| 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 | 37.1 | Very low | 55 | Low | 242 Ų | 242 | 134.8 Ų | 134.8 | 100% | 1.192 | 65% | 0.648 | S | S | * | * | 0 | 123.2 | 0 | -71.3 | 166.3 | 101.1 | 0 | 0 | 108.3 | K3 | M1-K3 PolarHBondContact O-N 2.8Š| |||
| 2 | K | 44.9 | Very low | 55.9 | Low | 205 Ų | 205 | 133.2 Ų | 133.2 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 120.7 | 172.4 | -78.2 | -179.3 | 175.8 | 178.3 | 0 | 107.3 | I4 | K2-I4 PolarHBondContact O-N 3.04Å; K2-I4 VanDerWaalsContact O-N 3.15Å |
| 3 | K | 44.2 | Very low | 57.7 | Low | 203 Ų | 203 | 136.1 Ų | 136.1 | 88% | 0.883 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119 | 170.5 | -88.5 | -178.2 | 172.7 | -179.1 | 0 | 107.2 | M1 | M1-K3 PolarHBondContact O-N 2.8Š|
| 4 | I | 55.3 | Low | 59 | Low | 153 Ų | 153 | 129.1 Ų | 129.1 | 79% | 0.785 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.2 | 170.5 | -59.5 | 171.4 | 0 | 0 | 0 | 105.8 | K2 Q6 | K2-I4 PolarHBondContact O-N 3.04Å; K2-I4 VanDerWaalsContact O-N 3.15Å; I4-Q6 PolarHBondContact O-N 3.12Å |
| 5 | P | 52.1 | Low | 60.3 | Low | 103 Ų | 103 | 132.5 Ų | 132.5 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 126.4 | 175.7 | -21.4 | 30.9 | 0 | 0 | 0 | 109.4 | L7 | P5-L7 PolarHBondContact O-N 3.08Š|
| 6 | Q | 62.3 | Low | 61 | Low | 120 Ų | 120 | 134.2 Ų | 134.2 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119 | 171.9 | -80.6 | 177.2 | -43.3 | 0 | 0 | 108.4 | I4 Y8 E18 | I4-Q6 PolarHBondContact O-N 3.12Å; Q6-Y8 HydrophobicContact CB-CE2 3.8Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact OE1-OH 2.88Å; Q6-E18 PolarHBondContact NE2-OE1 3.43Å |
| 7 | L | 50.9 | Low | 61.5 | Low | 118 Ų | 118 | 130.7 Ų | 130.7 | 62% | 0.618 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 139.1 | 174.8 | -68.4 | 172.4 | 0 | 0 | 0 | 108.6 | P5 Y19 | P5-L7 PolarHBondContact O-N 3.08Å; L7-Y19 HydrophobicContact CB-CD1 4.49Å; L7-Y19 HydrophobicContact CB-CG 4.49Å; L7-Y19 WeakPolarHBondContact O-CB 3.48Å; L7-Y19 PolarHBondContact O-N 2.94Å |
| 8 | Y | 60.1 | Low | 61.7 | Low | 125 Ų | 125 | 129 Ų | 129 | 49% | 0.49 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.6 | 177 | -64.7 | -94.1 | 0 | 0 | 0 | 109.7 | Q6 E17 E18 | Q6-Y8 HydrophobicContact CB-CE2 3.8Å; Q6-Y8 WeakPolarHBondContact O-CD2 3.45Å; Q6-Y8 PolarHBondContact OE1-OH 2.88Å; Y8-E17 CarbonylContact C-O 3.59Å; Y8-E17 VanDerWaalsContact CA-O 3.24Å; Y8-E17 WeakPolarHBondContact CA-O 3.48Å; Y8-E18 HydrophobicContact CD1-CB 4.46Å; Y8-E18 HydrophobicContact CE1-CB 4.32Å |
| 9 | V | 65 | Low | 61.7 | Low | 42 Ų | 42 | 127 Ų | 127 | 26% | 0.255 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 143.6 | 175.8 | -72.2 | 0 | 0 | 0 | 0 | 110 | Y16 E17 Y19 | V9-Y16 WeakPolarHBondContact O-CA 3.42Å; V9-E17 HydrophobicContact CG2-CG 3.97Å; V9-E17 PolarHBondContact N-O 3.29Å; V9-E17 PolarHBondContact O-N 2.89Å; V9-Y19 HydrophobicContact CG1-CD2 3.71Å; V9-Y19 HydrophobicContact CG1-CG 4.38Å; V9-Y19 HydrophobicContact CG2-CD2 4.42Å |
| 10 | K | 66 | Low | 61.6 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.5 | 178.6 | -162 | 177.4 | -170.4 | 175.9 | 0 | 109 | G14 R15 Y16 | K10-G14 WeakPolarHBondContact CE-O 3.49Å; K10-R15 CarbonylContact C-O 3.25Å; K10-R15 WeakPolarHBondContact CA-O 3.36Å; K10-Y16 HydrophobicContact CB-CD1 4.2Å; K10-Y16 HydrophobicContact CB-CE1 3.96Å; K10-Y16 HydrophobicContact CD-CE2 4.29Å; K10-Y16 HydrophobicContact CG-CE1 4.41Å; K10-Y16 HydrophobicContact CG-CE2 4.39Å |
| 11 | N | 66.7 | Low | 61.3 | Low | 41 Ų | 41 | 129.3 Ų | 129.3 | 22% | 0.219 | 62% | 0.618 | C | S | . | * | trans | -79.1 | 175.9 | 178.4 | 68.2 | 25.9 | 0 | 0 | 0 | 112.4 | K13 G14 R15 E17 | N11-K13 PolarHBondContact O-N 3.02Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.13Å; N11-K13 WeakPolarHBondContact OD1-CB 3.22Å; N11-K13 PolarHBondContact OD1-N 3.28Å; N11-G14 WeakPolarHBondContact O-CA 3.23Å; N11-G14 PolarHBondContact O-N 3.1Å; N11-G14 PolarHBondContact OD1-N 3.37Å; N11-R15 VanDerWaalsContact CG-O 3.28Å; N11-R15 PolarHBondContact N-O 2.9Å; N11-R15 PolarHBondContact OD1-N 3.03Å; N11-R15 PolarHBondContact OD1-O 3.2Å; N11-E17 HydrophobicContact CB-CG 4.46Å; N11-E17 PolarHBondContact ND2-OE2 2.98Å | ||
| 12 | S | 65.7 | Low | 62 | Low | 115 Ų | 115 | 120 Ų | 120 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -16.7 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | G14 | S12-G14 VanDerWaalsContact C-N 3.29Š|
| 13 | K | 79.8 | Confident | 61.9 | Low | 171 Ų | 171 | 118.9 Ų | 118.9 | 74% | 0.743 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 7.8 | 173.6 | -59.8 | -176.3 | -179.6 | 179.9 | 0 | 112.3 | N11 R15 | N11-K13 PolarHBondContact O-N 3.02Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.13Å; N11-K13 WeakPolarHBondContact OD1-CB 3.22Å; N11-K13 PolarHBondContact OD1-N 3.28Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 3.32Å |
| 14 | G | 76 | Confident | 61.9 | Low | 38 Ų | 38 | 114.4 Ų | 114.4 | 39% | 0.392 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 75 | 9.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K10 N11 S12 | K10-G14 WeakPolarHBondContact CE-O 3.49Å; N11-G14 WeakPolarHBondContact O-CA 3.23Å; N11-G14 PolarHBondContact O-N 3.1Å; N11-G14 PolarHBondContact OD1-N 3.37Å; S12-G14 VanDerWaalsContact C-N 3.29Å |
| 15 | R | 78.5 | Confident | 61.5 | Low | 180 Ų | 180 | 113 Ų | 113 | 68% | 0.679 | 55% | 0.55 | S | S | * | . | trans | -94.8 | 145.8 | 179.8 | -59.2 | -178.8 | -177.9 | -178.8 | -1.5 | 110.3 | K10 N11 K13 | K10-R15 CarbonylContact C-O 3.25Å; K10-R15 WeakPolarHBondContact CA-O 3.36Å; N11-R15 VanDerWaalsContact CG-O 3.28Å; N11-R15 PolarHBondContact N-O 2.9Å; N11-R15 PolarHBondContact OD1-N 3.03Å; N11-R15 PolarHBondContact OD1-O 3.2Å; K13-R15 VanDerWaalsContact C-N 3.27Å; K13-R15 PolarHBondContact O-N 3.32Å | ||
| 16 | Y | 72 | Confident | 61.2 | Low | 160 Ų | 160 | 113 Ų | 113 | 63% | 0.627 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128 | 174.7 | -72 | -87.7 | 0 | 0 | 0 | 110.3 | V9 K10 | V9-Y16 WeakPolarHBondContact O-CA 3.42Å; K10-Y16 HydrophobicContact CB-CD1 4.2Å; K10-Y16 HydrophobicContact CB-CE1 3.96Å; K10-Y16 HydrophobicContact CD-CE2 4.29Å; K10-Y16 HydrophobicContact CG-CE1 4.41Å; K10-Y16 HydrophobicContact CG-CE2 4.39Å |
| 17 | E | 69 | Low | 60.5 | Low | 75 Ų | 75 | 111 Ų | 111 | 35% | 0.35 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.6 | 175.8 | 62.8 | -165.2 | -171.2 | 0 | 0 | 110.2 | Y8 V9 N11 Y19 | Y8-E17 CarbonylContact C-O 3.59Å; Y8-E17 VanDerWaalsContact CA-O 3.24Å; Y8-E17 WeakPolarHBondContact CA-O 3.48Å; V9-E17 HydrophobicContact CG2-CG 3.97Å; V9-E17 PolarHBondContact N-O 3.29Å; V9-E17 PolarHBondContact O-N 2.89Å; N11-E17 HydrophobicContact CB-CG 4.46Å; N11-E17 PolarHBondContact ND2-OE2 2.98Å; E17-Y19 PolarHBondContact O-N 2.83Å |
| 18 | E | 64.7 | Low | 60.3 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 130.1 | -179.9 | -172.4 | 173.8 | -159.8 | 0 | 0 | 110.1 | Q6 Y8 K20 | Q6-E18 PolarHBondContact NE2-OE1 3.43Å; Y8-E18 HydrophobicContact CD1-CB 4.46Å; Y8-E18 HydrophobicContact CE1-CB 4.32Å; E18-K20 PolarHBondContact O-N 3.43Å |
| 19 | Y | 62 | Low | 59.5 | Low | 91 Ų | 91 | 108.4 Ų | 108.4 | 36% | 0.357 | 54% | 0.54 | S | S | . | . | trans | -69.7 | 114.4 | 178.3 | 177.4 | -103.2 | 0 | 0 | 0 | 109.9 | L7 V9 E17 I21 | L7-Y19 HydrophobicContact CB-CD1 4.49Å; L7-Y19 HydrophobicContact CB-CG 4.49Å; L7-Y19 WeakPolarHBondContact O-CB 3.48Å; L7-Y19 PolarHBondContact O-N 2.94Å; V9-Y19 HydrophobicContact CG1-CD2 3.71Å; V9-Y19 HydrophobicContact CG1-CG 4.38Å; V9-Y19 HydrophobicContact CG2-CD2 4.42Å; E17-Y19 PolarHBondContact O-N 2.83Å; Y19-I21 HydrophobicContact CE1-CG1 4.1Å | ||
| 20 | K | 59 | Low | 58.8 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 70% | 0.704 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -91.5 | 123.2 | 172.1 | -61.4 | -170.7 | -178.2 | -172.7 | 0 | 109.2 | E18 P22 | E18-K20 PolarHBondContact O-N 3.43Å; K20-P22 WeakPolarHBondContact O-CD 3.29Å |
| 21 | I | 56.9 | Low | 57.8 | Low | 141 Ų | 141 | 106.4 Ų | 106.4 | 72% | 0.723 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 123.5 | 168.4 | -60.7 | 174 | 0 | 0 | 0 | 106.8 | Y19 E23 | Y19-I21 HydrophobicContact CE1-CG1 4.1Å; I21-E23 PolarHBondContact O-N 3.09Å |
| 22 | P | 50.1 | Low | 57.2 | Low | 46 Ų | 46 | 105 Ų | 105 | 30% | 0.299 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 123.4 | 177.5 | -25.3 | 34.3 | 0 | 0 | 0 | 111.1 | K20 H24 K33 V34 | K20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 2.85Å; P22-H24 VanDerWaalsContact O-N 3.08Å; P22-K33 WeakPolarHBondContact CB-O 3.46Å; P22-V34 HydrophobicContact CG-CG2 4.07Å |
| 23 | E | 43.1 | Very low | 56.3 | Low | 182 Ų | 182 | 103.6 Ų | 103.6 | 85% | 0.85 | 50% | 0.501 | S | S | * | . | trans | -77.5 | 80.8 | 168.2 | -72.7 | -179 | -178.4 | 0 | 0 | 108.8 | I21 | I21-E23 PolarHBondContact O-N 3.09Š| ||
| 24 | H | 44.4 | Very low | 54.9 | Low | 109 Ų | 109 | 97.2 Ų | 97.2 | 51% | 0.505 | 48% | 0.476 | S | S | . | . | trans | -145.5 | 129.9 | 165.9 | -79.2 | -55.1 | 0 | 0 | 0 | 111.5 | P22 I26 | P22-H24 VanDerWaalsContact C-N 3.31Å; P22-H24 PolarHBondContact O-N 2.85Å; P22-H24 VanDerWaalsContact O-N 3.08Å; H24-I26 WeakPolarHBondContact O-CG2 3.38Å; H24-I26 PolarHBondContact O-N 2.83Å | ||
| 25 | D | 46.4 | Very low | 53.7 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 66% | 0.658 | 48% | 0.481 | S | S | * | . | trans | -62.3 | 95.9 | 164.2 | -178.1 | 2 | 0 | 0 | 0 | 108.8 | S27 | D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.2Å; D25-S27 PolarHBondContact OD1-N 2.96Å; D25-S27 PolarHBondContact OD1-OG 3.13Å | ||
| 26 | I | 46.2 | Very low | 52.4 | Low | 102 Ų | 102 | 93.9 Ų | 93.9 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 0.8 | -177.3 | 56.9 | 173.9 | 0 | 0 | 0 | 113.2 | H24 N28 V41 | H24-I26 WeakPolarHBondContact O-CG2 3.38Å; H24-I26 PolarHBondContact O-N 2.83Å; I26-N28 PolarHBondContact O-N 3.35Å; I26-V41 HydrophobicContact CB-CG1 4.5Å; I26-V41 HydrophobicContact CG2-CG2 4.38Å |
| 27 | S | 49 | Very low | 51.3 | Low | 79 Ų | 79 | 94.7 Ų | 94.7 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -32.2 | -176.3 | 60.3 | 0 | 0 | 0 | 0 | 113 | D25 | D25-S27 PolarHBondContact O-N 3.05Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.2Å; D25-S27 PolarHBondContact OD1-N 2.96Å; D25-S27 PolarHBondContact OD1-OG 3.13Å |
| 28 | N | 44.8 | Very low | 50.5 | Low | 128 Ų | 128 | 98.3 Ų | 98.3 | 68% | 0.684 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -122.1 | 8.2 | -173.7 | -70.3 | -38.9 | 0 | 0 | 0 | 114.8 | I26 Y70 | I26-N28 PolarHBondContact O-N 3.35Å; N28-Y70 PolarHBondContact O-OH 3.32Å |
| 29 | T | 44.8 | Very low | 49.6 | Very low | 61 Ų | 61 | 97.7 Ų | 97.7 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | trans | -118.9 | 129.1 | -176.6 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | Y31 | T29-Y31 PolarHBondContact O-N 3.22Š| ||
| 30 | L | 49.6 | Very low | 49.1 | Very low | 27 Ų | 27 | 96.3 Ų | 96.3 | 14% | 0.141 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -69.3 | -12.9 | 170.1 | -69.1 | -163.5 | 0 | 0 | 0 | 113.4 | P40 V41 I66 Y70 L71 F75 | L30-P40 CarbonylContact O-C 3.45Å; L30-P40 VanDerWaalsContact O-C 3.25Å; L30-P40 WeakPolarHBondContact O-CA 3.4Å; L30-V41 PolarHBondContact O-N 2.75Å; L30-I66 HydrophobicContact CD1-CD1 3.82Å; L30-I66 HydrophobicContact CD2-CD1 3.21Å; L30-I66 HydrophobicContact CG-CD1 4.15Å; L30-Y70 HydrophobicContact CD1-CE1 3.96Å; L30-Y70 HydrophobicContact CD2-CD1 4.38Å; L30-Y70 HydrophobicContact CD2-CE1 3.6Å; L30-Y70 HydrophobicContact CG-CE1 3.69Å; L30-L71 HydrophobicContact CD1-CD2 3.57Å; L30-F75 HydrophobicContact CB-CE2 4.36Å; L30-F75 HydrophobicContact CB-CZ 3.95Å; L30-F75 HydrophobicContact CD1-CD2 3.83Å; L30-F75 HydrophobicContact CD1-CE1 4.46Å; L30-F75 HydrophobicContact CD1-CE2 3.1Å; L30-F75 HydrophobicContact CD1-CZ 3.49Å; L30-F75 VanDerWaalsContact CD1-CZ 3.49Å; L30-F75 HydrophobicContact CG-CE2 3.63Å; L30-F75 HydrophobicContact CG-CZ 3.71Å |
| 31 | Y | 46.1 | Very low | 48.8 | Very low | 104 Ų | 104 | 90.8 Ų | 90.8 | 41% | 0.408 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.5 | -177.6 | -64.4 | -98.7 | 0 | 0 | 0 | 110.6 | T29 E39 P40 F75 | T29-Y31 PolarHBondContact O-N 3.22Å; Y31-E39 CarbonylContact C-O 3.56Å; Y31-E39 WeakPolarHBondContact CA-O 3.05Å; Y31-P40 HydrophobicContact CD1-CB 4.41Å; Y31-P40 HydrophobicContact CD1-CG 3.99Å; Y31-P40 HydrophobicContact CE1-CB 4.3Å; Y31-P40 HydrophobicContact CE1-CG 3.59Å; Y31-F75 HydrophobicContact CE2-CE1 4.28Å |
| 32 | G | 52.3 | Low | 48.6 | Very low | 10 Ų | 10 | 86.3 Ų | 86.3 | 10% | 0.103 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V34 E39 | G32-V34 PolarHBondContact O-N 3.38Å; G32-E39 PolarHBondContact N-O 2.86Å; G32-E39 PolarHBondContact O-N 3.5Å |
| 33 | K | 46.7 | Very low | 48.5 | Very low | 86 Ų | 86 | 89 Ų | 89 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 104.3 | 173.2 | -167.5 | 175 | -177.1 | 174.2 | 0 | 109.9 | P22 R37 Y38 | P22-K33 WeakPolarHBondContact CB-O 3.46Å; K33-R37 CarbonylContact C-O 3.48Å; K33-R37 VanDerWaalsContact CA-O 3.29Å; K33-R37 WeakPolarHBondContact CA-O 3.47Å; K33-Y38 HydrophobicContact CB-CD1 4.37Å; K33-Y38 HydrophobicContact CB-CE1 4.21Å |
| 34 | V | 51.9 | Low | 48.7 | Very low | 38 Ų | 38 | 91.2 Ų | 91.2 | 23% | 0.23 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.1 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | P22 G32 G36 R37 | P22-V34 HydrophobicContact CG-CG2 4.07Å; G32-V34 PolarHBondContact O-N 3.38Å; V34-G36 PolarHBondContact O-N 3.42Å; V34-G36 VanDerWaalsContact O-N 3.09Å; V34-R37 PolarHBondContact N-O 2.91Å; V34-R37 PolarHBondContact O-N 3.31Å |
| 35 | N | 49.2 | Very low | 48.8 | Very low | 92 Ų | 92 | 89.7 Ų | 89.7 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 42.6 | 179.2 | -63.9 | -20.8 | 0 | 0 | 0 | 114.1 | R37 | N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 3.07Å |
| 36 | G | 53.1 | Low | 48.7 | Very low | 55 Ų | 55 | 88.7 Ų | 88.7 | 57% | 0.567 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | -2.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V34 | V34-G36 PolarHBondContact O-N 3.42Å; V34-G36 VanDerWaalsContact O-N 3.09Å |
| 37 | R | 48.1 | Very low | 48.7 | Very low | 177 Ų | 177 | 91.6 Ų | 91.6 | 67% | 0.668 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 143.6 | 178 | -61.8 | -179 | 179.7 | -172.7 | -2.9 | 110.9 | K33 V34 N35 | K33-R37 CarbonylContact C-O 3.48Å; K33-R37 VanDerWaalsContact CA-O 3.29Å; K33-R37 WeakPolarHBondContact CA-O 3.47Å; V34-R37 PolarHBondContact N-O 2.91Å; V34-R37 PolarHBondContact O-N 3.31Å; N35-R37 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 3.07Å |
| 38 | Y | 51.6 | Low | 48.8 | Very low | 152 Ų | 152 | 96.9 Ų | 96.9 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121 | 175 | -73.7 | -82.6 | 0 | 0 | 0 | 109.7 | K33 | K33-Y38 HydrophobicContact CB-CD1 4.37Å; K33-Y38 HydrophobicContact CB-CE1 4.21Å |
| 39 | E | 46.8 | Very low | 49.3 | Very low | 86 Ų | 86 | 94.1 Ų | 94.1 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.2 | 177.7 | -65.8 | -168.9 | -164.3 | 0 | 0 | 110.9 | Y31 G32 R59 | Y31-E39 CarbonylContact C-O 3.56Å; Y31-E39 WeakPolarHBondContact CA-O 3.05Å; G32-E39 PolarHBondContact N-O 2.86Å; G32-E39 PolarHBondContact O-N 3.5Å; E39-R59 IonicContact OE2-NH1 3.7Å |
| 40 | P | 50.7 | Low | 49.9 | Very low | 62 Ų | 62 | 96 Ų | 96 | 40% | 0.403 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 142.3 | 179.5 | -15.8 | 14.1 | 0 | 0 | 0 | 115.5 | L30 Y31 R59 | L30-P40 CarbonylContact O-C 3.45Å; L30-P40 VanDerWaalsContact O-C 3.25Å; L30-P40 WeakPolarHBondContact O-CA 3.4Å; Y31-P40 HydrophobicContact CD1-CB 4.41Å; Y31-P40 HydrophobicContact CD1-CG 3.99Å; Y31-P40 HydrophobicContact CE1-CB 4.3Å; Y31-P40 HydrophobicContact CE1-CG 3.59Å; P40-R59 VanDerWaalsContact C-NH2 3.27Å; P40-R59 PolarHBondContact O-NH2 2.69Å |
| 41 | V | 52.7 | Low | 50.1 | Low | 46 Ų | 46 | 104.2 Ų | 104.2 | 28% | 0.279 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 119 | 176.7 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | I26 L30 | I26-V41 HydrophobicContact CB-CG1 4.5Å; I26-V41 HydrophobicContact CG2-CG2 4.38Å; L30-V41 PolarHBondContact O-N 2.75Å |
| 42 | C | 52.9 | Low | 50.8 | Low | 47 Ų | 47 | 101.6 Ų | 101.6 | 32% | 0.318 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 131.4 | 173 | 70.3 | 0 | 0 | 0 | 0 | 109.7 | R44 I62 | C42-R44 PolarHBondContact O-N 3.05Å; C42-I62 HydrophobicContact CB-CG2 3.7Å; C42-I62 VanDerWaalsContact SG-CG2 3.52Å |
| 43 | M | 48.4 | Very low | 50.9 | Low | 103 Ų | 103 | 104.1 Ų | 104.1 | 51% | 0.507 | 53% | 0.531 | S | S | . | . | trans | -73.1 | 115.9 | 163.6 | -77.3 | -171.4 | -72.7 | 0 | 0 | 108.2 | I45 I66 | M43-I45 PolarHBondContact O-N 2.68Å; M43-I66 HydrophobicContact CE-CB 4.02Å; M43-I66 HydrophobicContact CE-CD1 4.29Å; M43-I66 HydrophobicContact CE-CG1 3.75Å | ||
| 44 | R | 47.1 | Very low | 51.5 | Low | 229 Ų | 229 | 103.1 Ų | 103.1 | 86% | 0.864 | 53% | 0.525 | S | S | * | . | trans | -66.5 | 114.3 | 162.4 | -105.6 | -178.9 | -176 | 169.7 | 1.5 | 106.9 | C42 C46 | C42-R44 PolarHBondContact O-N 3.05Å; R44-C46 PolarHBondContact O-N 3Å | ||
| 45 | I | 45.4 | Very low | 51.7 | Low | 77 Ų | 77 | 102.4 Ų | 102.4 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | trans | -79.6 | 112.7 | 172.3 | -57.7 | 165.4 | 0 | 0 | 0 | 107.9 | M43 H47 L49 V65 | M43-I45 PolarHBondContact O-N 2.68Å; I45-H47 WeakPolarHBondContact CG2-O 3.38Å; I45-L49 HydrophobicContact CD1-CD1 4.17Å; I45-L49 HydrophobicContact CD1-CD2 3.67Å; I45-L49 HydrophobicContact CD1-CG 4.21Å; I45-L49 HydrophobicContact CG1-CD2 4.26Å; I45-L49 HydrophobicContact CG2-CD2 4.28Å; I45-V65 HydrophobicContact CD1-CB 3.43Å; I45-V65 VanDerWaalsContact CD1-CB 3.43Å; I45-V65 HydrophobicContact CD1-CG1 4.15Å; I45-V65 HydrophobicContact CD1-CG2 3.63Å; I45-V65 HydrophobicContact CG1-CB 4.39Å | ||
| 46 | C | 45.7 | Very low | 52.1 | Low | 102 Ų | 102 | 102.1 Ų | 102.1 | 69% | 0.689 | 52% | 0.522 | S | S | * | . | trans | -104.1 | 6 | 171.2 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | R44 | R44-C46 PolarHBondContact O-N 3Š| ||
| 47 | H | 45.8 | Very low | 52.3 | Low | 163 Ų | 163 | 102.7 Ų | 102.7 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -140.6 | 163.2 | -174 | -59.6 | -62 | 0 | 0 | 0 | 111.8 | I45 | I45-H47 WeakPolarHBondContact CG2-O 3.38Š|
| 48 | E | 51.2 | Low | 52.3 | Low | 190 Ų | 190 | 103.1 Ų | 103.1 | 89% | 0.888 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 145.5 | 175.9 | -67.6 | 179.7 | 173.9 | 0 | 0 | 111.4 | ||
| 49 | L | 55.3 | Low | 52.4 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 37% | 0.366 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 122 | 177.5 | -69.2 | 169.6 | 0 | 0 | 0 | 109.7 | I45 W54 | I45-L49 HydrophobicContact CD1-CD1 4.17Å; I45-L49 HydrophobicContact CD1-CD2 3.67Å; I45-L49 HydrophobicContact CD1-CG 4.21Å; I45-L49 HydrophobicContact CG1-CD2 4.26Å; I45-L49 HydrophobicContact CG2-CD2 4.28Å; L49-W54 HydrophobicContact CB-CZ2 4.16Å; L49-W54 HydrophobicContact CD2-CD2 3.91Å; L49-W54 HydrophobicContact CD2-CE3 3.87Å; L49-W54 HydrophobicContact CD2-CH2 3.6Å; L49-W54 HydrophobicContact CD2-CZ2 3.63Å; L49-W54 HydrophobicContact CD2-CZ3 3.71Å; L49-W54 HydrophobicContact CG-CZ2 4.5Å |
| 50 | D | 56.4 | Low | 52.4 | Low | 101 Ų | 101 | 102.6 Ų | 102.6 | 54% | 0.54 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 154.8 | 167.4 | -61.6 | -27.6 | 0 | 0 | 0 | 111.2 | G52 W54 R67 | D50-G52 PolarHBondContact O-N 2.73Å; D50-W54 PolarHBondContact O-NE1 2.76Å; D50-R67 VanDerWaalsContact CB-NH2 3.34Å; D50-R67 IonicContact OD2-CZ 3.2Å; D50-R67 IonicContact OD2-NH1 3.95Å; D50-R67 IonicContact OD2-NH2 3.84Å; D50-R67 PolarHBondContact OD2-NH2 3.42Å |
| 51 | E | 55.3 | Low | 52.4 | Low | 198 Ų | 198 | 104.8 Ų | 104.8 | 93% | 0.925 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -56 | 132.9 | 171.1 | -168.4 | 175.3 | -178.1 | 0 | 0 | 110.9 | ||
| 52 | G | 60.3 | Low | 52.3 | Low | 49 Ų | 49 | 105.9 Ų | 105.9 | 51% | 0.505 | 55% | 0.554 | S | S | . | * | S | Bend | trans | 161.5 | -179.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D50 W54 | D50-G52 PolarHBondContact O-N 2.73Å; G52-W54 VanDerWaalsContact O-CD1 3.29Å |
| 53 | V | 54.6 | Low | 52.2 | Low | 64 Ų | 64 | 108 Ų | 108 | 39% | 0.388 | 57% | 0.568 | S | S | . | * | trans | -86.3 | 125.2 | 172.7 | -179 | 0 | 0 | 0 | 0 | 108.3 | G68 I83 | V53-G68 WeakPolarHBondContact O-CA 3.37Å; V53-G68 PolarHBondContact O-N 2.88Å; V53-I83 HydrophobicContact CG1-CG2 4.39Å | ||
| 54 | W | 58.7 | Low | 52.8 | Low | 65 Ų | 65 | 103.2 Ų | 103.2 | 25% | 0.246 | 55% | 0.545 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143.6 | 180 | -63.9 | 94.7 | 0 | 0 | 0 | 110.1 | L49 D50 G52 V65 I66 R67 | L49-W54 HydrophobicContact CB-CZ2 4.16Å; L49-W54 HydrophobicContact CD2-CD2 3.91Å; L49-W54 HydrophobicContact CD2-CE3 3.87Å; L49-W54 HydrophobicContact CD2-CH2 3.6Å; L49-W54 HydrophobicContact CD2-CZ2 3.63Å; L49-W54 HydrophobicContact CD2-CZ3 3.71Å; L49-W54 HydrophobicContact CG-CZ2 4.5Å; D50-W54 PolarHBondContact O-NE1 2.76Å; G52-W54 VanDerWaalsContact O-CD1 3.29Å; W54-V65 HydrophobicContact CB-CG1 3.79Å; W54-V65 HydrophobicContact CD2-CG1 4.34Å; W54-V65 HydrophobicContact CE3-CG1 3.96Å; W54-V65 HydrophobicContact CG-CG1 4.32Å; W54-I66 CarbonylContact C-O 3.57Å; W54-I66 WeakPolarHBondContact CA-O 3.39Å; W54-R67 HydrophobicContact CD2-CG 4.42Å; W54-R67 HydrophobicContact CE3-CB 4.08Å; W54-R67 HydrophobicContact CE3-CG 4.21Å; W54-R67 HydrophobicContact CH2-CB 4.32Å; W54-R67 HydrophobicContact CH2-CG 4.06Å; W54-R67 HydrophobicContact CZ2-CG 4.26Å; W54-R67 HydrophobicContact CZ3-CB 3.86Å; W54-R67 HydrophobicContact CZ3-CG 4.04Å |
| 55 | V | 55.7 | Low | 53.4 | Low | 22 Ų | 22 | 93.6 Ų | 93.6 | 13% | 0.133 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.9 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | V65 I66 L71 I83 | V55-V65 CarbonylContact O-C 3.59Å; V55-V65 WeakPolarHBondContact O-CA 3.43Å; V55-I66 HydrophobicContact CB-CG2 3.89Å; V55-I66 HydrophobicContact CG1-CG2 4.48Å; V55-I66 PolarHBondContact N-O 3.39Å; V55-I66 WeakPolarHBondContact O-CG2 3.24Å; V55-I66 PolarHBondContact O-N 3.36Å; V55-L71 HydrophobicContact CB-CD1 3.71Å; V55-L71 HydrophobicContact CG1-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD1 3.58Å; V55-I83 HydrophobicContact CG1-CG1 4.27Å; V55-I83 HydrophobicContact CG2-CD1 3.39Å; V55-I83 HydrophobicContact CG2-CG1 3.75Å; V55-I83 HydrophobicContact CG2-CG2 4.15Å |
| 56 | V | 58.5 | Low | 54.2 | Low | 87 Ų | 87 | 90.5 Ų | 90.5 | 53% | 0.527 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.7 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | C63 G64 V65 | V56-C63 WeakPolarHBondContact CG1-SG 3.49Å; V56-G64 CarbonylContact C-O 3.51Å; V56-V65 HydrophobicContact CG2-CG2 4.29Å |
| 57 | T | 57 | Low | 54.9 | Low | 66 Ų | 66 | 89.9 Ų | 89.9 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.4 | 170.9 | 61.6 | 0 | 0 | 0 | 0 | 109.1 | G64 I66 | T57-G64 PolarHBondContact N-O 2.74Å; T57-G64 PolarHBondContact O-N 2.84Å; T57-G64 PolarHBondContact OG1-O 3.39Å; T57-I66 HydrophobicContact CG2-CG2 4.09Å |
| 58 | K | 49.1 | Very low | 55.6 | Low | 187 Ų | 187 | 82.4 Ų | 82.4 | 81% | 0.813 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.5 | 177.8 | -171.9 | 177.7 | 179.5 | 179.7 | 0 | 110.5 | ||
| 59 | R | 52.6 | Low | 56 | Low | 82 Ų | 82 | 75.8 Ų | 75.8 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 161.1 | 161.8 | -67.3 | -168.9 | 179.5 | -174.6 | 7 | 109.5 | E39 P40 S61 I62 | E39-R59 IonicContact OE2-NH1 3.7Å; P40-R59 VanDerWaalsContact C-NH2 3.27Å; P40-R59 PolarHBondContact O-NH2 2.69Å; R59-S61 PolarHBondContact O-N 2.82Å; R59-I62 HydrophobicContact CB-CB 4.27Å; R59-I62 PolarHBondContact N-O 2.88Å; R59-I62 PolarHBondContact O-N 3.25Å; R59-I62 VanDerWaalsContact O-O 3.13Å |
| 60 | P | 46.1 | Very low | 56.2 | Low | 145 Ų | 145 | 76 Ų | 76 | 94% | 0.942 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -29.3 | 178.6 | -29.8 | 36.2 | 0 | 0 | 0 | 114.9 | ||
| 61 | S | 52.2 | Low | 56.1 | Low | 108 Ų | 108 | 72 Ų | 72 | 76% | 0.755 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | -2.6 | -177.8 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | R59 | R59-S61 PolarHBondContact O-N 2.82Š|
| 62 | I | 49.5 | Very low | 56 | Low | 69 Ų | 69 | 68.3 Ų | 68.3 | 35% | 0.354 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 128.7 | -171.4 | -60.1 | 178.2 | 0 | 0 | 0 | 110 | C42 R59 | C42-I62 HydrophobicContact CB-CG2 3.7Å; C42-I62 VanDerWaalsContact SG-CG2 3.52Å; R59-I62 HydrophobicContact CB-CB 4.27Å; R59-I62 PolarHBondContact N-O 2.88Å; R59-I62 PolarHBondContact O-N 3.25Å; R59-I62 VanDerWaalsContact O-O 3.13Å |
| 63 | C | 52 | Low | 56.1 | Low | 92 Ų | 92 | 72.7 Ų | 72.7 | 62% | 0.622 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 117 | 163.6 | -169.2 | 0 | 0 | 0 | 0 | 107.4 | V56 | V56-C63 WeakPolarHBondContact CG1-SG 3.49Å |
| 64 | G | 60.6 | Low | 56.2 | Low | 2 Ų | 2 | 72.3 Ų | 72.3 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V56 T57 | V56-G64 CarbonylContact C-O 3.51Å; T57-G64 PolarHBondContact N-O 2.74Å; T57-G64 PolarHBondContact O-N 2.84Å; T57-G64 PolarHBondContact OG1-O 3.39Å |
| 65 | V | 59.5 | Low | 55.9 | Low | 26 Ų | 26 | 73 Ų | 73 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.9 | 178.6 | -172.7 | 0 | 0 | 0 | 0 | 108.6 | I45 W54 V55 V56 | I45-V65 HydrophobicContact CD1-CB 3.43Å; I45-V65 VanDerWaalsContact CD1-CB 3.43Å; I45-V65 HydrophobicContact CD1-CG1 4.15Å; I45-V65 HydrophobicContact CD1-CG2 3.63Å; I45-V65 HydrophobicContact CG1-CB 4.39Å; W54-V65 HydrophobicContact CB-CG1 3.79Å; W54-V65 HydrophobicContact CD2-CG1 4.34Å; W54-V65 HydrophobicContact CE3-CG1 3.96Å; W54-V65 HydrophobicContact CG-CG1 4.32Å; V55-V65 CarbonylContact O-C 3.59Å; V55-V65 WeakPolarHBondContact O-CA 3.43Å; V56-V65 HydrophobicContact CG2-CG2 4.29Å |
| 66 | I | 63 | Low | 56 | Low | 12 Ų | 12 | 79.3 Ų | 79.3 | 6% | 0.062 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.8 | -176.3 | 179 | 160.5 | 0 | 0 | 0 | 110.8 | L30 M43 W54 V55 T57 G68 Y70 L71 | L30-I66 HydrophobicContact CD1-CD1 3.82Å; L30-I66 HydrophobicContact CD2-CD1 3.21Å; L30-I66 HydrophobicContact CG-CD1 4.15Å; M43-I66 HydrophobicContact CE-CB 4.02Å; M43-I66 HydrophobicContact CE-CD1 4.29Å; M43-I66 HydrophobicContact CE-CG1 3.75Å; W54-I66 CarbonylContact C-O 3.57Å; W54-I66 WeakPolarHBondContact CA-O 3.39Å; V55-I66 HydrophobicContact CB-CG2 3.89Å; V55-I66 HydrophobicContact CG1-CG2 4.48Å; V55-I66 PolarHBondContact N-O 3.39Å; V55-I66 WeakPolarHBondContact O-CG2 3.24Å; V55-I66 PolarHBondContact O-N 3.36Å; T57-I66 HydrophobicContact CG2-CG2 4.09Å; I66-G68 PolarHBondContact O-N 3.24Å; I66-Y70 HydrophobicContact CD1-CD1 3.9Å; I66-Y70 HydrophobicContact CD1-CE1 4.21Å; I66-Y70 HydrophobicContact CG1-CD1 4.31Å; I66-L71 HydrophobicContact CD1-CD2 3.72Å; I66-L71 HydrophobicContact CD1-CG 4.1Å; I66-L71 HydrophobicContact CG1-CD2 4.3Å; I66-L71 HydrophobicContact CG1-CG 4.13Å; I66-L71 HydrophobicContact CG2-CD1 3.71Å; I66-L71 HydrophobicContact CG2-CD2 4.43Å; I66-L71 HydrophobicContact CG2-CG 4.17Å |
| 67 | R | 59.3 | Low | 55.7 | Low | 89 Ų | 89 | 78.8 Ų | 78.8 | 34% | 0.336 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 126.8 | 179.6 | -142.9 | 175.5 | -161.7 | 148.8 | 8.4 | 109.9 | D50 W54 T69 Y70 L71 | D50-R67 VanDerWaalsContact CB-NH2 3.34Å; D50-R67 IonicContact OD2-CZ 3.2Å; D50-R67 IonicContact OD2-NH1 3.95Å; D50-R67 IonicContact OD2-NH2 3.84Å; D50-R67 PolarHBondContact OD2-NH2 3.42Å; W54-R67 HydrophobicContact CD2-CG 4.42Å; W54-R67 HydrophobicContact CE3-CB 4.08Å; W54-R67 HydrophobicContact CE3-CG 4.21Å; W54-R67 HydrophobicContact CH2-CB 4.32Å; W54-R67 HydrophobicContact CH2-CG 4.06Å; W54-R67 HydrophobicContact CZ2-CG 4.26Å; W54-R67 HydrophobicContact CZ3-CB 3.86Å; W54-R67 HydrophobicContact CZ3-CG 4.04Å; R67-T69 VanDerWaalsContact C-N 3.29Å; R67-T69 PolarHBondContact O-N 3.2Å; R67-Y70 WeakPolarHBondContact O-CB 2.97Å; R67-Y70 PolarHBondContact O-N 3.08Å; R67-L71 PolarHBondContact O-N 3.21Å |
| 68 | G | 60.9 | Low | 55.5 | Low | 7 Ų | 7 | 81.2 Ų | 81.2 | 7% | 0.072 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.8 | -31.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | V53 I66 L71 R72 | V53-G68 WeakPolarHBondContact O-CA 3.37Å; V53-G68 PolarHBondContact O-N 2.88Å; I66-G68 PolarHBondContact O-N 3.24Å; G68-L71 PolarHBondContact O-N 2.98Å; G68-R72 PolarHBondContact O-N 2.89Å |
| 69 | T | 58.8 | Low | 55.1 | Low | 50 Ų | 50 | 81.7 Ų | 81.7 | 31% | 0.307 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | R67 L71 R72 E73 | R67-T69 VanDerWaalsContact C-N 3.29Å; R67-T69 PolarHBondContact O-N 3.2Å; T69-L71 VanDerWaalsContact C-N 3.31Å; T69-L71 PolarHBondContact O-N 2.89Å; T69-R72 WeakPolarHBondContact O-CB 3.18Å; T69-R72 PolarHBondContact O-N 3.28Å; T69-R72 VanDerWaalsContact O-N 3.13Å; T69-E73 WeakPolarHBondContact O-CB 3.47Å; T69-E73 WeakPolarHBondContact O-CG 3.48Å; T69-E73 PolarHBondContact O-N 3.3Å |
| 70 | Y | 59.3 | Low | 54.7 | Low | 75 Ų | 75 | 79.6 Ų | 79.6 | 29% | 0.294 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.6 | 176 | -86.6 | 0 | 0 | 0 | 111.5 | N28 L30 I66 R67 E73 S74 F75 | N28-Y70 PolarHBondContact O-OH 3.32Å; L30-Y70 HydrophobicContact CD1-CE1 3.96Å; L30-Y70 HydrophobicContact CD2-CD1 4.38Å; L30-Y70 HydrophobicContact CD2-CE1 3.6Å; L30-Y70 HydrophobicContact CG-CE1 3.69Å; I66-Y70 HydrophobicContact CD1-CD1 3.9Å; I66-Y70 HydrophobicContact CD1-CE1 4.21Å; I66-Y70 HydrophobicContact CG1-CD1 4.31Å; R67-Y70 WeakPolarHBondContact O-CB 2.97Å; R67-Y70 PolarHBondContact O-N 3.08Å; Y70-E73 PolarHBondContact O-N 3.36Å; Y70-S74 WeakPolarHBondContact O-CB 3.36Å; Y70-S74 PolarHBondContact O-N 3.4Å; Y70-S74 PolarHBondContact O-OG 2.8Å; Y70-S74 VanDerWaalsContact O-OG 3.07Å; Y70-F75 HydrophobicContact CE1-CE2 4.03Å |
| 71 | L | 55.4 | Low | 54.5 | Low | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.9 | -71.5 | 178.5 | 0 | 0 | 0 | 112.6 | L30 V55 I66 R67 G68 T69 F75 L77 | L30-L71 HydrophobicContact CD1-CD2 3.57Å; V55-L71 HydrophobicContact CB-CD1 3.71Å; V55-L71 HydrophobicContact CG1-CD1 4.04Å; V55-L71 HydrophobicContact CG2-CD1 3.58Å; I66-L71 HydrophobicContact CD1-CD2 3.72Å; I66-L71 HydrophobicContact CD1-CG 4.1Å; I66-L71 HydrophobicContact CG1-CD2 4.3Å; I66-L71 HydrophobicContact CG1-CG 4.13Å; I66-L71 HydrophobicContact CG2-CD1 3.71Å; I66-L71 HydrophobicContact CG2-CD2 4.43Å; I66-L71 HydrophobicContact CG2-CG 4.17Å; R67-L71 PolarHBondContact O-N 3.21Å; G68-L71 PolarHBondContact O-N 2.98Å; T69-L71 VanDerWaalsContact C-N 3.31Å; T69-L71 PolarHBondContact O-N 2.89Å; L71-F75 HydrophobicContact CD2-CD2 4.31Å; L71-F75 WeakPolarHBondContact O-CA 3.38Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 3.44Å; L71-L77 HydrophobicContact CB-CD1 4.17Å; L71-L77 HydrophobicContact CD2-CD1 4.12Å |
| 72 | R | 53.9 | Low | 54 | Low | 120 Ų | 120 | 79.2 Ų | 79.2 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.6 | -49.4 | 176.9 | -176.6 | -177.6 | -63.2 | 132.9 | 3.4 | 111.7 | G68 T69 H76 D78 | G68-R72 PolarHBondContact O-N 2.89Å; T69-R72 WeakPolarHBondContact O-CB 3.18Å; T69-R72 PolarHBondContact O-N 3.28Å; T69-R72 VanDerWaalsContact O-N 3.13Å; R72-H76 WeakPolarHBondContact O-CA 3.32Å; R72-H76 PolarHBondContact O-N 3.29Å; R72-D78 WeakPolarHBondContact CD-OD1 3.28Å; R72-D78 VanDerWaalsContact CG-OD1 3.23Å; R72-D78 WeakPolarHBondContact CG-OD1 3.5Å; R72-D78 IonicContact NE-OD1 3.76Å; R72-D78 PolarHBondContact NE-OD1 2.99Å |
| 73 | E | 60.5 | Low | 53.6 | Low | 140 Ų | 140 | 78.9 Ų | 78.9 | 65% | 0.654 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -69.2 | -42.7 | -176.1 | -71.8 | 165.7 | -165.8 | 0 | 0 | 112 | T69 Y70 | T69-E73 WeakPolarHBondContact O-CB 3.47Å; T69-E73 WeakPolarHBondContact O-CG 3.48Å; T69-E73 PolarHBondContact O-N 3.3Å; Y70-E73 PolarHBondContact O-N 3.36Å |
| 74 | S | 56.6 | Low | 53.2 | Low | 57 Ų | 57 | 82.5 Ų | 82.5 | 40% | 0.399 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -85 | -25.4 | -174 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | Y70 | Y70-S74 WeakPolarHBondContact O-CB 3.36Å; Y70-S74 PolarHBondContact O-N 3.4Å; Y70-S74 PolarHBondContact O-OG 2.8Å; Y70-S74 VanDerWaalsContact O-OG 3.07Å |
| 75 | F | 53.7 | Low | 52.4 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 35% | 0.351 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -131.1 | 3.8 | -172.1 | -58.4 | -86.5 | 0 | 0 | 0 | 114.1 | L30 Y31 Y70 L71 L77 | L30-F75 HydrophobicContact CB-CE2 4.36Å; L30-F75 HydrophobicContact CB-CZ 3.95Å; L30-F75 HydrophobicContact CD1-CD2 3.83Å; L30-F75 HydrophobicContact CD1-CE1 4.46Å; L30-F75 HydrophobicContact CD1-CE2 3.1Å; L30-F75 HydrophobicContact CD1-CZ 3.49Å; L30-F75 VanDerWaalsContact CD1-CZ 3.49Å; L30-F75 HydrophobicContact CG-CE2 3.63Å; L30-F75 HydrophobicContact CG-CZ 3.71Å; Y31-F75 HydrophobicContact CE2-CE1 4.28Å; Y70-F75 HydrophobicContact CE1-CE2 4.03Å; L71-F75 HydrophobicContact CD2-CD2 4.31Å; L71-F75 WeakPolarHBondContact O-CA 3.38Å; L71-F75 WeakPolarHBondContact O-CB 3.48Å; L71-F75 PolarHBondContact O-N 3.44Å; F75-L77 HydrophobicContact CB-CD1 3.74Å; F75-L77 HydrophobicContact CB-CG 3.65Å; F75-L77 HydrophobicContact CG-CD1 4.41Å; F75-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact O-N 3.08Å |
| 76 | H | 56.8 | Low | 51.8 | Low | 153 Ų | 153 | 97 Ų | 97 | 71% | 0.708 | 47% | 0.473 | S | S | * | . | trans | 51.5 | 33.1 | -176.5 | -54.4 | -60.3 | 0 | 0 | 0 | 112.7 | R72 D78 | R72-H76 WeakPolarHBondContact O-CA 3.32Å; R72-H76 PolarHBondContact O-N 3.29Å; H76-D78 PolarHBondContact O-N 2.87Å | ||
| 77 | L | 53.5 | Low | 51.1 | Low | 77 Ų | 77 | 99.3 Ų | 99.3 | 40% | 0.403 | 49% | 0.489 | S | S | . | . | trans | -78.2 | 61.8 | 178.6 | -67.4 | 171.5 | 0 | 0 | 0 | 110.4 | L71 F75 K79 | L71-L77 HydrophobicContact CB-CD1 4.17Å; L71-L77 HydrophobicContact CD2-CD1 4.12Å; F75-L77 HydrophobicContact CB-CD1 3.74Å; F75-L77 HydrophobicContact CB-CG 3.65Å; F75-L77 HydrophobicContact CG-CD1 4.41Å; F75-L77 PolarHBondContact O-N 3.26Å; F75-L77 VanDerWaalsContact O-N 3.08Å; L77-K79 PolarHBondContact O-N 2.64Å | ||
| 78 | D | 51.2 | Low | 50.4 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -19.7 | 169.3 | -72.8 | -42.7 | 0 | 0 | 0 | 112 | R72 H76 | R72-D78 WeakPolarHBondContact CD-OD1 3.28Å; R72-D78 VanDerWaalsContact CG-OD1 3.23Å; R72-D78 WeakPolarHBondContact CG-OD1 3.5Å; R72-D78 IonicContact NE-OD1 3.76Å; R72-D78 PolarHBondContact NE-OD1 2.99Å; H76-D78 PolarHBondContact O-N 2.87Å |
| 79 | K | 42.5 | Very low | 50 | Low | 196 Ų | 196 | 106 Ų | 106 | 85% | 0.852 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 33.9 | -174.8 | -75.4 | -171.9 | 175.7 | -178.9 | 0 | 114.2 | L77 A81 | L77-K79 PolarHBondContact O-N 2.64Å; K79-A81 PolarHBondContact O-N 3.25Å |
| 80 | A | 43.7 | Very low | 49.6 | Very low | 39 Ų | 39 | 109.4 Ų | 109.4 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | trans | -68.4 | 84.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | D82 I83 | A80-D82 PolarHBondContact O-N 2.94Å; A80-D82 VanDerWaalsContact O-N 3.1Å; A80-I83 HydrophobicContact CB-CD1 3.51Å; A80-I83 HydrophobicContact CB-CG1 3.81Å; A80-I83 WeakPolarHBondContact O-CG1 3.45Å; A80-I83 PolarHBondContact O-N 3.29Å | ||
| 81 | A | 40.9 | Very low | 49.3 | Very low | 91 Ų | 91 | 109.7 Ų | 109.7 | 75% | 0.752 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -15.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K79 | K79-A81 PolarHBondContact O-N 3.25Š|
| 82 | D | 42 | Very low | 49.5 | Very low | 153 Ų | 153 | 110.2 Ų | 110.2 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 17.1 | -176.3 | -54.6 | -34.3 | 0 | 0 | 0 | 112.9 | A80 E84 | A80-D82 PolarHBondContact O-N 2.94Å; A80-D82 VanDerWaalsContact O-N 3.1Å; D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.45Å |
| 83 | I | 41 | Very low | 49.8 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 32% | 0.323 | 55% | 0.553 | S | S | . | * | trans | -76.2 | 88.6 | 169.3 | -57.9 | 168.7 | 0 | 0 | 0 | 108.4 | V53 V55 A80 | V53-I83 HydrophobicContact CG1-CG2 4.39Å; V55-I83 HydrophobicContact CG1-CG1 4.27Å; V55-I83 HydrophobicContact CG2-CD1 3.39Å; V55-I83 HydrophobicContact CG2-CG1 3.75Å; V55-I83 HydrophobicContact CG2-CG2 4.15Å; A80-I83 HydrophobicContact CB-CD1 3.51Å; A80-I83 HydrophobicContact CB-CG1 3.81Å; A80-I83 WeakPolarHBondContact O-CG1 3.45Å; A80-I83 PolarHBondContact O-N 3.29Å | ||
| 84 | E | 44.4 | Very low | 49.8 | Very low | 168 Ų | 168 | 105.6 Ų | 105.6 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | trans | -74.9 | 133.5 | 168.7 | -69.2 | -171.5 | 173.3 | 0 | 0 | 110.7 | D82 F86 | D82-E84 VanDerWaalsContact C-N 3.33Å; D82-E84 PolarHBondContact O-N 3.45Å; E84-F86 PolarHBondContact O-N 3.27Å | ||
| 85 | R | 44.3 | Very low | 50 | Low | 230 Ų | 230 | 108.5 Ų | 108.5 | 87% | 0.868 | 55% | 0.554 | S | S | * | * | trans | -65.2 | 108.4 | 167.2 | -72.8 | -174.7 | 176 | -160.1 | -1 | 108.3 | ||||
| 86 | F | 46.9 | Very low | 50.5 | Low | 103 Ų | 103 | 111 Ų | 111 | 45% | 0.452 | 57% | 0.565 | S | S | . | * | trans | -85 | 121.9 | 175.4 | -162.8 | -98 | 0 | 0 | 0 | 110.1 | E84 L88 K90 M91 I94 | E84-F86 PolarHBondContact O-N 3.27Å; F86-L88 PolarHBondContact O-N 2.98Å; F86-K90 HydrophobicContact CD1-CB 4.2Å; F86-K90 HydrophobicContact CE1-CB 3.34Å; F86-K90 HydrophobicContact CE2-CB 4.25Å; F86-K90 HydrophobicContact CE2-CD 3.97Å; F86-K90 HydrophobicContact CZ-CB 3.37Å; F86-K90 HydrophobicContact CZ-CD 3.9Å; F86-K90 HydrophobicContact CZ-CG 4.29Å; F86-M91 HydrophobicContact CD1-CE 3.99Å; F86-M91 HydrophobicContact CD1-CG 3.76Å; F86-M91 HydrophobicContact CE1-CG 3.7Å; F86-I94 HydrophobicContact CZ-CD1 4.35Å | ||
| 87 | P | 46.7 | Very low | 50.9 | Low | 60 Ų | 60 | 104.6 Ų | 104.6 | 39% | 0.39 | 54% | 0.537 | S | S | . | . | trans | -65.5 | 132.2 | 178.5 | -12.3 | 23.7 | 0 | 0 | 0 | 110.9 | S89 K90 | P87-S89 PolarHBondContact O-N 3.36Å; P87-S89 VanDerWaalsContact O-N 3.12Å; P87-K90 HydrophobicContact CG-CD 4.42Å; P87-K90 HydrophobicContact CG-CG 4.44Å; P87-K90 WeakPolarHBondContact O-CB 3.36Å; P87-K90 PolarHBondContact O-N 3.36Å | ||
| 88 | L | 46 | Very low | 51.5 | Low | 139 Ų | 139 | 103 Ų | 103 | 73% | 0.728 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -55.7 | -29.8 | 174.9 | -72.8 | 174.5 | 0 | 0 | 0 | 112.6 | F86 K90 M91 G92 | F86-L88 PolarHBondContact O-N 2.98Å; L88-K90 PolarHBondContact O-N 3.21Å; L88-M91 HydrophobicContact CD2-SD 3.92Å; L88-M91 WeakPolarHBondContact O-CA 2.87Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.23Å; L88-G92 PolarHBondContact O-N 3.49Å |
| 89 | S | 52.7 | Low | 52.4 | Low | 97 Ų | 97 | 101.9 Ų | 101.9 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -34.2 | 175.2 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | P87 G92 H93 | P87-S89 PolarHBondContact O-N 3.36Å; P87-S89 VanDerWaalsContact O-N 3.12Å; S89-G92 PolarHBondContact O-N 3.12Å; S89-H93 PolarHBondContact O-N 3.02Å |
| 90 | K | 50.7 | Low | 53.5 | Low | 122 Ų | 122 | 96.9 Ų | 96.9 | 53% | 0.53 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.3 | -27.8 | 173.6 | -70.2 | -169.3 | 176.1 | -176.8 | 0 | 112.4 | F86 P87 L88 H93 I94 | F86-K90 HydrophobicContact CD1-CB 4.2Å; F86-K90 HydrophobicContact CE1-CB 3.34Å; F86-K90 HydrophobicContact CE2-CB 4.25Å; F86-K90 HydrophobicContact CE2-CD 3.97Å; F86-K90 HydrophobicContact CZ-CB 3.37Å; F86-K90 HydrophobicContact CZ-CD 3.9Å; F86-K90 HydrophobicContact CZ-CG 4.29Å; P87-K90 HydrophobicContact CG-CD 4.42Å; P87-K90 HydrophobicContact CG-CG 4.44Å; P87-K90 WeakPolarHBondContact O-CB 3.36Å; P87-K90 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.21Å; K90-H93 WeakPolarHBondContact O-CB 3.4Å; K90-H93 PolarHBondContact O-N 3.21Å; K90-I94 PolarHBondContact O-N 3.16Å |
| 91 | M | 52.8 | Low | 54.6 | Low | 80 Ų | 80 | 96 Ų | 96 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.2 | -40.3 | 172.5 | -64.7 | -169.7 | 173 | 0 | 0 | 111.4 | F86 L88 H93 I94 Q95 | F86-M91 HydrophobicContact CD1-CE 3.99Å; F86-M91 HydrophobicContact CD1-CG 3.76Å; F86-M91 HydrophobicContact CE1-CG 3.7Å; L88-M91 HydrophobicContact CD2-SD 3.92Å; L88-M91 WeakPolarHBondContact O-CA 2.87Å; L88-M91 WeakPolarHBondContact O-CB 3.48Å; L88-M91 PolarHBondContact O-N 3.23Å; M91-H93 PolarHBondContact O-N 3.43Å; M91-I94 WeakPolarHBondContact O-CB 3.24Å; M91-I94 PolarHBondContact O-N 3.24Å; M91-Q95 PolarHBondContact O-N 3.16Å |
| 92 | G | 57.9 | Low | 56 | Low | 30 Ų | 30 | 95.4 Ų | 95.4 | 31% | 0.309 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.2 | -33.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L88 S89 K96 | L88-G92 PolarHBondContact O-N 3.49Å; S89-G92 PolarHBondContact O-N 3.12Å; G92-K96 VanDerWaalsContact O-CG 3.31Å; G92-K96 WeakPolarHBondContact O-CG 3.37Å; G92-K96 PolarHBondContact O-N 3.32Å |
| 93 | H | 60.1 | Low | 57.4 | Low | 60 Ų | 60 | 92 Ų | 92 | 28% | 0.278 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 171.9 | -171.8 | -82.6 | 0 | 0 | 0 | 112.2 | S89 K90 M91 Q95 K96 V97 Y131 | S89-H93 PolarHBondContact O-N 3.02Å; K90-H93 WeakPolarHBondContact O-CB 3.4Å; K90-H93 PolarHBondContact O-N 3.21Å; M91-H93 PolarHBondContact O-N 3.43Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.98Å; H93-K96 PolarHBondContact O-N 3.2Å; H93-V97 VanDerWaalsContact O-CG2 3.25Å; H93-V97 WeakPolarHBondContact O-CG2 3.23Å; H93-V97 PolarHBondContact O-N 3.35Å; H93-Y131 AromaticContact CE1-CD1 3.82Å; H93-Y131 AromaticContact CE1-CE1 3.5Å; H93-Y131 AromaticContact NE2-CE1 3.44Å; H93-Y131 WeakPolarHBondContact NE2-CE1 3.31Å |
| 94 | I | 61 | Low | 58.7 | Low | 102 Ų | 102 | 91.9 Ų | 91.9 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.6 | -66.7 | 165.4 | 0 | 0 | 0 | 111 | F86 K90 M91 V97 A98 | F86-I94 HydrophobicContact CZ-CD1 4.35Å; K90-I94 PolarHBondContact O-N 3.16Å; M91-I94 WeakPolarHBondContact O-CB 3.24Å; M91-I94 PolarHBondContact O-N 3.24Å; I94-V97 PolarHBondContact O-N 2.9Å; I94-A98 WeakPolarHBondContact O-CB 3.49Å; I94-A98 PolarHBondContact O-N 3.15Å |
| 95 | Q | 60.6 | Low | 59.8 | Low | 118 Ų | 118 | 85.3 Ų | 85.3 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 175.9 | -175.5 | 176 | -9.3 | 0 | 0 | 111.4 | M91 H93 V97 A98 E99 | M91-Q95 PolarHBondContact O-N 3.16Å; H93-Q95 VanDerWaalsContact C-N 3.33Å; H93-Q95 PolarHBondContact O-N 2.98Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.05Å; Q95-A98 PolarHBondContact O-N 3.28Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; Q95-E99 HydrophobicContact CG-CG 4.42Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 3.08Å; Q95-E99 WeakPolarHBondContact O-CB 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.25Å; Q95-E99 PolarHBondContact O-N 3.43Å |
| 96 | K | 65.5 | Low | 61.1 | Low | 132 Ų | 132 | 82.7 Ų | 82.7 | 57% | 0.574 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -60 | -41.8 | 175 | -75.3 | 175.6 | 178.1 | -175.4 | 0 | 112.8 | G92 H93 R100 | G92-K96 VanDerWaalsContact O-CG 3.31Å; G92-K96 WeakPolarHBondContact O-CG 3.37Å; G92-K96 PolarHBondContact O-N 3.32Å; H93-K96 PolarHBondContact O-N 3.2Å; K96-R100 WeakPolarHBondContact O-CB 3.25Å; K96-R100 PolarHBondContact O-N 3.19Å |
| 97 | V | 63.8 | Low | 61.8 | Low | 19 Ų | 19 | 84 Ų | 84 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 174.4 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | H93 I94 Q95 R100 I101 V128 Y131 | H93-V97 VanDerWaalsContact O-CG2 3.25Å; H93-V97 WeakPolarHBondContact O-CG2 3.23Å; H93-V97 PolarHBondContact O-N 3.35Å; I94-V97 PolarHBondContact O-N 2.9Å; Q95-V97 VanDerWaalsContact C-N 3.34Å; Q95-V97 PolarHBondContact O-N 3.05Å; V97-R100 PolarHBondContact O-N 3.35Å; V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.45Å; V97-I101 WeakPolarHBondContact O-CD1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.28Å; V97-V128 HydrophobicContact CG1-CG2 4.27Å; V97-Y131 HydrophobicContact CG2-CD1 3.35Å; V97-Y131 HydrophobicContact CG2-CE1 3.42Å; V97-Y131 VanDerWaalsContact CG2-CE1 3.42Å; V97-Y131 HydrophobicContact CG2-CG 4.02Å |
| 98 | A | 66.7 | Low | 62.4 | Low | 43 Ų | 43 | 83.6 Ų | 83.6 | 36% | 0.355 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I94 Q95 I101 I102 | I94-A98 WeakPolarHBondContact O-CB 3.49Å; I94-A98 PolarHBondContact O-N 3.15Å; Q95-A98 PolarHBondContact O-N 3.28Å; Q95-A98 VanDerWaalsContact O-N 3.17Å; A98-I101 PolarHBondContact O-N 3.5Å; A98-I102 WeakPolarHBondContact O-CD1 3.48Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.5Å; A98-I102 PolarHBondContact O-N 3.02Å |
| 99 | E | 71 | Confident | 62.9 | Low | 95 Ų | 95 | 81.1 Ų | 81.1 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -59.6 | -47.9 | 176.5 | -75.4 | 171.1 | -175.3 | 0 | 0 | 111.2 | Q95 I101 I102 D103 | Q95-E99 HydrophobicContact CG-CG 4.42Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.44Å; Q95-E99 PolarHBondContact NE2-OE1 3.08Å; Q95-E99 WeakPolarHBondContact O-CB 3.32Å; Q95-E99 WeakPolarHBondContact O-CG 3.25Å; Q95-E99 PolarHBondContact O-N 3.43Å; E99-I101 PolarHBondContact O-N 3.49Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 2.91Å; E99-D103 PolarHBondContact O-N 2.9Å |
| 100 | R | 65.5 | Low | 63 | Low | 91 Ų | 91 | 82.4 Ų | 82.4 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.7 | -174 | 169.8 | 174.8 | -174.2 | -3.7 | 112.4 | K96 V97 I102 D103 E104 E134 | K96-R100 WeakPolarHBondContact O-CB 3.25Å; K96-R100 PolarHBondContact O-N 3.19Å; V97-R100 PolarHBondContact O-N 3.35Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.97Å; R100-D103 PolarHBondContact O-N 2.98Å; R100-E104 HydrophobicContact CG-CG 4.43Å; R100-E104 IonicContact CZ-OE1 3.9Å; R100-E104 IonicContact NE-OE1 3.15Å; R100-E104 PolarHBondContact NE-OE1 3.04Å; R100-E104 VanDerWaalsContact NE-OE1 3.15Å; R100-E104 IonicContact NH2-OE1 3.81Å; R100-E104 WeakPolarHBondContact O-CB 2.92Å; R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.87Å; R100-E134 IonicContact CZ-OE2 3.03Å; R100-E134 IonicContact NH1-OE2 3.38Å; R100-E134 PolarHBondContact NH1-OE2 3.2Å; R100-E134 IonicContact NH2-OE1 2.84Å; R100-E134 IonicContact NH2-OE2 3.66Å; R100-E134 PolarHBondContact NH2-OE2 3.49Å |
| 101 | I | 65.8 | Low | 63.2 | Low | 19 Ų | 19 | 82.4 Ų | 82.4 | 10% | 0.097 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.1 | -73.1 | 166.8 | 0 | 0 | 0 | 110.6 | V97 A98 E99 D103 E104 L105 V124 L127 V128 | V97-I101 HydrophobicContact CG1-CD1 3.62Å; V97-I101 HydrophobicContact CG1-CG1 4.44Å; V97-I101 WeakPolarHBondContact O-CB 3.45Å; V97-I101 WeakPolarHBondContact O-CD1 3.23Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.28Å; A98-I101 PolarHBondContact O-N 3.5Å; E99-I101 PolarHBondContact O-N 3.49Å; I101-D103 VanDerWaalsContact C-N 3.35Å; I101-E104 PolarHBondContact O-N 2.92Å; I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 WeakPolarHBondContact O-CD1 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.15Å; I101-V124 HydrophobicContact CD1-CG1 4.39Å; I101-V124 HydrophobicContact CG2-CG2 3.96Å; I101-L127 HydrophobicContact CB-CD1 4.29Å; I101-L127 HydrophobicContact CD1-CB 4.37Å; I101-L127 HydrophobicContact CG1-CB 3.81Å; I101-L127 HydrophobicContact CG1-CD1 3.99Å; I101-L127 HydrophobicContact CG2-CD1 4.17Å; I101-V128 HydrophobicContact CD1-CG2 3.7Å |
| 102 | I | 70.4 | Confident | 63.6 | Low | 80 Ų | 80 | 85.4 Ų | 85.4 | 41% | 0.41 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.5 | -43 | 177.3 | -71.2 | 164.5 | 0 | 0 | 0 | 110.8 | A98 E99 R100 L105 R106 | A98-I102 WeakPolarHBondContact O-CD1 3.48Å; A98-I102 VanDerWaalsContact O-CG1 3.24Å; A98-I102 WeakPolarHBondContact O-CG1 3.5Å; A98-I102 PolarHBondContact O-N 3.02Å; E99-I102 WeakPolarHBondContact O-CB 3.47Å; E99-I102 PolarHBondContact O-N 2.91Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 2.97Å; I102-L105 PolarHBondContact O-N 3.37Å; I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 VanDerWaalsContact O-CG 3.24Å; I102-R106 WeakPolarHBondContact O-CG 3.28Å; I102-R106 PolarHBondContact O-N 3.43Å |
| 103 | D | 71.9 | Confident | 64.3 | Low | 80 Ų | 80 | 91.3 Ų | 91.3 | 43% | 0.428 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.3 | -43 | 179 | -72.3 | -19.6 | 0 | 0 | 0 | 112.2 | E99 R100 I101 L105 R106 L107 | E99-D103 PolarHBondContact O-N 2.9Å; R100-D103 PolarHBondContact O-N 2.98Å; I101-D103 VanDerWaalsContact C-N 3.35Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 2.92Å; D103-R106 WeakPolarHBondContact O-CB 3.29Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-NH1 3.39Å; D103-R106 PolarHBondContact OD1-NH1 3.45Å; D103-L107 VanDerWaalsContact O-CG 3.31Å; D103-L107 WeakPolarHBondContact O-CG 3.25Å; D103-L107 PolarHBondContact O-N 3.33Å |
| 104 | E | 67.5 | Low | 64.7 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 29% | 0.285 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.8 | -71.2 | -167.5 | -152.1 | 0 | 0 | 111.9 | R100 I101 L107 G108 L127 | R100-E104 HydrophobicContact CG-CG 4.43Å; R100-E104 IonicContact CZ-OE1 3.9Å; R100-E104 IonicContact NE-OE1 3.15Å; R100-E104 PolarHBondContact NE-OE1 3.04Å; R100-E104 VanDerWaalsContact NE-OE1 3.15Å; R100-E104 IonicContact NH2-OE1 3.81Å; R100-E104 WeakPolarHBondContact O-CB 2.92Å; R100-E104 WeakPolarHBondContact O-CG 3.45Å; R100-E104 PolarHBondContact O-N 2.87Å; I101-E104 PolarHBondContact O-N 2.92Å; E104-L107 PolarHBondContact O-N 3.03Å; E104-G108 PolarHBondContact O-N 3.26Å; E104-L127 HydrophobicContact CB-CD1 4.04Å; E104-L127 WeakPolarHBondContact OE2-CD2 3.46Å |
| 105 | L | 68.9 | Low | 65 | Low | 30 Ų | 30 | 92.3 Ų | 92.3 | 16% | 0.157 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -41.6 | 171.9 | -75.7 | 169.7 | 0 | 0 | 0 | 112.2 | I101 I102 D103 N109 M115 L120 L123 V124 | I101-L105 HydrophobicContact CG2-CD1 3.72Å; I101-L105 HydrophobicContact CG2-CG 4.31Å; I101-L105 VanDerWaalsContact O-CB 3.26Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 WeakPolarHBondContact O-CD1 3.49Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.15Å; I102-L105 PolarHBondContact O-N 3.37Å; D103-L105 VanDerWaalsContact C-N 3.33Å; D103-L105 PolarHBondContact O-N 2.92Å; L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.49Å; L105-M115 HydrophobicContact CD2-CE 3.86Å; L105-L120 HydrophobicContact CD1-CD1 3.92Å; L105-L120 HydrophobicContact CD2-CD1 3.56Å; L105-L120 HydrophobicContact CG-CD1 4.43Å; L105-L123 HydrophobicContact CD2-CD2 3.29Å; L105-L123 HydrophobicContact CD2-CG 4Å; L105-L123 HydrophobicContact CG-CD2 4.45Å; L105-V124 HydrophobicContact CD1-CG2 4.25Å |
| 106 | R | 70.1 | Confident | 65.6 | Low | 176 Ų | 176 | 90.3 Ų | 90.3 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -41.9 | 176.2 | -76.9 | 168.4 | 174.1 | 170.5 | -3 | 111.8 | I102 D103 | I102-R106 WeakPolarHBondContact O-CB 3.49Å; I102-R106 VanDerWaalsContact O-CG 3.24Å; I102-R106 WeakPolarHBondContact O-CG 3.28Å; I102-R106 PolarHBondContact O-N 3.43Å; D103-R106 WeakPolarHBondContact O-CB 3.29Å; D103-R106 PolarHBondContact O-N 3.29Å; D103-R106 IonicContact OD1-NH1 3.39Å; D103-R106 PolarHBondContact OD1-NH1 3.45Å |
| 107 | L | 63.2 | Low | 65.7 | Low | 130 Ų | 130 | 90.4 Ų | 90.4 | 68% | 0.681 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.9 | -41.4 | 178.4 | -69.9 | 171.9 | 0 | 0 | 0 | 112.3 | D103 E104 N109 T110 | D103-L107 VanDerWaalsContact O-CG 3.31Å; D103-L107 WeakPolarHBondContact O-CG 3.25Å; D103-L107 PolarHBondContact O-N 3.33Å; E104-L107 PolarHBondContact O-N 3.03Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.36Å; L107-T110 WeakPolarHBondContact O-CG2 3.34Å; L107-T110 PolarHBondContact O-OG1 3.45Å; L107-T110 VanDerWaalsContact O-OG1 3.1Å |
| 108 | G | 58.2 | Low | 65.9 | Low | 51 Ų | 51 | 95.4 Ų | 95.4 | 53% | 0.526 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.1 | -22.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E104 T110 | E104-G108 PolarHBondContact O-N 3.26Å; G108-T110 PolarHBondContact O-N 2.87Å |
| 109 | N | 55.7 | Low | 66.1 | Low | 88 Ų | 88 | 96.4 Ų | 96.4 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 25.1 | 178.6 | -156.5 | 37.9 | 0 | 0 | 0 | 113.3 | L105 L107 | L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.49Å; L107-N109 VanDerWaalsContact C-N 3.32Å; L107-N109 PolarHBondContact O-N 3.36Å |
| 110 | T | 56 | Low | 65.9 | Low | 124 Ų | 124 | 95.1 Ų | 95.1 | 76% | 0.761 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.3 | 167.1 | 42.2 | 0 | 0 | 0 | 0 | 112 | L107 G108 | L107-T110 WeakPolarHBondContact O-CG2 3.34Å; L107-T110 PolarHBondContact O-OG1 3.45Å; L107-T110 VanDerWaalsContact O-OG1 3.1Å; G108-T110 PolarHBondContact O-N 2.87Å |
| 111 | D | 55.1 | Low | 66.1 | Low | 122 Ų | 122 | 95 Ų | 95 | 65% | 0.652 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -81.8 | 128.9 | 173.2 | -130 | -24.4 | 0 | 0 | 0 | 110.5 | R113 | D111-R113 PolarHBondContact O-N 2.84Š|
| 112 | T | 59.8 | Low | 66.4 | Low | 142 Ų | 142 | 101.7 Ų | 101.7 | 87% | 0.871 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -64.6 | -2.3 | -171.6 | 53.7 | 0 | 0 | 0 | 0 | 115 | V114 | T112-V114 PolarHBondContact O-N 3.16Š|
| 113 | R | 72.7 | Confident | 66.4 | Low | 155 Ų | 155 | 101.2 Ų | 101.2 | 59% | 0.585 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -87.4 | 111.9 | -179.6 | -164.7 | -175 | 81 | 122.7 | 5.4 | 110.9 | D111 M115 E119 | D111-R113 PolarHBondContact O-N 2.84Å; R113-M115 PolarHBondContact O-N 2.8Å; R113-E119 IonicContact CZ-OE1 2.68Å; R113-E119 IonicContact NH1-OE1 3.29Å; R113-E119 VanDerWaalsContact NH2-CD 3.25Å; R113-E119 IonicContact NH2-OE1 3.75Å; R113-E119 PolarHBondContact NH2-OE1 3.08Å; R113-E119 IonicContact NH2-OE2 3.29Å; R113-E119 PolarHBondContact NH2-OE2 3.03Å |
| 114 | V | 68.9 | Low | 66.4 | Low | 126 Ų | 126 | 99.7 Ų | 99.7 | 76% | 0.764 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 121.5 | 170.9 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | T112 | T112-V114 PolarHBondContact O-N 3.16Š|
| 115 | M | 68.5 | Low | 66.5 | Low | 57 Ų | 57 | 100 Ų | 100 | 28% | 0.281 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 141 | 173.6 | -74 | -174.4 | -81.1 | 0 | 0 | 111.2 | L105 R113 E119 L120 L123 | L105-M115 HydrophobicContact CD2-CE 3.86Å; R113-M115 PolarHBondContact O-N 2.8Å; M115-E119 HydrophobicContact CB-CB 4.38Å; M115-L120 HydrophobicContact CE-CD1 4.43Å; M115-L123 HydrophobicContact CE-CD2 4.3Å; M115-L123 HydrophobicContact SD-CD2 3.91Å |
| 116 | T | 72.7 | Confident | 66.6 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 156.9 | 167.7 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | N118 E119 L120 | T116-N118 PolarHBondContact O-N 2.95Å; T116-N118 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact CB-OE2 3.45Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.19Å; T116-E119 PolarHBondContact N-OE2 2.92Å; T116-E119 PolarHBondContact O-N 2.98Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 VanDerWaalsContact OG1-CD 3.22Å; T116-E119 VanDerWaalsContact OG1-CG 3.28Å; T116-E119 WeakPolarHBondContact OG1-CG 3.39Å; T116-E119 PolarHBondContact OG1-N 3.31Å; T116-E119 PolarHBondContact OG1-OE2 3.47Å; T116-L120 PolarHBondContact O-N 2.94Å |
| 117 | N | 67 | Low | 66.6 | Low | 134 Ų | 134 | 93 Ų | 93 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -54.3 | -36.6 | 175.4 | -70.3 | -10.9 | 0 | 0 | 0 | 112.6 | L120 V121 | N117-L120 PolarHBondContact O-N 3.46Å; N117-V121 VanDerWaalsContact O-CG2 3.25Å; N117-V121 WeakPolarHBondContact O-CG2 3.24Å; N117-V121 PolarHBondContact O-N 3.36Å |
| 118 | N | 68.8 | Low | 66.7 | Low | 125 Ų | 125 | 89.2 Ų | 89.2 | 67% | 0.668 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.7 | -39.2 | 178.5 | -83.4 | -8.6 | 0 | 0 | 0 | 112.7 | T116 V121 K122 | T116-N118 PolarHBondContact O-N 2.95Å; T116-N118 VanDerWaalsContact O-N 3.16Å; N118-V121 PolarHBondContact O-N 3.49Å; N118-K122 WeakPolarHBondContact O-CB 3.48Å; N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 3.36Å |
| 119 | E | 69.6 | Low | 67.3 | Low | 64 Ų | 64 | 94.4 Ų | 94.4 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 175.8 | -71.6 | 161.4 | 149.9 | 0 | 0 | 110.7 | R113 M115 T116 V121 K122 L123 | R113-E119 IonicContact CZ-OE1 2.68Å; R113-E119 IonicContact NH1-OE1 3.29Å; R113-E119 VanDerWaalsContact NH2-CD 3.25Å; R113-E119 IonicContact NH2-OE1 3.75Å; R113-E119 PolarHBondContact NH2-OE1 3.08Å; R113-E119 IonicContact NH2-OE2 3.29Å; R113-E119 PolarHBondContact NH2-OE2 3.03Å; M115-E119 HydrophobicContact CB-CB 4.38Å; T116-E119 WeakPolarHBondContact CB-OE2 3.45Å; T116-E119 WeakPolarHBondContact CG2-OE2 3.19Å; T116-E119 PolarHBondContact N-OE2 2.92Å; T116-E119 PolarHBondContact O-N 2.98Å; T116-E119 VanDerWaalsContact O-N 3.08Å; T116-E119 VanDerWaalsContact OG1-CD 3.22Å; T116-E119 VanDerWaalsContact OG1-CG 3.28Å; T116-E119 WeakPolarHBondContact OG1-CG 3.39Å; T116-E119 PolarHBondContact OG1-N 3.31Å; T116-E119 PolarHBondContact OG1-OE2 3.47Å; E119-V121 PolarHBondContact O-N 3.49Å; E119-K122 PolarHBondContact O-N 3.01Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.17Å |
| 120 | L | 68.3 | Low | 67.8 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 174.5 | -176.9 | 65.5 | 0 | 0 | 0 | 111.4 | L105 M115 T116 N117 K122 L123 V124 | L105-L120 HydrophobicContact CD1-CD1 3.92Å; L105-L120 HydrophobicContact CD2-CD1 3.56Å; L105-L120 HydrophobicContact CG-CD1 4.43Å; M115-L120 HydrophobicContact CE-CD1 4.43Å; T116-L120 PolarHBondContact O-N 2.94Å; N117-L120 PolarHBondContact O-N 3.46Å; L120-K122 PolarHBondContact O-N 2.83Å; L120-L123 PolarHBondContact O-N 2.91Å; L120-V124 HydrophobicContact CD1-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.13Å; L120-V124 PolarHBondContact O-N 3.15Å |
| 121 | V | 68.9 | Low | 68.1 | Low | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | N117 N118 E119 L123 V124 V125 | N117-V121 VanDerWaalsContact O-CG2 3.25Å; N117-V121 WeakPolarHBondContact O-CG2 3.24Å; N117-V121 PolarHBondContact O-N 3.36Å; N118-V121 PolarHBondContact O-N 3.49Å; E119-V121 PolarHBondContact O-N 3.49Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.28Å; V121-V124 PolarHBondContact O-N 3.43Å; V121-V125 HydrophobicContact CG1-CG2 4.33Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 VanDerWaalsContact O-CG2 3.23Å; V121-V125 WeakPolarHBondContact O-CG2 3.26Å; V121-V125 PolarHBondContact O-N 2.81Å |
| 122 | K | 72.5 | Confident | 68.4 | Low | 161 Ų | 161 | 89.8 Ų | 89.8 | 70% | 0.7 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -61.5 | -41.3 | 177.9 | -76.9 | -179.8 | 179 | -176 | 0 | 112.3 | N118 E119 L120 V125 G126 | N118-K122 WeakPolarHBondContact O-CB 3.48Å; N118-K122 WeakPolarHBondContact O-CG 3.48Å; N118-K122 PolarHBondContact O-N 3.36Å; E119-K122 PolarHBondContact O-N 3.01Å; L120-K122 PolarHBondContact O-N 2.83Å; K122-V125 PolarHBondContact O-N 2.94Å; K122-G126 PolarHBondContact O-N 2.89Å |
| 123 | L | 71.1 | Confident | 68.9 | Low | 69 Ų | 69 | 90.8 Ų | 90.8 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.7 | -50.4 | 178.2 | -177.4 | 57.2 | 0 | 0 | 0 | 110.8 | L105 M115 E119 L120 V121 V125 G126 L127 | L105-L123 HydrophobicContact CD2-CD2 3.29Å; L105-L123 HydrophobicContact CD2-CG 4Å; L105-L123 HydrophobicContact CG-CD2 4.45Å; M115-L123 HydrophobicContact CE-CD2 4.3Å; M115-L123 HydrophobicContact SD-CD2 3.91Å; E119-L123 WeakPolarHBondContact O-CB 3.4Å; E119-L123 PolarHBondContact O-N 3.17Å; L120-L123 PolarHBondContact O-N 2.91Å; V121-L123 VanDerWaalsContact C-N 3.33Å; V121-L123 PolarHBondContact O-N 3.28Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.68Å; L123-G126 PolarHBondContact O-N 3.46Å; L123-L127 HydrophobicContact CD1-CD1 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.32Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.29Å |
| 124 | V | 70.6 | Confident | 68.6 | Low | 48 Ų | 48 | 88.3 Ų | 88.3 | 29% | 0.291 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.5 | -46.6 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | I101 L105 L120 V121 L127 V128 | I101-V124 HydrophobicContact CD1-CG1 4.39Å; I101-V124 HydrophobicContact CG2-CG2 3.96Å; L105-V124 HydrophobicContact CD1-CG2 4.25Å; L120-V124 HydrophobicContact CD1-CG2 4.43Å; L120-V124 WeakPolarHBondContact O-CB 3.43Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.13Å; L120-V124 PolarHBondContact O-N 3.15Å; V121-V124 PolarHBondContact O-N 3.43Å; V124-L127 PolarHBondContact O-N 3.45Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.87Å |
| 125 | V | 70.5 | Confident | 67.9 | Low | 68 Ų | 68 | 88.6 Ų | 88.6 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 177.8 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | V121 K122 L123 L127 V128 Y129 | V121-V125 HydrophobicContact CG1-CG2 4.33Å; V121-V125 WeakPolarHBondContact O-CB 3.47Å; V121-V125 VanDerWaalsContact O-CG2 3.23Å; V121-V125 WeakPolarHBondContact O-CG2 3.26Å; V121-V125 PolarHBondContact O-N 2.81Å; K122-V125 PolarHBondContact O-N 2.94Å; L123-V125 VanDerWaalsContact C-N 3.33Å; L123-V125 PolarHBondContact O-N 2.68Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.19Å; V125-V128 PolarHBondContact O-N 3.45Å; V125-Y129 HydrophobicContact CG1-CD2 3.72Å; V125-Y129 HydrophobicContact CG1-CE2 3.57Å; V125-Y129 VanDerWaalsContact O-CD2 3.24Å; V125-Y129 WeakPolarHBondContact O-CD2 3.24Å; V125-Y129 PolarHBondContact O-N 3.5Å |
| 126 | G | 70.9 | Confident | 67.9 | Low | 39 Ų | 39 | 90.2 Ų | 90.2 | 40% | 0.402 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K122 L123 Y129 K130 | K122-G126 PolarHBondContact O-N 2.89Å; L123-G126 PolarHBondContact O-N 3.46Å; G126-Y129 PolarHBondContact O-N 2.86Å; G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 PolarHBondContact O-N 2.89Å |
| 127 | L | 68.8 | Low | 67.7 | Low | 19 Ų | 19 | 90.9 Ų | 90.9 | 10% | 0.099 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 176.6 | -67.8 | 179.8 | 0 | 0 | 0 | 112.7 | I101 E104 L123 V124 V125 Y129 K130 Y131 | I101-L127 HydrophobicContact CB-CD1 4.29Å; I101-L127 HydrophobicContact CD1-CB 4.37Å; I101-L127 HydrophobicContact CG1-CB 3.81Å; I101-L127 HydrophobicContact CG1-CD1 3.99Å; I101-L127 HydrophobicContact CG2-CD1 4.17Å; E104-L127 HydrophobicContact CB-CD1 4.04Å; E104-L127 WeakPolarHBondContact OE2-CD2 3.46Å; L123-L127 HydrophobicContact CD1-CD1 4.4Å; L123-L127 HydrophobicContact CD1-CG 4.34Å; L123-L127 HydrophobicContact CG-CD1 4.32Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.41Å; L123-L127 PolarHBondContact O-N 3.29Å; V124-L127 PolarHBondContact O-N 3.45Å; V125-L127 VanDerWaalsContact C-N 3.33Å; V125-L127 PolarHBondContact O-N 3.19Å; L127-Y129 VanDerWaalsContact C-N 3.34Å; L127-K130 PolarHBondContact O-N 3.17Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 PolarHBondContact O-N 2.91Å |
| 128 | V | 65.9 | Low | 67.7 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 32% | 0.315 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111 | V97 I101 V124 V125 N132 | V97-V128 HydrophobicContact CG1-CG2 4.27Å; I101-V128 HydrophobicContact CD1-CG2 3.7Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-V128 PolarHBondContact O-N 2.87Å; V125-V128 PolarHBondContact O-N 3.45Å; V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 2.89Å; V128-N132 VanDerWaalsContact O-N 3.08Å |
| 129 | Y | 71.4 | Confident | 67.6 | Low | 159 Ų | 159 | 86.4 Ų | 86.4 | 62% | 0.624 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.1 | -49 | 176.6 | -84.5 | -70.2 | 0 | 0 | 0 | 112.1 | V125 G126 L127 Y131 N132 E133 | V125-Y129 HydrophobicContact CG1-CD2 3.72Å; V125-Y129 HydrophobicContact CG1-CE2 3.57Å; V125-Y129 VanDerWaalsContact O-CD2 3.24Å; V125-Y129 WeakPolarHBondContact O-CD2 3.24Å; V125-Y129 PolarHBondContact O-N 3.5Å; G126-Y129 PolarHBondContact O-N 2.86Å; L127-Y129 VanDerWaalsContact C-N 3.34Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.28Å; Y129-N132 PolarHBondContact O-N 3.47Å; Y129-E133 PolarHBondContact O-N 3.05Å; Y129-E133 VanDerWaalsContact O-N 3.16Å |
| 130 | K | 66.4 | Low | 67.5 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 45% | 0.452 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.5 | -43.3 | 178.4 | -174.3 | -177.6 | 175 | -170.9 | 0 | 112 | G126 L127 E133 E134 | G126-K130 WeakPolarHBondContact O-CB 3.45Å; G126-K130 PolarHBondContact O-N 2.89Å; L127-K130 PolarHBondContact O-N 3.17Å; K130-E133 PolarHBondContact O-N 3.49Å; K130-E134 VanDerWaalsContact CE-OE1 3.23Å; K130-E134 WeakPolarHBondContact CE-OE1 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.1Å; K130-E134 VanDerWaalsContact O-N 3.16Å |
| 131 | Y | 61.8 | Low | 67.5 | Low | 41 Ų | 41 | 89.1 Ų | 89.1 | 16% | 0.161 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 179.5 | -166.6 | -91.4 | 0 | 0 | 0 | 112.6 | H93 V97 L127 Y129 E133 E134 V135 | H93-Y131 AromaticContact CE1-CD1 3.82Å; H93-Y131 AromaticContact CE1-CE1 3.5Å; H93-Y131 AromaticContact NE2-CE1 3.44Å; H93-Y131 WeakPolarHBondContact NE2-CE1 3.31Å; V97-Y131 HydrophobicContact CG2-CD1 3.35Å; V97-Y131 HydrophobicContact CG2-CE1 3.42Å; V97-Y131 VanDerWaalsContact CG2-CE1 3.42Å; V97-Y131 HydrophobicContact CG2-CG 4.02Å; L127-Y131 WeakPolarHBondContact O-CB 3.18Å; L127-Y131 PolarHBondContact O-N 2.91Å; Y129-Y131 VanDerWaalsContact C-N 3.31Å; Y129-Y131 PolarHBondContact O-N 3.28Å; Y131-E133 PolarHBondContact O-N 3.19Å; Y131-E134 PolarHBondContact O-N 2.91Å; Y131-E134 VanDerWaalsContact O-N 3.15Å; Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 PolarHBondContact O-N 3.39Å |
| 132 | N | 62.4 | Low | 67.4 | Low | 92 Ų | 92 | 89.3 Ų | 89.3 | 49% | 0.492 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.4 | -18.5 | 174.7 | -75.8 | -14.6 | 0 | 0 | 0 | 113.3 | V128 Y129 | V128-N132 WeakPolarHBondContact O-CB 3.39Å; V128-N132 PolarHBondContact O-N 2.89Å; V128-N132 VanDerWaalsContact O-N 3.08Å; Y129-N132 PolarHBondContact O-N 3.47Å |
| 133 | E | 70 | Confident | 67 | Low | 164 Ų | 164 | 83.8 Ų | 83.8 | 77% | 0.766 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -87.3 | -24.7 | 171.1 | -69.2 | 179.4 | 175.9 | 0 | 0 | 112.5 | Y129 K130 Y131 | Y129-E133 PolarHBondContact O-N 3.05Å; Y129-E133 VanDerWaalsContact O-N 3.16Å; K130-E133 PolarHBondContact O-N 3.49Å; Y131-E133 PolarHBondContact O-N 3.19Å |
| 134 | E | 65.7 | Low | 66.6 | Low | 102 Ų | 102 | 85 Ų | 85 | 48% | 0.477 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -81.4 | -17.3 | 178.6 | -74.2 | 177.8 | -168.7 | 0 | 0 | 113.5 | R100 K130 Y131 | R100-E134 IonicContact CZ-OE2 3.03Å; R100-E134 IonicContact NH1-OE2 3.38Å; R100-E134 PolarHBondContact NH1-OE2 3.2Å; R100-E134 IonicContact NH2-OE1 2.84Å; R100-E134 IonicContact NH2-OE2 3.66Å; R100-E134 PolarHBondContact NH2-OE2 3.49Å; K130-E134 VanDerWaalsContact CE-OE1 3.23Å; K130-E134 WeakPolarHBondContact CE-OE1 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.1Å; K130-E134 VanDerWaalsContact O-N 3.16Å; Y131-E134 PolarHBondContact O-N 2.91Å; Y131-E134 VanDerWaalsContact O-N 3.15Å |
| 135 | V | 55.3 | Low | 66.3 | Low | 132 Ų | 132 | 88.4 Ų | 88.4 | 80% | 0.8 | 46% | 0.455 | S | S | * | . | trans | -112.2 | 0 | -178.7 | -179 | 0 | 0 | 0 | 0 | 111.2 | Y131 | Y131-V135 HydrophobicContact CD1-CG2 3.91Å; Y131-V135 HydrophobicContact CE1-CG2 3.5Å; Y131-V135 PolarHBondContact O-N 3.39Å |
Retrieved 135 of 135 residues in 103.4 ms
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