakPolarHBondContact O-CG1 3.39Å; S201-I205 PolarHBondContact O-N 3.42Å; S202-I205 PolarHBondContact O-N 2.87Å; G203-I205 VanDerWaalsContact C-N 3.33Å |
| 206 | S | 54.7 | Low | 56.2 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 75% | 0.748 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -84.8 | -8.2 | 175.1 | -80.1 | 0 | 0 | 0 | 0 | 115.7 | S202 | S202-S206 PolarHBondContact O-N 3.25Å |
| 207 | G | 51.5 | Low | 55.6 | Low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | -10.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | G203 | G203-G207 PolarHBondContact O-N 3.48Š|
| 208 | G | 50.5 | Low | 55 | Low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -91.9 | 2.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 209 | Q | 53.2 | Low | 54.2 | Low | 183 Ų | 183 | 128.2 Ų | 128.2 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -138.7 | 89.2 | 173.9 | -90 | -164.4 | -65.2 | 0 | 0 | 110.7 | ||||
| 210 | R | 48.5 | Very low | 53.4 | Low | 244 Ų | 244 | 129.4 Ų | 129.4 | 92% | 0.921 | 71% | 0.714 | S | S | * | * | trans | -158.2 | 113.5 | 148.4 | -109.4 | 176.6 | -159.3 | -177.1 | 6.9 | 110.4 | ||||
| 211 | K | 42.6 | Very low | 52.6 | Low | 285 Ų | 285 | 134.3 Ų | 134.3 | 100% | 1.239 | 73% | 0.731 | S | S | * | * | trans | 79.1 | 0 | 171.5 | -69.4 | -177.8 | 174.5 | -178.9 | 0 | 117.1 |
Retrieved 211 of 211 residues in 308.2 ms
(Link to these results)