| 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 | 38.1 | Very low | 43 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 100% | 1.099 | 85% | 0.846 | S | S | * | * | 0 | 105.4 | 0 | -51.5 | -44.9 | -176.8 | 0 | 0 | 106.5 | |||||
| 2 | S | 39 | Very low | 43.1 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | 77.6 | 125 | 72.7 | -56.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 3 | Q | 45.1 | Very low | 43.7 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | cis | -146.5 | 174.7 | 7.6 | -96.5 | -109.1 | 88.2 | 0 | 0 | 111.9 | ||||
| 4 | Q | 46 | Very low | 43.8 | Very low | 182 Ų | 182 | 140.7 Ų | 140.7 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -89.7 | -174.6 | 177.7 | -162.3 | 178.3 | 8.1 | 0 | 0 | 111.8 | ||||
| 5 | A | 47.7 | Very low | 43.7 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 65% | 0.645 | 82% | 0.819 | S | S | * | * | trans | 96.6 | 141.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 6 | Q | 45.9 | Very low | 43.8 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | cis | -155.6 | 167.1 | -10 | -127.6 | 161.2 | -17.5 | 0 | 0 | 112.2 | ||||
| 7 | Q | 49.3 | Very low | 43.7 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -87.5 | 127.4 | 171.7 | -67 | 172.7 | -7.3 | 0 | 0 | 111.1 | ||||
| 8 | T | 37.8 | Very low | 44.2 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -148.2 | 145 | 158.6 | 54.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 9 | G | 34.7 | Very low | 44.1 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | -172.8 | 135.5 | -11.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | T11 | G9-T11 PolarHBondContact O-N 3.28Š| ||
| 10 | A | 50 | Low | 44.6 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -84.6 | 102.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 11 | T | 39.5 | Very low | 44.9 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -138.4 | 101.8 | 172.3 | -40.4 | 0 | 0 | 0 | 0 | 111.1 | G9 | G9-T11 PolarHBondContact O-N 3.28Š| ||
| 12 | A | 44.1 | Very low | 45.5 | Very low | 95 Ų | 95 | 125 Ų | 125 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -88 | 152.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 13 | P | 51.1 | Low | 45.7 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | -144 | 170 | 81.9 | 39.5 | -24.2 | 0 | 0 | 0 | 115.6 | |||||
| 14 | D | 44.5 | Very low | 46.1 | Very low | 144 Ų | 144 | 123.5 Ų | 123.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 43.9 | 101.5 | 155.5 | -147.5 | -98.1 | 0 | 0 | 0 | 120.2 | ||||
| 15 | S | 43 | Very low | 46.2 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | -154.9 | 111 | 128.3 | -166.1 | 0 | 0 | 0 | 0 | 109.8 | V17 | S15-V17 PolarHBondContact O-N 3.43Š| |||
| 16 | P | 44.6 | Very low | 46.2 | Very low | 105 Ų | 105 | 129.1 Ų | 129.1 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | trans | -77.3 | 59.8 | 172.2 | 33.4 | -35.4 | 0 | 0 | 0 | 110.7 | M18 | P16-M18 VanDerWaalsContact C-N 3.35Å; P16-M18 PolarHBondContact O-N 2.88Å | ||
| 17 | V | 42.6 | Very low | 46.3 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 62% | 0.624 | 76% | 0.756 | S | S | * | * | trans | -60.6 | 104.9 | 158.2 | 178 | 0 | 0 | 0 | 0 | 105.9 | S15 V19 | S15-V17 PolarHBondContact O-N 3.43Å; V17-V19 HydrophobicContact CB-CG2 4.46Å; V17-V19 HydrophobicContact CG1-CG2 3.89Å; V17-V19 PolarHBondContact O-N 2.94Å | ||
| 18 | M | 52.1 | Low | 46.6 | Very low | 165 Ų | 165 | 125 Ų | 125 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | -67.4 | 86.5 | 170.3 | -77.8 | -164.3 | 70.6 | 0 | 0 | 108.4 | P16 V20 | P16-M18 VanDerWaalsContact C-N 3.35Å; P16-M18 PolarHBondContact O-N 2.88Å; M18-V20 VanDerWaalsContact C-N 3.26Å; M18-V20 PolarHBondContact O-N 2.86Å | ||
| 19 | V | 41.9 | Very low | 47.4 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 61% | 0.606 | 74% | 0.736 | S | S | * | * | trans | -66.6 | 89.8 | 170.8 | 178 | 0 | 0 | 0 | 0 | 107.1 | V17 T21 | V17-V19 HydrophobicContact CB-CG2 4.46Å; V17-V19 HydrophobicContact CG1-CG2 3.89Å; V17-V19 PolarHBondContact O-N 2.94Å; V19-T21 HydrophobicContact CG1-CG2 3.42Å; V19-T21 VanDerWaalsContact CG1-CG2 3.42Å; V19-T21 PolarHBondContact O-N 2.77Å | ||
| 20 | V | 55.4 | Low | 48.1 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -74.8 | 58.9 | 169.8 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | M18 S22 | M18-V20 VanDerWaalsContact C-N 3.26Å; M18-V20 PolarHBondContact O-N 2.86Å; V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 2.84Å | ||
| 21 | T | 50.1 | Low | 48.2 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 59% | 0.589 | 74% | 0.742 | S | S | * | * | trans | -68.1 | 91.3 | 165 | 38.5 | 0 | 0 | 0 | 0 | 107.9 | V19 N23 | V19-T21 HydrophobicContact CG1-CG2 3.42Å; V19-T21 VanDerWaalsContact CG1-CG2 3.42Å; V19-T21 PolarHBondContact O-N 2.77Å; T21-N23 PolarHBondContact O-N 2.91Å; T21-N23 PolarHBondContact O-OD1 3Å | ||
| 22 | S | 50.3 | Low | 48.9 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -43.5 | 105 | 174.3 | 43.4 | 0 | 0 | 0 | 0 | 111.5 | V20 V24 | V20-S22 VanDerWaalsContact C-N 3.25Å; V20-S22 PolarHBondContact O-N 2.84Å; S22-V24 PolarHBondContact O-N 3.26Å | ||
| 23 | N | 44.7 | Very low | 49.7 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | -72.5 | 27.9 | -173 | -43.8 | 79 | 0 | 0 | 0 | 113.8 | T21 Q25 | T21-N23 PolarHBondContact O-N 2.91Å; T21-N23 PolarHBondContact O-OD1 3Å; N23-Q25 PolarHBondContact O-N 3.27Å; N23-Q25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | V | 52 | Low | 50.5 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | trans | -67.9 | -14.4 | -165.9 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | S22 K26 | S22-V24 PolarHBondContact O-N 3.26Å; V24-K26 PolarHBondContact O-N 2.78Å | ||
| 25 | Q | 48.8 | Very low | 52.5 | Low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 45.3 | -173.5 | -60.2 | -173.4 | 5.7 | 0 | 0 | 115.2 | N23 | N23-Q25 PolarHBondContact O-N 3.27Å; N23-Q25 VanDerWaalsContact O-N 3.09Å |
| 26 | K | 48.2 | Very low | 54.7 | Low | 188 Ų | 188 | 128 Ų | 128 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.2 | 17.8 | 162.2 | -130.8 | 174.6 | -176.2 | 175.5 | 0 | 120 | V24 A28 | V24-K26 PolarHBondContact O-N 2.78Å; K26-A28 PolarHBondContact O-N 3.09Å |
| 27 | Y | 46.5 | Very low | 57 | Low | 204 Ų | 204 | 126.7 Ų | 126.7 | 80% | 0.8 | 67% | 0.667 | S | S | * | * | trans | -78.2 | 53.7 | 168.1 | -73.3 | -79 | 0 | 0 | 0 | 112.8 | I29 | Y27-I29 HydrophobicContact CD1-CG1 4.49Å; Y27-I29 PolarHBondContact O-N 3.1Å | ||
| 28 | A | 55.7 | Low | 59.3 | Low | 92 Ų | 92 | 129 Ų | 129 | 76% | 0.76 | 67% | 0.671 | S | S | * | * | trans | -79 | 74.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K26 K30 | K26-A28 PolarHBondContact O-N 3.09Å; A28-K30 PolarHBondContact O-N 2.77Å | ||
| 29 | I | 55.3 | Low | 61.3 | Low | 119 Ų | 119 | 121.9 Ų | 121.9 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | trans | -71.6 | 97.7 | -170.3 | -55 | 177.8 | 0 | 0 | 0 | 110.8 | Y27 K31 | Y27-I29 HydrophobicContact CD1-CG1 4.49Å; Y27-I29 PolarHBondContact O-N 3.1Å; I29-K31 PolarHBondContact O-N 3.5Å; I29-K31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | K | 49.2 | Very low | 63.7 | Low | 193 Ų | 193 | 117.4 Ų | 117.4 | 84% | 0.839 | 61% | 0.609 | S | S | * | * | trans | -57.2 | 115.3 | 163.9 | 176.9 | 176.8 | 177.1 | 176.3 | 0 | 108.8 | A28 K32 | A28-K30 PolarHBondContact O-N 2.77Å; K30-K32 PolarHBondContact O-N 3.03Å | ||
| 31 | K | 51.7 | Low | 65.6 | Low | 207 Ų | 207 | 118.4 Ų | 118.4 | 90% | 0.9 | 61% | 0.605 | S | S | * | * | trans | -51.7 | 85.1 | -172.7 | -170.9 | 178 | -179.3 | 175.4 | 0 | 114.1 | I29 | I29-K31 PolarHBondContact O-N 3.5Å; I29-K31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | K | 54.2 | Low | 67.8 | Low | 180 Ų | 180 | 117.8 Ų | 117.8 | 78% | 0.783 | 60% | 0.598 | S | S | * | * | trans | -84 | 152.3 | 151 | -69.9 | -174.7 | 67.8 | -179.7 | 0 | 108 | K30 V34 | K30-K32 PolarHBondContact O-N 3.03Å; K32-V34 PolarHBondContact O-N 2.89Å | ||
| 33 | K | 60.9 | Low | 70 | Confident | 131 Ų | 131 | 114.3 Ų | 114.3 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | trans | -62.7 | 123.7 | 166.2 | -156.5 | 175.3 | -175.8 | 177.6 | 0 | 107.2 | L35 S40 | K33-L35 VanDerWaalsContact C-N 3.27Å; K33-L35 WeakPolarHBondContact CG-O 3.47Å; K33-S40 WeakPolarHBondContact CE-OG 2.99Å; K33-S40 PolarHBondContact NZ-OG 2.75Å | ||
| 34 | V | 69.5 | Low | 72.4 | Confident | 70 Ų | 70 | 113 Ų | 113 | 42% | 0.424 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -71.8 | -29.5 | -177.6 | 178.4 | 0 | 0 | 0 | 0 | 110.7 | K32 K59 | K32-V34 PolarHBondContact O-N 2.89Å; V34-K59 HydrophobicContact CG1-CG 4.44Å |
| 35 | L | 85.3 | Confident | 74.5 | Confident | 6 Ų | 6 | 112.9 Ų | 112.9 | 3% | 0.031 | 56% | 0.555 | C | S | . | * | S | Bend | trans | -90.5 | 141.8 | 173.1 | -55.2 | 177.7 | 0 | 0 | 0 | 111.1 | K33 E39 F43 Q55 F58 K59 | K33-L35 VanDerWaalsContact C-N 3.27Å; K33-L35 WeakPolarHBondContact CG-O 3.47Å; L35-E39 HydrophobicContact CB-CB 3.96Å; L35-E39 HydrophobicContact CD2-CB 4.26Å; L35-F43 HydrophobicContact CD1-CB 3.62Å; L35-F43 HydrophobicContact CD1-CD1 4.13Å; L35-F43 HydrophobicContact CD1-CD2 4.32Å; L35-F43 HydrophobicContact CD1-CG 3.77Å; L35-Q55 HydrophobicContact CD1-CB 4.45Å; L35-Q55 HydrophobicContact CD1-CG 4.09Å; L35-F58 HydrophobicContact CD1-CD1 4.27Å; L35-F58 HydrophobicContact CD1-CE1 4.43Å; L35-F58 HydrophobicContact CD2-CD1 3.84Å; L35-F58 HydrophobicContact CD2-CE1 4.16Å; L35-K59 HydrophobicContact CD2-CB 3.85Å; L35-K59 HydrophobicContact CD2-CD 4.09Å; L35-K59 HydrophobicContact CD2-CG 4.32Å |
| 36 | S | 90 | Very high | 76.8 | Confident | 60 Ų | 60 | 105.1 Ų | 105.1 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | trans | -59.8 | 174.5 | 162 | -169 | 0 | 0 | 0 | 0 | 111.9 | E39 S40 | S36-E39 WeakPolarHBondContact CB-OE2 3.28Å; S36-E39 PolarHBondContact N-OE2 2.97Å; S36-E39 PolarHBondContact O-N 2.96Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.15Å | ||
| 37 | A | 91.7 | Very high | 79.1 | Confident | 78 Ų | 78 | 100.7 Ų | 100.7 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.2 | -54.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E39 S40 E41 | A37-E39 VanDerWaalsContact C-N 3.33Å; A37-E39 PolarHBondContact O-N 3.41Å; A37-S40 WeakPolarHBondContact O-CB 3.41Å; A37-S40 PolarHBondContact O-N 3.26Å; A37-S40 VanDerWaalsContact O-N 3.13Å; A37-E41 PolarHBondContact O-N 2.76Å; A37-E41 VanDerWaalsContact O-N 3.13Å |
| 38 | E | 92.3 | Very high | 81.5 | Confident | 152 Ų | 152 | 95 Ų | 95 | 71% | 0.71 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.5 | -40.8 | 177.7 | -56.6 | 168.9 | 140.6 | 0 | 0 | 112 | S40 E41 L42 | E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.48Å; E38-E41 PolarHBondContact O-N 3.41Å; E38-L42 PolarHBondContact O-N 2.98Å |
| 39 | E | 93.3 | Very high | 83.4 | Confident | 15 Ų | 15 | 94.1 Ų | 94.1 | 7% | 0.07 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -68.4 | -28.3 | 178.7 | -62.9 | 175.2 | 155.1 | 0 | 0 | 111.7 | L35 S36 A37 F43 F58 K59 V62 K66 | L35-E39 HydrophobicContact CB-CB 3.96Å; L35-E39 HydrophobicContact CD2-CB 4.26Å; S36-E39 WeakPolarHBondContact CB-OE2 3.28Å; S36-E39 PolarHBondContact N-OE2 2.97Å; S36-E39 PolarHBondContact O-N 2.96Å; A37-E39 VanDerWaalsContact C-N 3.33Å; A37-E39 PolarHBondContact O-N 3.41Å; E39-F43 WeakPolarHBondContact O-CB 3.49Å; E39-F43 PolarHBondContact O-N 3.22Å; E39-F58 VanDerWaalsContact O-CE1 3.28Å; E39-F58 WeakPolarHBondContact O-CE1 3.43Å; E39-K59 VanDerWaalsContact CD-NZ 3.32Å; E39-K59 IonicContact OE1-NZ 2.97Å; E39-K59 PolarHBondContact OE1-NZ 2.89Å; E39-K59 IonicContact OE2-NZ 2.67Å; E39-K59 PolarHBondContact OE2-NZ 3.45Å; E39-V62 HydrophobicContact CG-CG1 4.47Å; E39-K66 IonicContact OE1-NZ 2.75Å; E39-K66 PolarHBondContact OE1-NZ 3.27Å |
| 40 | S | 93.2 | Very high | 85.4 | Confident | 6 Ų | 6 | 91.5 Ų | 91.5 | 4% | 0.042 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -73.9 | -39.5 | 173.3 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | K33 S36 A37 E38 L42 F43 E44 | K33-S40 WeakPolarHBondContact CE-OG 2.99Å; K33-S40 PolarHBondContact NZ-OG 2.75Å; S36-S40 WeakPolarHBondContact O-CB 3.43Å; S36-S40 PolarHBondContact O-N 3.15Å; A37-S40 WeakPolarHBondContact O-CB 3.41Å; A37-S40 PolarHBondContact O-N 3.26Å; A37-S40 VanDerWaalsContact O-N 3.13Å; E38-S40 VanDerWaalsContact C-N 3.27Å; E38-S40 PolarHBondContact O-N 3.48Å; S40-L42 VanDerWaalsContact C-N 3.33Å; S40-F43 PolarHBondContact O-N 2.93Å; S40-E44 WeakPolarHBondContact O-CG 3.37Å; S40-E44 PolarHBondContact O-N 3.44Å; S40-E44 PolarHBondContact OG-OE1 2.67Å |
| 41 | E | 95.3 | Very high | 87.5 | Confident | 144 Ų | 144 | 87 Ų | 87 | 67% | 0.673 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 175.6 | -175 | 176.1 | -178.5 | 0 | 0 | 110.3 | A37 E38 F43 E44 L45 | A37-E41 PolarHBondContact O-N 2.76Å; A37-E41 VanDerWaalsContact O-N 3.13Å; E38-E41 PolarHBondContact O-N 3.41Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.95Å; E41-E44 PolarHBondContact O-N 3.03Å; E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.97Å |
| 42 | L | 95.9 | Very high | 89.5 | Confident | 84 Ų | 84 | 83.1 Ų | 83.1 | 44% | 0.44 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 174.3 | -170.4 | 65.4 | 0 | 0 | 0 | 112.6 | E38 S40 T46 F58 V62 | E38-L42 PolarHBondContact O-N 2.98Å; S40-L42 VanDerWaalsContact C-N 3.33Å; L42-T46 WeakPolarHBondContact O-CB 3.37Å; L42-T46 PolarHBondContact O-N 3.18Å; L42-T46 PolarHBondContact O-OG1 3.15Å; L42-F58 HydrophobicContact CB-CZ 3.97Å; L42-F58 HydrophobicContact CD2-CZ 4.03Å; L42-F58 HydrophobicContact CG-CE2 4.35Å; L42-F58 HydrophobicContact CG-CZ 3.83Å; L42-V62 HydrophobicContact CD2-CG2 4.3Å |
| 43 | F | 95.9 | Very high | 91.4 | Very high | 19 Ų | 19 | 76.4 Ų | 76.4 | 8% | 0.083 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 173.2 | 179.3 | -105.7 | 0 | 0 | 0 | 112.4 | L35 E39 S40 E41 T46 Q47 V53 Q55 F58 | L35-F43 HydrophobicContact CD1-CB 3.62Å; L35-F43 HydrophobicContact CD1-CD1 4.13Å; L35-F43 HydrophobicContact CD1-CD2 4.32Å; L35-F43 HydrophobicContact CD1-CG 3.77Å; E39-F43 WeakPolarHBondContact O-CB 3.49Å; E39-F43 PolarHBondContact O-N 3.22Å; S40-F43 PolarHBondContact O-N 2.93Å; E41-F43 VanDerWaalsContact C-N 3.32Å; E41-F43 PolarHBondContact O-N 2.95Å; F43-T46 WeakPolarHBondContact O-CB 3.4Å; F43-T46 PolarHBondContact O-N 3.5Å; F43-Q47 HydrophobicContact CZ-CG 4.4Å; F43-Q47 PolarHBondContact O-N 3.31Å; F43-V53 HydrophobicContact CE2-CG1 4.17Å; F43-V53 VanDerWaalsContact CE2-O 3.32Å; F43-V53 WeakPolarHBondContact CE2-O 3.28Å; F43-Q55 HydrophobicContact CD1-CG 4.16Å; F43-Q55 HydrophobicContact CD2-CG 4.43Å; F43-Q55 HydrophobicContact CE1-CG 3.62Å; F43-Q55 HydrophobicContact CE2-CG 3.92Å; F43-Q55 HydrophobicContact CZ-CG 3.5Å; F43-Q55 VanDerWaalsContact CZ-CG 3.5Å; F43-F58 HydrophobicContact CB-CD1 4.02Å; F43-F58 HydrophobicContact CB-CE1 3.74Å; F43-F58 HydrophobicContact CB-CE2 4.41Å; F43-F58 HydrophobicContact CB-CG 4.48Å; F43-F58 HydrophobicContact CB-CZ 3.95Å; F43-F58 HydrophobicContact CD2-CB 3.86Å; F43-F58 AromaticContact CD2-CD1 3.81Å; F43-F58 HydrophobicContact CD2-CD1 3.81Å; F43-F58 AromaticContact CD2-CD2 3.99Å; F43-F58 HydrophobicContact CD2-CD2 3.99Å; F43-F58 HydrophobicContact CD2-CE1 4.36Å; F43-F58 AromaticContact CD2-CG 3.61Å; F43-F58 HydrophobicContact CD2-CG 3.61Å; F43-F58 HydrophobicContact CE2-CB 4.16Å; F43-F58 HydrophobicContact CE2-CG 4.39Å; F43-F58 HydrophobicContact CG-CD1 4.34Å |
| 44 | E | 95.3 | Very high | 92.9 | Very high | 117 Ų | 117 | 75.8 Ų | 75.8 | 55% | 0.547 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 175.5 | -74.8 | 169.6 | -145.1 | 0 | 0 | 111.4 | S40 E41 T46 Q47 A48 | S40-E44 WeakPolarHBondContact O-CG 3.37Å; S40-E44 PolarHBondContact O-N 3.44Å; S40-E44 PolarHBondContact OG-OE1 2.67Å; E41-E44 PolarHBondContact O-N 3.03Å; E44-T46 VanDerWaalsContact C-N 3.32Å; E44-T46 PolarHBondContact O-N 3.39Å; E44-Q47 PolarHBondContact O-N 3.47Å; E44-A48 WeakPolarHBondContact O-CB 3.39Å; E44-A48 PolarHBondContact O-N 2.93Å |
| 45 | L | 97.3 | Very high | 94 | Very high | 115 Ų | 115 | 76.7 Ų | 76.7 | 60% | 0.602 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -35.9 | 172.2 | -176.7 | 61.3 | 0 | 0 | 0 | 112.5 | E41 A48 A49 | E41-L45 WeakPolarHBondContact O-CB 3.45Å; E41-L45 PolarHBondContact O-N 2.97Å; L45-A48 PolarHBondContact O-N 3.36Å; L45-A49 PolarHBondContact O-N 3.1Å |
| 46 | T | 96.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 82.2 Ų | 82.2 | 17% | 0.172 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.9 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | L42 F43 E44 A49 I51 V53 F58 | L42-T46 WeakPolarHBondContact O-CB 3.37Å; L42-T46 PolarHBondContact O-N 3.18Å; L42-T46 PolarHBondContact O-OG1 3.15Å; F43-T46 WeakPolarHBondContact O-CB 3.4Å; F43-T46 PolarHBondContact O-N 3.5Å; E44-T46 VanDerWaalsContact C-N 3.32Å; E44-T46 PolarHBondContact O-N 3.39Å; T46-A49 PolarHBondContact O-N 3.07Å; T46-I51 HydrophobicContact CG2-CB 3.79Å; T46-I51 HydrophobicContact CG2-CD1 4.47Å; T46-I51 HydrophobicContact CG2-CG2 3.92Å; T46-I51 WeakPolarHBondContact O-CB 3.32Å; T46-I51 PolarHBondContact O-N 3.35Å; T46-I51 VanDerWaalsContact O-N 3.14Å; T46-V53 HydrophobicContact CG2-CG1 4.31Å; T46-F58 HydrophobicContact CG2-CD2 4.44Å; T46-F58 HydrophobicContact CG2-CE2 4.47Å; T46-F58 WeakPolarHBondContact OG1-CE2 3.39Å |
| 47 | Q | 96.3 | Very high | 94.5 | Very high | 94 Ų | 94 | 82.2 Ų | 82.2 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.5 | -37.1 | 173 | -71.3 | -171.1 | 101.3 | 0 | 0 | 112.5 | F43 E44 A49 G50 | F43-Q47 HydrophobicContact CZ-CG 4.4Å; F43-Q47 PolarHBondContact O-N 3.31Å; E44-Q47 PolarHBondContact O-N 3.47Å; Q47-A49 PolarHBondContact O-N 2.86Å; Q47-G50 WeakPolarHBondContact O-CA 3.3Å; Q47-G50 PolarHBondContact O-N 3.49Å |
| 48 | A | 96.7 | Very high | 94.6 | Very high | 85 Ų | 85 | 79.1 Ų | 79.1 | 70% | 0.702 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -64.7 | -26.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E44 L45 G50 | E44-A48 WeakPolarHBondContact O-CB 3.39Å; E44-A48 PolarHBondContact O-N 2.93Å; L45-A48 PolarHBondContact O-N 3.36Å; A48-G50 PolarHBondContact O-N 3.33Å |
| 49 | A | 97 | Very high | 94.7 | Very high | 74 Ų | 74 | 73.7 Ų | 73.7 | 61% | 0.612 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 5.1 | 169 | 0 | 0 | 0 | 0 | 0 | 113.8 | L45 T46 Q47 | L45-A49 PolarHBondContact O-N 3.1Å; T46-A49 PolarHBondContact O-N 3.07Å; Q47-A49 PolarHBondContact O-N 2.86Å |
| 50 | G | 95.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 77.8 Ų | 77.8 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 9.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q47 A48 | Q47-G50 WeakPolarHBondContact O-CA 3.3Å; Q47-G50 PolarHBondContact O-N 3.49Å; A48-G50 PolarHBondContact O-N 3.33Å |
| 51 | I | 94.6 | Very high | 94.9 | Very high | 97 Ų | 97 | 79.8 Ų | 79.8 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | trans | -96.7 | 102.3 | -178.2 | -56.2 | 174.3 | 0 | 0 | 0 | 109.3 | T46 | T46-I51 HydrophobicContact CG2-CB 3.79Å; T46-I51 HydrophobicContact CG2-CD1 4.47Å; T46-I51 HydrophobicContact CG2-CG2 3.92Å; T46-I51 WeakPolarHBondContact O-CB 3.32Å; T46-I51 PolarHBondContact O-N 3.35Å; T46-I51 VanDerWaalsContact O-N 3.14Å | ||
| 52 | T | 93.8 | Very high | 94.9 | Very high | 127 Ų | 127 | 73.8 Ų | 73.8 | 78% | 0.779 | 42% | 0.421 | S | S | * | . | trans | -81.2 | 127.6 | 170.6 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 53 | V | 92.2 | Very high | 94.9 | Very high | 38 Ų | 38 | 72.6 Ų | 72.6 | 23% | 0.23 | 42% | 0.415 | C | S | . | . | trans | -158.9 | 147.2 | -178.4 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | F43 T46 V57 F58 | F43-V53 HydrophobicContact CE2-CG1 4.17Å; F43-V53 VanDerWaalsContact CE2-O 3.32Å; F43-V53 WeakPolarHBondContact CE2-O 3.28Å; T46-V53 HydrophobicContact CG2-CG1 4.31Å; V53-V57 HydrophobicContact CG2-CB 3.82Å; V53-V57 HydrophobicContact CG2-CG1 3.67Å; V53-F58 HydrophobicContact CG1-CB 4.12Å | ||
| 54 | D | 93.2 | Very high | 95 | Very high | 118 Ų | 118 | 74.6 Ų | 74.6 | 63% | 0.631 | 43% | 0.426 | S | S | * | . | trans | -65.3 | 144 | 175.5 | -66.7 | -55.8 | 0 | 0 | 0 | 111.8 | E56 V57 F58 | D54-E56 PolarHBondContact O-N 2.92Å; D54-V57 HydrophobicContact CB-CB 4.27Å; D54-V57 HydrophobicContact CB-CG2 4.06Å; D54-V57 PolarHBondContact O-N 3Å; D54-V57 VanDerWaalsContact O-N 3.12Å; D54-F58 WeakPolarHBondContact O-CB 3.48Å; D54-F58 PolarHBondContact O-N 3.22Å | ||
| 55 | Q | 91.9 | Very high | 95 | Very high | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.421 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.3 | -34.9 | 178.6 | -77.9 | 176.6 | 81.4 | 0 | 0 | 112.8 | L35 F43 K59 | L35-Q55 HydrophobicContact CD1-CB 4.45Å; L35-Q55 HydrophobicContact CD1-CG 4.09Å; F43-Q55 HydrophobicContact CD1-CG 4.16Å; F43-Q55 HydrophobicContact CD2-CG 4.43Å; F43-Q55 HydrophobicContact CE1-CG 3.62Å; F43-Q55 HydrophobicContact CE2-CG 3.92Å; F43-Q55 HydrophobicContact CZ-CG 3.5Å; F43-Q55 VanDerWaalsContact CZ-CG 3.5Å; Q55-K59 VanDerWaalsContact O-CB 3.23Å; Q55-K59 WeakPolarHBondContact O-CB 3.46Å; Q55-K59 PolarHBondContact O-N 3.02Å |
| 56 | E | 91.9 | Very high | 94.9 | Very high | 122 Ų | 122 | 73.1 Ų | 73.1 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -74 | -40.1 | 178.4 | -61.9 | -170.5 | 160 | 0 | 0 | 111.9 | D54 K59 I60 | D54-E56 PolarHBondContact O-N 2.92Å; E56-K59 PolarHBondContact O-N 3.41Å; E56-I60 WeakPolarHBondContact O-CD1 3.23Å; E56-I60 VanDerWaalsContact O-CG1 3.26Å; E56-I60 WeakPolarHBondContact O-CG1 3.26Å; E56-I60 PolarHBondContact O-N 2.91Å |
| 57 | V | 93.8 | Very high | 95 | Very high | 59 Ų | 59 | 78.6 Ų | 78.6 | 36% | 0.358 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | V53 D54 K59 I60 I61 | V53-V57 HydrophobicContact CG2-CB 3.82Å; V53-V57 HydrophobicContact CG2-CG1 3.67Å; D54-V57 HydrophobicContact CB-CB 4.27Å; D54-V57 HydrophobicContact CB-CG2 4.06Å; D54-V57 PolarHBondContact O-N 3Å; D54-V57 VanDerWaalsContact O-N 3.12Å; V57-K59 PolarHBondContact O-N 3.33Å; V57-I60 PolarHBondContact O-N 3.35Å; V57-I61 HydrophobicContact CG1-CD1 4.07Å; V57-I61 WeakPolarHBondContact O-CG1 3.28Å; V57-I61 PolarHBondContact O-N 3.5Å |
| 58 | F | 95.1 | Very high | 95 | Very high | 13 Ų | 13 | 81.2 Ų | 81.2 | 6% | 0.057 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 172 | 173.5 | -92.6 | 0 | 0 | 0 | 111.7 | L35 E39 L42 F43 T46 V53 D54 I60 I61 V62 | L35-F58 HydrophobicContact CD1-CD1 4.27Å; L35-F58 HydrophobicContact CD1-CE1 4.43Å; L35-F58 HydrophobicContact CD2-CD1 3.84Å; L35-F58 HydrophobicContact CD2-CE1 4.16Å; E39-F58 VanDerWaalsContact O-CE1 3.28Å; E39-F58 WeakPolarHBondContact O-CE1 3.43Å; L42-F58 HydrophobicContact CB-CZ 3.97Å; L42-F58 HydrophobicContact CD2-CZ 4.03Å; L42-F58 HydrophobicContact CG-CE2 4.35Å; L42-F58 HydrophobicContact CG-CZ 3.83Å; F43-F58 HydrophobicContact CB-CD1 4.02Å; F43-F58 HydrophobicContact CB-CE1 3.74Å; F43-F58 HydrophobicContact CB-CE2 4.41Å; F43-F58 HydrophobicContact CB-CG 4.48Å; F43-F58 HydrophobicContact CB-CZ 3.95Å; F43-F58 HydrophobicContact CD2-CB 3.86Å; F43-F58 AromaticContact CD2-CD1 3.81Å; F43-F58 HydrophobicContact CD2-CD1 3.81Å; F43-F58 AromaticContact CD2-CD2 3.99Å; F43-F58 HydrophobicContact CD2-CD2 3.99Å; F43-F58 HydrophobicContact CD2-CE1 4.36Å; F43-F58 AromaticContact CD2-CG 3.61Å; F43-F58 HydrophobicContact CD2-CG 3.61Å; F43-F58 HydrophobicContact CE2-CB 4.16Å; F43-F58 HydrophobicContact CE2-CG 4.39Å; F43-F58 HydrophobicContact CG-CD1 4.34Å; T46-F58 HydrophobicContact CG2-CD2 4.44Å; T46-F58 HydrophobicContact CG2-CE2 4.47Å; T46-F58 WeakPolarHBondContact OG1-CE2 3.39Å; V53-F58 HydrophobicContact CG1-CB 4.12Å; D54-F58 WeakPolarHBondContact O-CB 3.48Å; D54-F58 PolarHBondContact O-N 3.22Å; F58-I60 PolarHBondContact O-N 3.27Å; F58-I61 PolarHBondContact O-N 2.94Å; F58-V62 HydrophobicContact CD1-CG2 4.21Å; F58-V62 HydrophobicContact CD2-CG2 4.48Å; F58-V62 HydrophobicContact CE1-CG2 3.73Å; F58-V62 HydrophobicContact CE2-CG2 4.05Å; F58-V62 HydrophobicContact CZ-CG2 3.64Å; F58-V62 WeakPolarHBondContact O-CG2 3.35Å; F58-V62 PolarHBondContact O-N 3.13Å |
| 59 | K | 94.6 | Very high | 95.1 | Very high | 38 Ų | 38 | 79.8 Ų | 79.8 | 17% | 0.165 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.6 | -177.8 | 51 | 171.4 | 154.5 | 0 | 111.9 | V34 L35 E39 Q55 E56 V57 V62 D63 | V34-K59 HydrophobicContact CG1-CG 4.44Å; L35-K59 HydrophobicContact CD2-CB 3.85Å; L35-K59 HydrophobicContact CD2-CD 4.09Å; L35-K59 HydrophobicContact CD2-CG 4.32Å; E39-K59 VanDerWaalsContact CD-NZ 3.32Å; E39-K59 IonicContact OE1-NZ 2.97Å; E39-K59 PolarHBondContact OE1-NZ 2.89Å; E39-K59 IonicContact OE2-NZ 2.67Å; E39-K59 PolarHBondContact OE2-NZ 3.45Å; Q55-K59 VanDerWaalsContact O-CB 3.23Å; Q55-K59 WeakPolarHBondContact O-CB 3.46Å; Q55-K59 PolarHBondContact O-N 3.02Å; E56-K59 PolarHBondContact O-N 3.41Å; V57-K59 PolarHBondContact O-N 3.33Å; K59-V62 PolarHBondContact O-N 3.04Å; K59-D63 WeakPolarHBondContact CD-OD2 3.13Å; K59-D63 WeakPolarHBondContact CE-OD2 3.39Å; K59-D63 VanDerWaalsContact NZ-CG 3.25Å; K59-D63 IonicContact NZ-OD1 2.76Å; K59-D63 PolarHBondContact NZ-OD1 3.18Å; K59-D63 IonicContact NZ-OD2 3.18Å; K59-D63 PolarHBondContact NZ-OD2 3.3Å; K59-D63 WeakPolarHBondContact O-CB 3.36Å; K59-D63 PolarHBondContact O-N 3.13Å |
| 60 | I | 95 | Very high | 95.1 | Very high | 102 Ų | 102 | 78.9 Ų | 78.9 | 52% | 0.523 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 175.1 | -68.9 | 161 | 0 | 0 | 0 | 111.1 | E56 V57 F58 V62 D63 L64 | E56-I60 WeakPolarHBondContact O-CD1 3.23Å; E56-I60 VanDerWaalsContact O-CG1 3.26Å; E56-I60 WeakPolarHBondContact O-CG1 3.26Å; E56-I60 PolarHBondContact O-N 2.91Å; V57-I60 PolarHBondContact O-N 3.35Å; F58-I60 PolarHBondContact O-N 3.27Å; I60-V62 PolarHBondContact O-N 3.41Å; I60-D63 PolarHBondContact O-N 3.12Å; I60-L64 HydrophobicContact CG2-CD1 4.06Å; I60-L64 HydrophobicContact CG2-CG 4.45Å; I60-L64 WeakPolarHBondContact O-CB 3.31Å; I60-L64 VanDerWaalsContact O-CG 3.28Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 2.72Å |
| 61 | I | 95.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 80 Ų | 80 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 177.3 | -68.4 | 164.3 | 0 | 0 | 0 | 110.8 | V57 F58 L64 L65 L78 | V57-I61 HydrophobicContact CG1-CD1 4.07Å; V57-I61 WeakPolarHBondContact O-CG1 3.28Å; V57-I61 PolarHBondContact O-N 3.5Å; F58-I61 PolarHBondContact O-N 2.94Å; I61-L64 PolarHBondContact O-N 3.34Å; I61-L65 HydrophobicContact CG2-CD1 4.3Å; I61-L65 VanDerWaalsContact O-CG 3.32Å; I61-L65 WeakPolarHBondContact O-CG 3.35Å; I61-L65 PolarHBondContact O-N 3.19Å; I61-L65 VanDerWaalsContact O-N 3.15Å; I61-L78 HydrophobicContact CD1-CD1 4.06Å; I61-L78 HydrophobicContact CG1-CD1 4.28Å |
| 62 | V | 95.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 81.6 Ų | 81.6 | 10% | 0.103 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 177.8 | 167.1 | 0 | 0 | 0 | 0 | 111.9 | E39 L42 F58 K59 I60 L65 K66 | E39-V62 HydrophobicContact CG-CG1 4.47Å; L42-V62 HydrophobicContact CD2-CG2 4.3Å; F58-V62 HydrophobicContact CD1-CG2 4.21Å; F58-V62 HydrophobicContact CD2-CG2 4.48Å; F58-V62 HydrophobicContact CE1-CG2 3.73Å; F58-V62 HydrophobicContact CE2-CG2 4.05Å; F58-V62 HydrophobicContact CZ-CG2 3.64Å; F58-V62 WeakPolarHBondContact O-CG2 3.35Å; F58-V62 PolarHBondContact O-N 3.13Å; K59-V62 PolarHBondContact O-N 3.04Å; I60-V62 PolarHBondContact O-N 3.41Å; V62-L65 PolarHBondContact O-N 2.86Å; V62-K66 HydrophobicContact CG1-CD 3.58Å; V62-K66 WeakPolarHBondContact O-CD 3.48Å; V62-K66 VanDerWaalsContact O-CG 3.28Å; V62-K66 WeakPolarHBondContact O-CG 3.33Å; V62-K66 PolarHBondContact O-N 3.43Å |
| 63 | D | 96.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 77.4 Ų | 77.4 | 32% | 0.316 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.2 | -33.9 | -179.9 | -72.6 | -21.1 | 0 | 0 | 0 | 112.5 | K59 I60 K66 M67 | K59-D63 WeakPolarHBondContact CD-OD2 3.13Å; K59-D63 WeakPolarHBondContact CE-OD2 3.39Å; K59-D63 VanDerWaalsContact NZ-CG 3.25Å; K59-D63 IonicContact NZ-OD1 2.76Å; K59-D63 PolarHBondContact NZ-OD1 3.18Å; K59-D63 IonicContact NZ-OD2 3.18Å; K59-D63 PolarHBondContact NZ-OD2 3.3Å; K59-D63 WeakPolarHBondContact O-CB 3.36Å; K59-D63 PolarHBondContact O-N 3.13Å; I60-D63 PolarHBondContact O-N 3.12Å; D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.07Å; D63-M67 WeakPolarHBondContact O-CG 3.45Å; D63-M67 PolarHBondContact O-N 2.7Å |
| 64 | L | 97.3 | Very high | 95.5 | Very high | 62 Ų | 62 | 76.3 Ų | 76.3 | 33% | 0.325 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 169.9 | -73.6 | 170.6 | 0 | 0 | 0 | 111.9 | I60 I61 K66 M67 V69 V74 | I60-L64 HydrophobicContact CG2-CD1 4.06Å; I60-L64 HydrophobicContact CG2-CG 4.45Å; I60-L64 WeakPolarHBondContact O-CB 3.31Å; I60-L64 VanDerWaalsContact O-CG 3.28Å; I60-L64 WeakPolarHBondContact O-CG 3.49Å; I60-L64 PolarHBondContact O-N 2.72Å; I61-L64 PolarHBondContact O-N 3.34Å; L64-K66 VanDerWaalsContact C-N 3.35Å; L64-M67 WeakPolarHBondContact O-CB 3.47Å; L64-M67 PolarHBondContact O-N 2.94Å; L64-V69 HydrophobicContact CB-CB 4.4Å; L64-V69 HydrophobicContact CB-CG2 4.45Å; L64-V69 HydrophobicContact CD2-CG2 4.18Å; L64-V69 VanDerWaalsContact O-CB 3.3Å; L64-V69 WeakPolarHBondContact O-CB 3.44Å; L64-V69 WeakPolarHBondContact O-CG2 3.32Å; L64-V69 PolarHBondContact O-N 2.69Å; L64-V69 VanDerWaalsContact O-N 3.07Å; L64-V74 HydrophobicContact CB-CG2 4.27Å; L64-V74 HydrophobicContact CD1-CG1 4.35Å; L64-V74 HydrophobicContact CD1-CG2 4.44Å |
| 65 | L | 95.9 | Very high | 95.6 | Very high | 75 Ų | 75 | 76.6 Ų | 76.6 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 175.2 | -67.7 | 171.5 | 0 | 0 | 0 | 111.5 | I61 V62 M67 N68 P71 | I61-L65 HydrophobicContact CG2-CD1 4.3Å; I61-L65 VanDerWaalsContact O-CG 3.32Å; I61-L65 WeakPolarHBondContact O-CG 3.35Å; I61-L65 PolarHBondContact O-N 3.19Å; I61-L65 VanDerWaalsContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 2.86Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.32Å; L65-N68 WeakPolarHBondContact O-CA 3.35Å; L65-N68 PolarHBondContact O-N 3.31Å; L65-P71 HydrophobicContact CD2-CB 4.01Å; L65-P71 HydrophobicContact CD2-CG 3.7Å |
| 66 | K | 95.1 | Very high | 95.8 | Very high | 125 Ų | 125 | 78.4 Ų | 78.4 | 54% | 0.543 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.4 | -23.6 | 175.1 | -70.1 | 159.1 | 68.9 | 156.9 | 0 | 113 | E39 V62 D63 L64 N68 | E39-K66 IonicContact OE1-NZ 2.75Å; E39-K66 PolarHBondContact OE1-NZ 3.27Å; V62-K66 HydrophobicContact CG1-CD 3.58Å; V62-K66 WeakPolarHBondContact O-CD 3.48Å; V62-K66 VanDerWaalsContact O-CG 3.28Å; V62-K66 WeakPolarHBondContact O-CG 3.33Å; V62-K66 PolarHBondContact O-N 3.43Å; D63-K66 CarbonylContact O-C 3.59Å; D63-K66 PolarHBondContact O-N 3.07Å; L64-K66 VanDerWaalsContact C-N 3.35Å; K66-N68 PolarHBondContact O-N 2.95Å |
| 67 | M | 97.6 | Very high | 95.9 | Very high | 143 Ų | 143 | 76.4 Ų | 76.4 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | 4.5 | 167.4 | -73.9 | -175.6 | 66 | 0 | 0 | 114.1 | D63 L64 L65 V69 | D63-M67 WeakPolarHBondContact O-CG 3.45Å; D63-M67 PolarHBondContact O-N 2.7Å; L64-M67 WeakPolarHBondContact O-CB 3.47Å; L64-M67 PolarHBondContact O-N 2.94Å; L65-M67 VanDerWaalsContact C-N 3.27Å; L65-M67 PolarHBondContact O-N 3.32Å; M67-V69 VanDerWaalsContact C-N 3.29Å; M67-V69 HydrophobicContact CB-CG2 4.37Å; M67-V69 PolarHBondContact O-N 2.93Å |
| 68 | N | 96.2 | Very high | 95.8 | Very high | 150 Ų | 150 | 77 Ų | 77 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 22.3 | -175.5 | -49.9 | -90.8 | 0 | 0 | 0 | 114.4 | L65 K66 A70 | L65-N68 WeakPolarHBondContact O-CA 3.35Å; L65-N68 PolarHBondContact O-N 3.31Å; K66-N68 PolarHBondContact O-N 2.95Å; N68-A70 PolarHBondContact O-N 2.88Å |
| 69 | V | 98.2 | Very high | 95.6 | Very high | 54 Ų | 54 | 83.3 Ų | 83.3 | 33% | 0.327 | 44% | 0.435 | S | S | . | . | trans | -68.7 | 126.5 | 169 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | L64 M67 A73 V74 | L64-V69 HydrophobicContact CB-CB 4.4Å; L64-V69 HydrophobicContact CB-CG2 4.45Å; L64-V69 HydrophobicContact CD2-CG2 4.18Å; L64-V69 VanDerWaalsContact O-CB 3.3Å; L64-V69 WeakPolarHBondContact O-CB 3.44Å; L64-V69 WeakPolarHBondContact O-CG2 3.32Å; L64-V69 PolarHBondContact O-N 2.69Å; L64-V69 VanDerWaalsContact O-N 3.07Å; M67-V69 VanDerWaalsContact C-N 3.29Å; M67-V69 HydrophobicContact CB-CG2 4.37Å; M67-V69 PolarHBondContact O-N 2.93Å; V69-A73 HydrophobicContact CG1-CB 4.38Å; V69-V74 HydrophobicContact CB-CG2 4.32Å; V69-V74 HydrophobicContact CG1-CG2 3.78Å | ||
| 70 | A | 97.6 | Very high | 95.4 | Very high | 55 Ų | 55 | 84.8 Ų | 84.8 | 46% | 0.455 | 45% | 0.454 | S | S | . | . | trans | -58.4 | 131.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N68 Q72 A73 V74 | N68-A70 PolarHBondContact O-N 2.88Å; A70-Q72 PolarHBondContact O-N 3.3Å; A70-Q72 VanDerWaalsContact O-N 3.07Å; A70-A73 HydrophobicContact CB-CB 4.43Å; A70-A73 WeakPolarHBondContact O-CB 3.34Å; A70-A73 PolarHBondContact O-N 3.03Å; A70-V74 PolarHBondContact O-N 2.9Å | ||
| 71 | P | 95.8 | Very high | 95 | Very high | 87 Ų | 87 | 86.1 Ų | 86.1 | 57% | 0.565 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -53.9 | -35.6 | -178.4 | -24.5 | 28.7 | 0 | 0 | 0 | 113.6 | L65 A73 V74 F75 | L65-P71 HydrophobicContact CD2-CB 4.01Å; L65-P71 HydrophobicContact CD2-CG 3.7Å; P71-A73 VanDerWaalsContact C-N 3.32Å; P71-A73 PolarHBondContact O-N 3.25Å; P71-V74 PolarHBondContact O-N 3.28Å; P71-F75 WeakPolarHBondContact O-CB 3.24Å; P71-F75 PolarHBondContact O-N 2.96Å |
| 72 | Q | 96.8 | Very high | 94.2 | Very high | 132 Ų | 132 | 88 Ų | 88 | 62% | 0.617 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -31 | 177.3 | -59.5 | -62.4 | -11.8 | 0 | 0 | 112.9 | A70 Q76 | A70-Q72 PolarHBondContact O-N 3.3Å; A70-Q72 VanDerWaalsContact O-N 3.07Å; Q72-Q76 WeakPolarHBondContact O-CB 3.33Å; Q72-Q76 VanDerWaalsContact O-CG 3.24Å; Q72-Q76 WeakPolarHBondContact O-CG 3.39Å; Q72-Q76 PolarHBondContact O-N 2.87Å; Q72-Q76 VanDerWaalsContact O-N 3.07Å; Q72-Q76 PolarHBondContact O-NE2 3.07Å |
| 73 | A | 96.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 91.3 Ų | 91.3 | 32% | 0.322 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.1 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | V69 A70 P71 T77 | V69-A73 HydrophobicContact CG1-CB 4.38Å; A70-A73 HydrophobicContact CB-CB 4.43Å; A70-A73 WeakPolarHBondContact O-CB 3.34Å; A70-A73 PolarHBondContact O-N 3.03Å; P71-A73 VanDerWaalsContact C-N 3.32Å; P71-A73 PolarHBondContact O-N 3.25Å; A73-T77 VanDerWaalsContact O-CB 3.31Å; A73-T77 WeakPolarHBondContact O-CB 3.36Å; A73-T77 PolarHBondContact O-N 2.95Å; A73-T77 PolarHBondContact O-OG1 2.92Å |
| 74 | V | 96.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 91.3 Ų | 91.3 | 9% | 0.085 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 174.5 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | L64 V69 A70 P71 T77 L78 | L64-V74 HydrophobicContact CB-CG2 4.27Å; L64-V74 HydrophobicContact CD1-CG1 4.35Å; L64-V74 HydrophobicContact CD1-CG2 4.44Å; V69-V74 HydrophobicContact CB-CG2 4.32Å; V69-V74 HydrophobicContact CG1-CG2 3.78Å; A70-V74 PolarHBondContact O-N 2.9Å; P71-V74 PolarHBondContact O-N 3.28Å; V74-T77 PolarHBondContact O-N 3.18Å; V74-L78 HydrophobicContact CG1-CD1 3.98Å; V74-L78 HydrophobicContact CG1-CG 4.46Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.43Å |
| 75 | F | 94.1 | Very high | 89 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 54% | 0.544 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 178.3 | 177.9 | -109.6 | 0 | 0 | 0 | 113.1 | P71 K79 | P71-F75 WeakPolarHBondContact O-CB 3.24Å; P71-F75 PolarHBondContact O-N 2.96Å; F75-K79 HydrophobicContact CE1-CD 4.48Å; F75-K79 HydrophobicContact CZ-CD 4.48Å; F75-K79 VanDerWaalsContact O-CB 3.28Å; F75-K79 WeakPolarHBondContact O-CB 3.28Å; F75-K79 PolarHBondContact O-N 2.87Å |
| 76 | Q | 95.6 | Very high | 86.8 | Confident | 129 Ų | 129 | 101.3 Ų | 101.3 | 60% | 0.603 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.5 | -41 | 176.9 | -75.8 | 171.9 | 102.5 | 0 | 0 | 112.3 | Q72 K79 A80 | Q72-Q76 WeakPolarHBondContact O-CB 3.33Å; Q72-Q76 VanDerWaalsContact O-CG 3.24Å; Q72-Q76 WeakPolarHBondContact O-CG 3.39Å; Q72-Q76 PolarHBondContact O-N 2.87Å; Q72-Q76 VanDerWaalsContact O-N 3.07Å; Q72-Q76 PolarHBondContact O-NE2 3.07Å; Q76-K79 PolarHBondContact O-N 2.9Å; Q76-A80 WeakPolarHBondContact O-CB 3.3Å; Q76-A80 PolarHBondContact O-N 3.44Å |
| 77 | T | 94.8 | Very high | 84.3 | Confident | 80 Ų | 80 | 100.8 Ų | 100.8 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -49.3 | 178.2 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | A73 V74 K79 A80 M81 | A73-T77 VanDerWaalsContact O-CB 3.31Å; A73-T77 WeakPolarHBondContact O-CB 3.36Å; A73-T77 PolarHBondContact O-N 2.95Å; A73-T77 PolarHBondContact O-OG1 2.92Å; V74-T77 PolarHBondContact O-N 3.18Å; T77-K79 PolarHBondContact O-N 3.36Å; T77-A80 PolarHBondContact O-N 3.25Å; T77-M81 HydrophobicContact CG2-SD 3.9Å; T77-M81 VanDerWaalsContact O-CG 3.3Å; T77-M81 WeakPolarHBondContact O-CG 3.45Å; T77-M81 PolarHBondContact O-N 3.11Å |
| 78 | L | 92.5 | Very high | 81.6 | Confident | 71 Ų | 71 | 100.7 Ų | 100.7 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.3 | -47.5 | 176.3 | -69.1 | 171.2 | 0 | 0 | 0 | 111.3 | I61 V74 A80 M81 C82 | I61-L78 HydrophobicContact CD1-CD1 4.06Å; I61-L78 HydrophobicContact CG1-CD1 4.28Å; V74-L78 HydrophobicContact CG1-CD1 3.98Å; V74-L78 HydrophobicContact CG1-CG 4.46Å; V74-L78 WeakPolarHBondContact O-CG 3.39Å; V74-L78 PolarHBondContact O-N 3.43Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.47Å; L78-M81 PolarHBondContact O-N 3.24Å; L78-C82 PolarHBondContact O-N 3.12Å; L78-C82 PolarHBondContact O-SG 3.41Å |
| 79 | K | 91.1 | Very high | 78.9 | Confident | 146 Ų | 146 | 102.3 Ų | 102.3 | 64% | 0.635 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.2 | -38.2 | 177.8 | -176.3 | 177.5 | 178.5 | -178.6 | 0 | 112.8 | F75 Q76 T77 | F75-K79 HydrophobicContact CE1-CD 4.48Å; F75-K79 HydrophobicContact CZ-CD 4.48Å; F75-K79 VanDerWaalsContact O-CB 3.28Å; F75-K79 WeakPolarHBondContact O-CB 3.28Å; F75-K79 PolarHBondContact O-N 2.87Å; Q76-K79 PolarHBondContact O-N 2.9Å; T77-K79 PolarHBondContact O-N 3.36Å |
| 80 | A | 90.1 | Very high | 76 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q76 T77 L78 C82 A83 | Q76-A80 WeakPolarHBondContact O-CB 3.3Å; Q76-A80 PolarHBondContact O-N 3.44Å; T77-A80 PolarHBondContact O-N 3.25Å; L78-A80 VanDerWaalsContact C-N 3.31Å; L78-A80 PolarHBondContact O-N 3.47Å; A80-C82 VanDerWaalsContact C-N 3.31Å; A80-C82 PolarHBondContact O-N 3.28Å; A80-A83 WeakPolarHBondContact O-CB 3.43Å; A80-A83 PolarHBondContact O-N 3.04Å; A80-A83 VanDerWaalsContact O-N 3.12Å |
| 81 | M | 86.3 | Confident | 73.1 | Confident | 130 Ų | 130 | 108.1 Ų | 108.1 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -62.3 | -36.2 | 176.5 | -72.6 | 168.6 | 60.5 | 0 | 0 | 112.4 | T77 L78 A83 G84 | T77-M81 HydrophobicContact CG2-SD 3.9Å; T77-M81 VanDerWaalsContact O-CG 3.3Å; T77-M81 WeakPolarHBondContact O-CG 3.45Å; T77-M81 PolarHBondContact O-N 3.11Å; L78-M81 PolarHBondContact O-N 3.24Å; M81-A83 PolarHBondContact O-N 3.15Å; M81-A83 VanDerWaalsContact O-N 3.15Å; M81-G84 PolarHBondContact O-N 2.88Å; M81-G84 VanDerWaalsContact O-N 3.11Å |
| 82 | C | 77.9 | Confident | 70.5 | Confident | 87 Ų | 87 | 108.2 Ų | 108.2 | 59% | 0.588 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -57 | -27.1 | 174 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | L78 A80 G84 L85 | L78-C82 PolarHBondContact O-N 3.12Å; L78-C82 PolarHBondContact O-SG 3.41Å; A80-C82 VanDerWaalsContact C-N 3.31Å; A80-C82 PolarHBondContact O-N 3.28Å; C82-G84 PolarHBondContact O-N 3.34Å; C82-L85 PolarHBondContact O-N 3.34Å |
| 83 | A | 63 | Low | 67.5 | Low | 87 Ų | 87 | 110.4 Ų | 110.4 | 72% | 0.719 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -16.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A80 M81 | A80-A83 WeakPolarHBondContact O-CB 3.43Å; A80-A83 PolarHBondContact O-N 3.04Å; A80-A83 VanDerWaalsContact O-N 3.12Å; M81-A83 PolarHBondContact O-N 3.15Å; M81-A83 VanDerWaalsContact O-N 3.15Å |
| 84 | G | 58.1 | Low | 65.2 | Low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -27.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M81 C82 R86 | M81-G84 PolarHBondContact O-N 2.88Å; M81-G84 VanDerWaalsContact O-N 3.11Å; C82-G84 PolarHBondContact O-N 3.34Å; G84-R86 PolarHBondContact O-N 3.14Å |
| 85 | L | 58.4 | Low | 62.4 | Low | 125 Ų | 125 | 116.9 Ų | 116.9 | 65% | 0.654 | 68% | 0.675 | S | S | * | * | trans | -101.1 | 89.2 | -167.4 | -166.2 | 71 | 0 | 0 | 0 | 111.5 | C82 V87 | C82-L85 PolarHBondContact O-N 3.34Å; L85-V87 HydrophobicContact CD2-CG2 3.7Å; L85-V87 HydrophobicContact CG-CG2 3.74Å; L85-V87 PolarHBondContact O-N 3.3Å | ||
| 86 | R | 49.3 | Very low | 59.9 | Low | 222 Ų | 222 | 119 Ų | 119 | 84% | 0.838 | 69% | 0.687 | S | S | * | * | trans | -74 | 78.7 | 168.4 | 62.2 | -155.4 | 72 | -166.8 | -0.8 | 110.1 | G84 T88 | G84-R86 PolarHBondContact O-N 3.14Å; R86-T88 PolarHBondContact O-N 3.46Å | ||
| 87 | V | 43.6 | Very low | 57 | Low | 113 Ų | 113 | 119.3 Ų | 119.3 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | trans | -59.1 | 125 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | L85 | L85-V87 HydrophobicContact CD2-CG2 3.7Å; L85-V87 HydrophobicContact CG-CG2 3.74Å; L85-V87 PolarHBondContact O-N 3.3Å | ||
| 88 | T | 41.2 | Very low | 54.6 | Low | 141 Ų | 141 | 120.3 Ų | 120.3 | 87% | 0.865 | 71% | 0.714 | S | S | * | * | trans | -110.1 | 93.8 | 170.1 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | R86 | R86-T88 PolarHBondContact O-N 3.46Š| ||
| 89 | E | 38.8 | Very low | 52 | Low | 185 Ų | 185 | 122.5 Ų | 122.5 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | trans | -143.1 | 155.5 | 161.7 | -158.2 | 170.7 | 86.5 | 0 | 0 | 109.6 | ||||
| 90 | S | 38.2 | Very low | 49.6 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -92.4 | 125 | -157.6 | 177.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 91 | S | 35.2 | Very low | 47.1 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | -152.3 | 109.3 | 147.3 | -167.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 92 | A | 41.1 | Very low | 44.6 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 61.2 | 143.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 93 | E | 35 | Very low | 42.6 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 53.7 | 109 | 169.5 | -152.3 | 175.9 | 126.6 | 0 | 0 | 119.5 | ||||
| 94 | S | 47.3 | Very low | 41.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -76.2 | 116.5 | 163.9 | 150.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 95 | S | 37.8 | Very low | 40.8 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 51% | 0.51 | 79% | 0.79 | S | S | . | * | trans | -161.3 | 119.4 | 156.7 | -89.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 96 | H | 42.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 131 Ų | 131 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | trans | 59.7 | 138.2 | 150.9 | -45.6 | -45.6 | 0 | 0 | 0 | 119.4 | ||||
| 97 | T | 34.9 | Very low | 39.5 | Very low | 134 Ų | 134 | 127 Ų | 127 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | cis | -160.2 | 135.3 | -9.7 | 13.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 98 | A | 43.9 | Very low | 39.1 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -140.7 | 86.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 99 | S | 38.3 | Very low | 39 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -147.4 | 78.9 | 171.7 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 100 | T | 40.2 | Very low | 38.9 | Very low | 148 Ų | 148 | 128.4 Ų | 128.4 | 91% | 0.908 | 79% | 0.788 | S | S | * | * | trans | -92.7 | 100.1 | 168.2 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 101 | T | 37.3 | Very low | 38.9 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -138.8 | 116.3 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 102 | A | 33.9 | Very low | 39.3 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 59 | 138.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 103 | A | 35.9 | Very low | 39.6 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -100.5 | -170.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 104 | P | 45.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | cis | -128.2 | 175.1 | -11.3 | 40.5 | -26 | 0 | 0 | 0 | 113.6 | ||||
| 105 | A | 37.6 | Very low | 39 | Very low | 100 Ų | 100 | 129 Ų | 129 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | -145.9 | 114.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 106 | E | 39.1 | Very low | 38.9 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -95.5 | 118.7 | 179.5 | -64.2 | -146 | 127.4 | 0 | 0 | 112.2 | ||||
| 107 | V | 42.3 | Very low | 38.9 | Very low | 137 Ų | 137 | 130 Ų | 130 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | -165.7 | 146.1 | 154.2 | -92.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 108 | K | 35.3 | Very low | 39.1 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | cis | 172.8 | 130.6 | -9.1 | 168.3 | 177.8 | 165.3 | 67.3 | 0 | 102.8 | ||||
| 109 | E | 38.6 | Very low | 39 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 18 | 119.1 | 157.9 | -56.1 | 139.6 | -125.1 | 0 | 0 | 119.7 | ||||
| 110 | E | 36.2 | Very low | 38.9 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | -162.7 | 139.9 | 109.5 | -153.4 | -172.4 | 91.4 | 0 | 0 | 111.7 | S112 | E110-S112 WeakPolarHBondContact OE1-CB 3.37Å; E110-S112 PolarHBondContact OE1-OG 2.96Å | |||
| 111 | E | 38.4 | Very low | 39 | Very low | 158 Ų | 158 | 134 Ų | 134 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | -90.6 | 112.1 | 159.3 | 179.5 | -146.8 | 139.7 | 0 | 0 | 108.6 | L113 | E111-L113 HydrophobicContact CG-CG 4.49Å; E111-L113 WeakPolarHBondContact OE1-CD1 3.36Å | ||
| 112 | S | 44.5 | Very low | 38.9 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -124.1 | 88.5 | 176.9 | -124.7 | 0 | 0 | 0 | 0 | 111.6 | E110 | E110-S112 WeakPolarHBondContact OE1-CB 3.37Å; E110-S112 PolarHBondContact OE1-OG 2.96Å | ||
| 113 | L | 47.1 | Very low | 39 | Very low | 138 Ų | 138 | 132 Ų | 132 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 165.2 | 166.7 | -64.8 | 174.7 | 0 | 0 | 0 | 110.9 | E111 | E111-L113 HydrophobicContact CG-CG 4.49Å; E111-L113 WeakPolarHBondContact OE1-CD1 3.36Å | ||
| 114 | V | 29.9 | Very low | 39.2 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 109.3 | 119.8 | 154.8 | 101.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 115 | S | 40.3 | Very low | 39 | Very low | 90 Ų | 90 | 133.3 Ų | 133.3 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -2.9 | 129 | 154 | 149.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 116 | G | 34.9 | Very low | 39.4 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -134.2 | 153.9 | 156.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 117 | K | 42.3 | Very low | 39.7 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | -114.4 | 156.1 | -178.3 | -71.7 | 113.1 | 174 | 175 | 0 | 113.2 | ||||
| 118 | S | 40.5 | Very low | 39.6 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -73.7 | 146.4 | -179.3 | -34.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 119 | P | 41.3 | Very low | 40 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -104.6 | -171.9 | 159.1 | -8.6 | 29.4 | 0 | 0 | 0 | 115.3 | ||||
| 120 | K | 36.7 | Very low | 40.6 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -144.6 | 169.3 | -167.2 | -94.9 | 179 | 168.9 | -179.7 | 0 | 110 | ||||
| 121 | L | 40.9 | Very low | 41.2 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | cis | -158.6 | 153.4 | 9.4 | -135.5 | 174.7 | 0 | 0 | 0 | 109.8 | ||||
| 122 | A | 35.1 | Very low | 41.7 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 63.6 | 162.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 123 | A | 36.6 | Very low | 41.8 | Very low | 93 Ų | 93 | 131.1 Ų | 131.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -172.7 | 161.6 | -19.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 124 | A | 40.4 | Very low | 41.7 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | cis | -166.6 | -168.2 | -18.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 125 | H | 41.6 | Very low | 43.2 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | cis | -153 | 146 | 10.7 | -46.8 | -119.6 | 0 | 0 | 0 | 109.8 | ||||
| 126 | H | 45.3 | Very low | 43.5 | Very low | 201 Ų | 201 | 134.2 Ų | 134.2 | 93% | 0.931 | 79% | 0.794 | S | S | * | * | trans | -139.9 | 136.1 | 150 | -76.2 | -53.4 | 0 | 0 | 0 | 110.1 | ||||
| 127 | S | 45.4 | Very low | 44.4 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -88.1 | 165.7 | 173.5 | -50.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 128 | A | 41.3 | Very low | 45.2 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -155.9 | 165.7 | 14.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 129 | S | 43.8 | Very low | 46.3 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | 67 | 102.8 | 142.7 | -160.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 130 | A | 50.5 | Low | 47.3 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 155.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R132 | A130-R132 PolarHBondContact O-N 3Š|
| 131 | P | 48.1 | Very low | 48.5 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.9 | 171.1 | 28.7 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 132 | R | 49.2 | Very low | 49.6 | Very low | 242 Ų | 242 | 134.3 Ų | 134.3 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 124.2 | 173.6 | -79.8 | -179.5 | 164.5 | 164.8 | -4.4 | 110.6 | A130 A134 | A130-R132 PolarHBondContact O-N 3Å; R132-A134 PolarHBondContact O-N 3.36Å |
| 133 | S | 47.7 | Very low | 50.3 | Low | 126 Ų | 126 | 140.2 Ų | 140.2 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -63.7 | 99.1 | 171 | -53.2 | 0 | 0 | 0 | 0 | 111 | R135 | S133-R135 PolarHBondContact O-N 3.35Š| ||
| 134 | A | 44.9 | Very low | 50.9 | Low | 82 Ų | 82 | 138.4 Ų | 138.4 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 111.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R132 V136 | R132-A134 PolarHBondContact O-N 3.36Å; A134-V136 HydrophobicContact CB-CG2 3.99Å; A134-V136 PolarHBondContact O-N 2.9Å | ||
| 135 | R | 60.1 | Low | 51.3 | Low | 252 Ų | 252 | 141.2 Ų | 141.2 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 75.5 | 172.4 | -172.5 | -168.6 | 179.5 | -159.8 | 1.3 | 110.2 | S133 N137 | S133-R135 PolarHBondContact O-N 3.35Å; R135-N137 PolarHBondContact O-N 2.92Å | ||
| 136 | V | 46.4 | Very low | 51.4 | Low | 101 Ų | 101 | 141.7 Ų | 141.7 | 61% | 0.612 | 79% | 0.79 | S | S | * | * | trans | -79.5 | 119.4 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 110 | A134 T138 | A134-V136 HydrophobicContact CB-CG2 3.99Å; A134-V136 PolarHBondContact O-N 2.9Å; V136-T138 HydrophobicContact CG1-CG2 3.62Å; V136-T138 WeakPolarHBondContact CG1-OG1 3.19Å; V136-T138 PolarHBondContact O-N 3.47Å | ||
| 137 | N | 53.5 | Low | 51.3 | Low | 156 Ų | 156 | 138.5 Ų | 138.5 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -95.4 | 76.5 | 172.7 | -178.5 | 21.5 | 0 | 0 | 0 | 109.8 | R135 | R135-N137 PolarHBondContact O-N 2.92Š| ||
| 138 | T | 59.2 | Low | 51.3 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -108.2 | 139.6 | 177.6 | 34.7 | 0 | 0 | 0 | 0 | 111.9 | V136 | V136-T138 HydrophobicContact CG1-CG2 3.62Å; V136-T138 WeakPolarHBondContact CG1-OG1 3.19Å; V136-T138 PolarHBondContact O-N 3.47Å | ||
| 139 | K | 63.3 | Low | 51.2 | Low | 195 Ų | 195 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -84.9 | 118.2 | -176.9 | -55.1 | 178.7 | -172.3 | 178.9 | 0 | 108.4 | V141 | K139-V141 PolarHBondContact O-N 3.34Š| ||
| 140 | I | 63.4 | Low | 50.9 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | -71.3 | 127.9 | -176.8 | -63.1 | 171.8 | 0 | 0 | 0 | 109.8 | V142 | I140-V142 HydrophobicContact CG2-CG2 3.63Š| ||
| 141 | V | 62.8 | Low | 50.4 | Low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -122.9 | 107.2 | 162.3 | 174.4 | 0 | 0 | 0 | 0 | 106.8 | K139 Y143 | K139-V141 PolarHBondContact O-N 3.34Å; V141-Y143 HydrophobicContact CG1-CD2 3.99Å; V141-Y143 HydrophobicContact CG1-CE2 4.35Å | ||
| 142 | V | 62.7 | Low | 50 | Low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -93.2 | 110.7 | 172 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | I140 | I140-V142 HydrophobicContact CG2-CG2 3.63Š| ||
| 143 | Y | 51 | Low | 49.4 | Very low | 217 Ų | 217 | 134.9 Ų | 134.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -95.3 | 130.8 | 153.4 | -96.3 | -100.3 | 0 | 0 | 0 | 107.8 | V141 | V141-Y143 HydrophobicContact CG1-CD2 3.99Å; V141-Y143 HydrophobicContact CG1-CE2 4.35Å | ||
| 144 | G | 48.8 | Very low | 49.3 | Very low | 56 Ų | 56 | 135.1 Ų | 135.1 | 58% | 0.577 | 76% | 0.764 | S | S | * | * | trans | -84.9 | 164.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q146 | G144-Q146 PolarHBondContact O-N 3.3Š| ||
| 145 | P | 48.7 | Very low | 49 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 87% | 0.87 | 77% | 0.77 | S | S | * | * | trans | -78.9 | 106.1 | 174.5 | 31.7 | -32.1 | 0 | 0 | 0 | 110.5 | ||||
| 146 | Q | 44.1 | Very low | 48.1 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -142.9 | 142.6 | 168.6 | -159.3 | 138.6 | 91.6 | 0 | 0 | 108.8 | G144 | G144-Q146 PolarHBondContact O-N 3.3Š| ||
| 147 | D | 42.3 | Very low | 47.7 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 56.3 | 97.8 | -177 | -77.2 | -80.6 | 0 | 0 | 0 | 118.5 | S149 | D147-S149 PolarHBondContact OD1-OG 3.2Š| ||
| 148 | A | 45.8 | Very low | 47.3 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 96% | 0.959 | 78% | 0.776 | S | S | * | * | trans | -119.7 | 73.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 149 | S | 39.3 | Very low | 46.8 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | trans | -119.4 | 131.9 | -172.7 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | D147 | D147-S149 PolarHBondContact OD1-OG 3.2Š| ||
| 150 | S | 36.6 | Very low | 45.4 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | 69.3 | 154.6 | 177.2 | -124.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 151 | A | 40.4 | Very low | 44.2 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | cis | -150.2 | -166.6 | 4.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 152 | H | 39.1 | Very low | 42.9 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | cis | -160.9 | 121.7 | 3.7 | 178.6 | 37.5 | 0 | 0 | 0 | 110.9 | Q154 | H152-Q154 WeakPolarHBondContact CE1-CG 3.42Å; H152-Q154 PolarHBondContact NE2-NE2 3.05Å | ||
| 153 | S | 37.3 | Very low | 41.8 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -165.6 | 90.9 | 155.1 | -161.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 154 | Q | 45.7 | Very low | 41.1 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 62% | 0.617 | 77% | 0.774 | S | S | * | * | 65.4 | 108.6 | 93.4 | -68.1 | -156.9 | 49.1 | 0 | 0 | 116.7 | H152 | H152-Q154 WeakPolarHBondContact CE1-CG 3.42Å; H152-Q154 PolarHBondContact NE2-NE2 3.05Å | |||
| 155 | V | 38.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | -175.6 | 154.5 | 119.2 | 144.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 156 | R | 40.7 | Very low | 40.2 | Very low | 216 Ų | 216 | 137.8 Ų | 137.8 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | 96.1 | 82 | 165.4 | -157.8 | 160.1 | -70.4 | 178.9 | -0.2 | 119.8 | ||||
| 157 | N | 37.7 | Very low | 40 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | 58 | 133.6 | 129.9 | -56.6 | 29.5 | 0 | 0 | 0 | 122.6 | |||||
| 158 | K | 46.3 | Very low | 40 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -106.7 | 175.9 | 154.6 | -103.1 | -178.8 | 178.5 | 178.1 | 0 | 108.5 | ||||
| 159 | P | 47.2 | Very low | 39.8 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -138.9 | 166.9 | 17.9 | 41.9 | -24.1 | 0 | 0 | 0 | 118.8 | ||||
| 160 | G | 33.8 | Very low | 40.1 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 79.1 | 167.8 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 161 | A | 39.6 | Very low | 40.5 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | cis | -171.4 | 153.6 | -24.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 162 | S | 35.4 | Very low | 40.7 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | trans | 76.8 | 138.6 | 155.6 | -56.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 163 | Q | 38.5 | Very low | 41.1 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | 64.1 | 123.1 | 150.3 | -68.9 | 179.7 | -55.4 | 0 | 0 | 119.2 | ||||
| 164 | S | 36.8 | Very low | 41.6 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | cis | 83.7 | 134.8 | 48.6 | 81.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 165 | E | 38.3 | Very low | 41.6 | Very low | 181 Ų | 181 | 149.1 Ų | 149.1 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | cis | -152 | -177.6 | 24.4 | -81.9 | -158 | 111.8 | 0 | 0 | 113.9 | ||||
| 166 | K | 40.2 | Very low | 42.3 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 87 | 103.5 | 147.3 | -149.3 | 172.4 | -170.9 | 173 | 0 | 116.3 | ||||
| 167 | S | 39.4 | Very low | 42.9 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | 82 | 91.2 | 50.2 | -169.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 168 | R | 43.8 | Very low | 43.4 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | -178.5 | 131.1 | 116.4 | -104.3 | 177.9 | 170.7 | 148.7 | -1.2 | 113 | |||||
| 169 | E | 40.6 | Very low | 43.6 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -114.7 | 134.8 | 154.7 | 177 | 154 | 93.2 | 0 | 0 | 106.3 | ||||
| 170 | P | 45.3 | Very low | 43.4 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | -148.4 | 148.6 | 100.4 | 38.4 | -21.8 | 0 | 0 | 0 | 115.1 | |||||
| 171 | S | 44.6 | Very low | 44.2 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | 171.2 | 136.7 | 110.7 | -168.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 172 | S | 46.6 | Very low | 45 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -86.9 | 141.8 | 179.8 | -61.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 173 | Q | 45.7 | Very low | 45.7 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -139.1 | 134.5 | 137.9 | -157.2 | 166 | 15.4 | 0 | 0 | 111.4 | ||||
| 174 | K | 49.6 | Very low | 46 | Very low | 165 Ų | 165 | 150.9 Ų | 150.9 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | trans | -92.3 | 138.7 | -171.9 | -57.9 | 179.1 | 179.9 | -176.4 | 0 | 111.6 | ||||
| 175 | V | 45.3 | Very low | 46.5 | Very low | 139 Ų | 139 | 154.7 Ų | 154.7 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | trans | -131.5 | 61.2 | 143.9 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | R177 | V175-R177 PolarHBondContact O-N 3.48Å; V175-R177 VanDerWaalsContact O-N 3.1Å | ||
| 176 | Q | 52.3 | Low | 47 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 65% | 0.65 | 82% | 0.816 | S | S | * | * | trans | -74.3 | 95 | 175.9 | -176.4 | -176.9 | 7.1 | 0 | 0 | 109.7 | Q178 | Q176-Q178 HydrophobicContact CG-CG 4.22Å; Q176-Q178 PolarHBondContact O-N 2.59Å | ||
| 177 | R | 53.1 | Low | 47.2 | Very low | 238 Ų | 238 | 152.9 Ų | 152.9 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -70.6 | 97.7 | 173.8 | -68.6 | -177.8 | 69.5 | -161.5 | 1.4 | 110.1 | V175 | V175-R177 PolarHBondContact O-N 3.48Å; V175-R177 VanDerWaalsContact O-N 3.1Å | ||
| 178 | Q | 48.8 | Very low | 48 | Very low | 151 Ų | 151 | 158 Ų | 158 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -100.6 | 157 | 168.1 | -87.2 | -75.6 | -67.3 | 0 | 0 | 110.8 | Q176 | Q176-Q178 HydrophobicContact CG-CG 4.22Å; Q176-Q178 PolarHBondContact O-N 2.59Å | ||
| 179 | P | 50.4 | Low | 48.2 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 71% | 0.708 | 82% | 0.815 | S | S | * | * | trans | -87.5 | 152.1 | -169.1 | 35 | -34.9 | 0 | 0 | 0 | 113.2 | ||||
| 180 | S | 43.3 | Very low | 48.7 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -107.9 | 109.1 | 167.9 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 181 | A | 51 | Low | 48.4 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -91.3 | 119.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 182 | T | 57.1 | Low | 48.6 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -113.2 | 115.4 | 170 | -56 | 0 | 0 | 0 | 0 | 110.2 | G184 | T182-G184 PolarHBondContact O-N 3.46Š| ||
| 183 | R | 49.6 | Very low | 48.5 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -72.8 | 97.1 | -176.9 | 175 | -177.9 | 173.7 | -177 | -1.8 | 111.4 | ||||
| 184 | G | 45.4 | Very low | 48.4 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 146.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T182 | T182-G184 PolarHBondContact O-N 3.46Š|
| 185 | Q | 45.7 | Very low | 48.1 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 160.6 | -173.8 | -60.4 | -176 | 13.4 | 0 | 0 | 113.2 | T187 | Q185-T187 PolarHBondContact O-N 3.29Š|
| 186 | K | 50.4 | Low | 48.3 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 119.7 | 169.4 | -66.2 | -178.9 | 179.8 | -179.6 | 0 | 110.3 | ||
| 187 | T | 44.4 | Very low | 48.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -127.7 | 154.8 | 156.3 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | Q185 | Q185-T187 PolarHBondContact O-N 3.29Š| ||
| 188 | K | 54.8 | Low | 48.4 | Very low | 213 Ų | 213 | 136 Ų | 136 | 93% | 0.926 | 82% | 0.82 | S | S | * | * | trans | -110.5 | 123.4 | 177.7 | -50.1 | 170.5 | -171.2 | 172.6 | 0 | 107.1 | ||||
| 189 | S | 48 | Very low | 48.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -159.4 | 100.7 | 172.1 | 44.4 | 0 | 0 | 0 | 0 | 110.8 | G191 | S189-G191 PolarHBondContact O-N 2.9Š| ||
| 190 | S | 50.8 | Low | 48.2 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -65 | 118.3 | 156.6 | 47.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 191 | G | 40.7 | Very low | 48.6 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | -122.5 | 119.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | S189 | S189-G191 PolarHBondContact O-N 2.9Š| ||
| 192 | S | 47.7 | Very low | 48.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 84% | 0.844 | S | S | * | * | trans | -86.3 | 139.6 | -174.9 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 193 | S | 44.9 | Very low | 47.8 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -137.3 | 70.4 | 172 | -64.8 | 0 | 0 | 0 | 0 | 111.1 | S195 | S193-S195 PolarHBondContact O-N 3.5Å; S193-S195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | S | 43.9 | Very low | 47.8 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 85% | 0.846 | 84% | 0.841 | S | S | * | * | trans | -73.4 | 96.9 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 110.1 | S196 | S194-S196 PolarHBondContact O-N 2.97Š| ||
| 195 | S | 43.3 | Very low | 47.9 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -74.9 | 108.9 | 176.2 | -164.4 | 0 | 0 | 0 | 0 | 110.1 | S193 | S193-S195 PolarHBondContact O-N 3.5Å; S193-S195 VanDerWaalsContact O-N 3.1Å | ||
| 196 | S | 49.2 | Very low | 48 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 85% | 0.847 | S | S | * | * | trans | -93 | 117.1 | 179.5 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | S194 | S194-S196 PolarHBondContact O-N 2.97Š| ||
| 197 | S | 55.2 | Low | 47.9 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 84% | 0.843 | S | S | * | * | trans | -100.7 | 114.7 | 172.9 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | I199 | S197-I199 PolarHBondContact O-N 3.3Š| ||
| 198 | Q | 51.9 | Low | 48.1 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 125.5 | 172.3 | -70 | 178.9 | -23.1 | 0 | 0 | 110.1 | ||
| 199 | I | 49.8 | Very low | 47.6 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 79% | 0.785 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 128.7 | 163.4 | 51.7 | 172.3 | 0 | 0 | 0 | 108.9 | S197 | S197-I199 PolarHBondContact O-N 3.3Š|
| 200 | N | 46 | Very low | 47.6 | Very low | 159 Ų | 159 | 129.5 Ų | 129.5 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 141.8 | 170.3 | -171.2 | 23.5 | 0 | 0 | 0 | 109.4 | ||
| 201 | S | 51.4 | Low | 47.3 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 62% | 0.615 | 85% | 0.845 | S | S | * | * | trans | -159.1 | 129.1 | 177.8 | -72.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 202 | S | 43.9 | Very low | 47.9 | Very low | 199 Ų | 199 | 134.9 Ų | 134.9 | 100% | 1.392 | 85% | 0.853 | S | S | * | * | trans | 65 | 0 | 172.9 | -57.2 | 0 | 0 | 0 | 0 | 116.3 |
Retrieved 202 of 202 residues in 119.5 ms
(Link to these results)