| 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 | 42.8 | Very low | 46 | Very low | 218 Ų | 218 | 141.5 Ų | 141.5 | 100% | 1.074 | 83% | 0.825 | S | S | * | * | 0 | 114.5 | 0 | -53.9 | 74.6 | 172.1 | 0 | 0 | 107.8 | |||||
| 2 | E | 52.1 | Low | 46.1 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 71% | 0.71 | 82% | 0.823 | S | S | * | * | cis | -159.5 | 137.9 | -13.9 | -120.7 | 137.8 | 106.1 | 0 | 0 | 110 | ||||
| 3 | N | 44.8 | Very low | 46.3 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | trans | 45.3 | 88.6 | 155.8 | -53.9 | -24.4 | 0 | 0 | 0 | 118.7 | E5 | N3-E5 PolarHBondContact O-N 3.09Š| ||
| 4 | C | 41.8 | Very low | 46.3 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | trans | -72.1 | 72.5 | 158.9 | -67.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 5 | E | 38.9 | Very low | 46.5 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -132.5 | 111.5 | 169.6 | -86.1 | -144.4 | 83.3 | 0 | 0 | 112.9 | N3 | N3-E5 PolarHBondContact O-N 3.09Š| ||
| 6 | V | 53.4 | Low | 46.7 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -134.4 | 63.6 | 149.6 | -76.9 | 0 | 0 | 0 | 0 | 108.4 | F8 | V6-F8 PolarHBondContact O-N 2.93Š| ||
| 7 | L | 48.3 | Very low | 46.8 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 73% | 0.728 | 82% | 0.823 | S | S | * | * | trans | -56.2 | 124.1 | 171.5 | -169.4 | 74.9 | 0 | 0 | 0 | 109.1 | P9 | L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å | ||
| 8 | F | 48.3 | Very low | 47 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -77 | 113.1 | 170.7 | -74.2 | -84.5 | 0 | 0 | 0 | 108.7 | V6 G10 | V6-F8 PolarHBondContact O-N 2.93Å; F8-G10 PolarHBondContact O-N 3.37Å | ||
| 9 | P | 55.2 | Low | 47.2 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | trans | -73.4 | 116.8 | -178.6 | 29.4 | -33.8 | 0 | 0 | 0 | 110.6 | L7 G11 | L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å; P9-G11 PolarHBondContact O-N 2.89Å; P9-G11 VanDerWaalsContact O-N 3.1Å | ||
| 10 | G | 37.2 | Very low | 47.7 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 96% | 0.959 | 82% | 0.82 | S | S | * | * | trans | -72.4 | 93.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | F8 | F8-G10 PolarHBondContact O-N 3.37Š| ||
| 11 | G | 42.8 | Very low | 48 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -122 | 128.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P9 | P9-G11 PolarHBondContact O-N 2.89Å; P9-G11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | S | 47.8 | Very low | 48.3 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 159 | 178.5 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 13 | S | 48 | Very low | 48.5 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 56.3 | 109.2 | 171 | -65.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 14 | G | 47.1 | Very low | 48.8 | Very low | 79 Ų | 79 | 129 Ų | 129 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -170.4 | 99.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 15 | A | 49.1 | Very low | 49.2 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -82.6 | 122.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | N | 50.1 | Low | 49.9 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -158.9 | 116.3 | 153.6 | -120.3 | -51.3 | 0 | 0 | 0 | 110.5 | F18 | N16-F18 PolarHBondContact O-N 3.49Š| ||
| 17 | A | 47.6 | Very low | 49.7 | Very low | 96 Ų | 96 | 137.6 Ų | 137.6 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | trans | -103.7 | 73.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 18 | F | 50.9 | Low | 50.1 | Low | 168 Ų | 168 | 134.5 Ų | 134.5 | 74% | 0.737 | 77% | 0.773 | S | S | * | * | trans | -132.8 | 121.2 | 175.2 | -73.1 | -79.5 | 0 | 0 | 0 | 114.6 | N16 | N16-F18 PolarHBondContact O-N 3.49Š| ||
| 19 | T | 49.9 | Very low | 50.8 | Low | 138 Ų | 138 | 130 Ų | 130 | 85% | 0.847 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 58.7 | 55.1 | 150.3 | 63.5 | 0 | 0 | 0 | 0 | 119 | ||
| 20 | R | 57.2 | Low | 51.8 | Low | 215 Ų | 215 | 129.5 Ų | 129.5 | 81% | 0.811 | 75% | 0.751 | S | S | * | * | trans | -136.7 | 132.1 | 161.6 | -62.5 | -176.4 | 125.9 | -94.4 | 1.5 | 110.5 | E22 | R20-E22 PolarHBondContact O-N 3.3Š| ||
| 21 | P | 54 | Low | 53.7 | Low | 121 Ų | 121 | 128.7 Ų | 128.7 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -63.5 | 136.2 | 171.7 | 27 | -33 | 0 | 0 | 0 | 109.5 | Q23 | P21-Q23 VanDerWaalsContact C-N 3.26Å; P21-Q23 PolarHBondContact O-N 2.58Å | ||
| 22 | E | 49.5 | Very low | 55.8 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 66% | 0.659 | 70% | 0.699 | S | S | * | * | trans | -69.6 | 85.4 | 176.4 | -172.5 | 79.6 | 75.5 | 0 | 0 | 109 | R20 E24 R25 | R20-E22 PolarHBondContact O-N 3.3Å; E22-E24 PolarHBondContact O-N 3.4Å; E22-R25 IonicContact OE2-CZ 3.9Å; E22-R25 IonicContact OE2-NH1 2.73Å; E22-R25 PolarHBondContact OE2-NH1 3.09Å | ||
| 23 | Q | 56 | Low | 57.5 | Low | 92 Ų | 92 | 129.3 Ų | 129.3 | 43% | 0.43 | 69% | 0.694 | S | S | . | * | trans | -69.9 | 87.7 | 171 | -171 | 173.5 | 6.1 | 0 | 0 | 107.4 | P21 R25 T61 | P21-Q23 VanDerWaalsContact C-N 3.26Å; P21-Q23 PolarHBondContact O-N 2.58Å; Q23-R25 PolarHBondContact O-N 2.81Å; Q23-T61 PolarHBondContact NE2-O 2.93Å | ||
| 24 | E | 52.2 | Low | 59.3 | Low | 123 Ų | 123 | 130.1 Ų | 130.1 | 58% | 0.575 | 68% | 0.684 | S | S | * | * | trans | -39.7 | 127.1 | -170.9 | -72.2 | -170.7 | 85.2 | 0 | 0 | 112 | E22 K26 | E22-E24 PolarHBondContact O-N 3.4Å; E24-K26 HydrophobicContact CB-CD 4.28Å; E24-K26 HydrophobicContact CB-CG 4.36Å; E24-K26 PolarHBondContact O-N 2.86Å; E24-K26 WeakPolarHBondContact OE1-CE 3.01Å; E24-K26 IonicContact OE1-NZ 2.74Å; E24-K26 PolarHBondContact OE1-NZ 3.42Å; E24-K26 IonicContact OE2-NZ 2.76Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å | ||
| 25 | R | 50.7 | Low | 61.3 | Low | 210 Ų | 210 | 126.8 Ų | 126.8 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | trans | -74.4 | 41.5 | -175.9 | -64.7 | 177.9 | 177.8 | 75.8 | -6.3 | 113.2 | E22 Q23 | E22-R25 IonicContact OE2-CZ 3.9Å; E22-R25 IonicContact OE2-NH1 2.73Å; E22-R25 PolarHBondContact OE2-NH1 3.09Å; Q23-R25 PolarHBondContact O-N 2.81Å | ||
| 26 | K | 53.4 | Low | 63.1 | Low | 148 Ų | 148 | 124.6 Ų | 124.6 | 64% | 0.643 | 62% | 0.62 | S | S | * | * | trans | -67.5 | 132.6 | 171 | -73 | 168.6 | 179 | 161.7 | 0 | 108.6 | E24 G28 | E24-K26 HydrophobicContact CB-CD 4.28Å; E24-K26 HydrophobicContact CB-CG 4.36Å; E24-K26 PolarHBondContact O-N 2.86Å; E24-K26 WeakPolarHBondContact OE1-CE 3.01Å; E24-K26 IonicContact OE1-NZ 2.74Å; E24-K26 PolarHBondContact OE1-NZ 3.42Å; E24-K26 IonicContact OE2-NZ 2.76Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å; K26-G28 PolarHBondContact O-N 3.13Å | ||
| 27 | R | 48.9 | Very low | 65 | Low | 250 Ų | 250 | 123.5 Ų | 123.5 | 94% | 0.943 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -70 | 112.6 | -158.5 | -62.7 | 178.1 | -178.6 | -178.3 | -0.4 | 112.1 | Q29 | R27-Q29 PolarHBondContact O-N 3.33Š|
| 28 | G | 55.8 | Low | 67 | Low | 75 Ų | 75 | 121.7 Ų | 121.7 | 77% | 0.773 | 58% | 0.584 | S | S | * | * | trans | 59.3 | 47.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | K26 | K26-G28 PolarHBondContact O-N 3.13Š| ||
| 29 | Q | 62.8 | Low | 68.9 | Low | 103 Ų | 103 | 113.7 Ų | 113.7 | 48% | 0.481 | 55% | 0.549 | S | S | . | . | trans | -51.4 | 122.7 | 172.4 | -174.8 | 179.7 | -48.7 | 0 | 0 | 110.4 | R27 E35 R62 | R27-Q29 PolarHBondContact O-N 3.33Å; Q29-E35 PolarHBondContact NE2-OE1 2.85Å; Q29-E35 PolarHBondContact NE2-OE2 2.79Å; Q29-R62 PolarHBondContact O-NH1 3.44Å; Q29-R62 PolarHBondContact O-NH2 2.74Å | ||
| 30 | P | 76.4 | Confident | 70.8 | Confident | 103 Ų | 103 | 110 Ų | 110 | 67% | 0.669 | 52% | 0.524 | S | S | * | . | trans | -65.2 | 158.6 | 173.7 | 29.1 | -35.2 | 0 | 0 | 0 | 110.2 | T32 R62 | P30-T32 PolarHBondContact O-N 3.14Å; P30-T32 VanDerWaalsContact O-N 3.1Å; P30-R62 PolarHBondContact O-NH2 2.6Å | ||
| 31 | W | 77.5 | Confident | 72.4 | Confident | 77 Ų | 77 | 103.7 Ų | 103.7 | 29% | 0.292 | 51% | 0.506 | S | S | . | . | trans | -64.6 | 112.5 | 174.1 | -79.8 | 90.6 | 0 | 0 | 0 | 109.6 | E35 V59 R62 Q66 V67 H70 | W31-E35 HydrophobicContact CE3-CB 4Å; W31-E35 HydrophobicContact CZ3-CB 4.34Å; W31-V59 HydrophobicContact CH2-CG1 4.49Å; W31-V59 HydrophobicContact CZ3-CG1 4.03Å; W31-R62 HydrophobicContact CH2-CB 4.05Å; W31-R62 HydrophobicContact CH2-CG 3.66Å; W31-R62 HydrophobicContact CZ2-CB 4.46Å; W31-R62 HydrophobicContact CZ2-CG 4.01Å; W31-R62 HydrophobicContact CZ3-CG 3.95Å; W31-Q66 HydrophobicContact CZ2-CB 4.38Å; W31-V67 HydrophobicContact CH2-CG2 4.27Å; W31-H70 AromaticContact CD1-ND1 3.83Å; W31-H70 HydrophobicContact CD2-CB 4.41Å; W31-H70 AromaticContact CD2-CD2 3.87Å; W31-H70 AromaticContact CD2-CE1 3.86Å; W31-H70 AromaticContact CD2-CG 3.8Å; W31-H70 AromaticContact CD2-ND1 3.83Å; W31-H70 AromaticContact CD2-NE2 3.9Å; W31-H70 AromaticContact CE2-CD2 3.94Å; W31-H70 AromaticContact CE2-CG 3.49Å; W31-H70 VanDerWaalsContact CE2-CG 3.49Å; W31-H70 AromaticContact CE2-ND1 3.72Å; W31-H70 AromaticContact CE3-CD2 3.75Å; W31-H70 AromaticContact CE3-NE2 3.83Å; W31-H70 AromaticContact CG-CE1 3.88Å; W31-H70 AromaticContact CG-ND1 3.95Å; W31-H70 HydrophobicContact CH2-CB 3.82Å; W31-H70 AromaticContact CH2-CD2 3.84Å; W31-H70 AromaticContact CH2-CG 3.94Å; W31-H70 HydrophobicContact CZ2-CB 3.29Å; W31-H70 AromaticContact CZ2-CD2 3.97Å; W31-H70 AromaticContact CZ2-CG 3.6Å; W31-H70 AromaticContact CZ3-CD2 3.72Å; W31-H70 AromaticContact NE1-CG 3.87Å; W31-H70 AromaticContact NE1-ND1 3.68Å | ||
| 32 | T | 86.3 | Confident | 74.1 | Confident | 54 Ų | 54 | 97.9 Ų | 97.9 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | trans | -73.1 | 157.1 | 174.9 | 73 | 0 | 0 | 0 | 0 | 110.4 | P30 E34 E35 H36 | P30-T32 PolarHBondContact O-N 3.14Å; P30-T32 VanDerWaalsContact O-N 3.1Å; T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-N 3.39Å; T32-E35 PolarHBondContact N-OE2 2.76Å; T32-E35 VanDerWaalsContact N-OE2 3.1Å; T32-E35 PolarHBondContact O-N 3.18Å; T32-E35 WeakPolarHBondContact OG1-CG 3.13Å; T32-E35 PolarHBondContact OG1-N 2.98Å; T32-E35 PolarHBondContact OG1-OE2 2.92Å; T32-H36 WeakPolarHBondContact O-CB 3.16Å; T32-H36 PolarHBondContact O-N 3.31Å | ||
| 33 | E | 84.4 | Confident | 76 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61 | -28.9 | 173.4 | -70.2 | -175.3 | 65.6 | 0 | 0 | 112.6 | H36 K37 | E33-H36 PolarHBondContact O-N 3.35Å; E33-K37 WeakPolarHBondContact O-CB 3.16Å; E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.49Å; E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.41Å; E33-K37 IonicContact OE1-NZ 3.87Å |
| 34 | E | 86.7 | Confident | 77.5 | Confident | 140 Ų | 140 | 96.7 Ų | 96.7 | 65% | 0.654 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -70.1 | -49.3 | 175.7 | -173.9 | 169.9 | 84.2 | 0 | 0 | 111.5 | T32 H36 K37 L38 | T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-N 3.39Å; E34-H36 PolarHBondContact O-N 3.25Å; E34-K37 PolarHBondContact O-N 3.4Å; E34-K37 VanDerWaalsContact O-N 3.15Å; E34-L38 HydrophobicContact CG-CD1 4.01Å; E34-L38 WeakPolarHBondContact O-CB 3.23Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.45Å |
| 35 | E | 87.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 97.8 Ų | 97.8 | 4% | 0.037 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -57.4 | -34.9 | 171.6 | -70.2 | 177.7 | 110 | 0 | 0 | 111.5 | Q29 W31 T32 F39 V59 T61 R62 | Q29-E35 PolarHBondContact NE2-OE1 2.85Å; Q29-E35 PolarHBondContact NE2-OE2 2.79Å; W31-E35 HydrophobicContact CE3-CB 4Å; W31-E35 HydrophobicContact CZ3-CB 4.34Å; T32-E35 PolarHBondContact N-OE2 2.76Å; T32-E35 VanDerWaalsContact N-OE2 3.1Å; T32-E35 PolarHBondContact O-N 3.18Å; T32-E35 WeakPolarHBondContact OG1-CG 3.13Å; T32-E35 PolarHBondContact OG1-N 2.98Å; T32-E35 PolarHBondContact OG1-OE2 2.92Å; E35-F39 VanDerWaalsContact O-CB 3.3Å; E35-F39 WeakPolarHBondContact O-CB 3.16Å; E35-F39 PolarHBondContact O-N 3.45Å; E35-V59 HydrophobicContact CB-CG1 4.02Å; E35-V59 HydrophobicContact CG-CG1 4.11Å; E35-T61 WeakPolarHBondContact OE1-CB 3.32Å; E35-T61 PolarHBondContact OE1-OG1 3.15Å; E35-R62 IonicContact OE1-CZ 3.62Å; E35-R62 IonicContact OE1-NE 3.65Å; E35-R62 PolarHBondContact OE1-NE 3.23Å; E35-R62 IonicContact OE1-NH2 2.73Å; E35-R62 PolarHBondContact OE1-NH2 2.91Å; E35-R62 IonicContact OE2-CZ 3.4Å; E35-R62 IonicContact OE2-NE 2.69Å; E35-R62 IonicContact OE2-NH2 3.21Å; E35-R62 PolarHBondContact OE2-NH2 2.95Å |
| 36 | H | 87.8 | Confident | 81 | Confident | 57 Ų | 57 | 92 Ų | 92 | 26% | 0.264 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.4 | -43.7 | 175.5 | -170.1 | 22.7 | 0 | 0 | 0 | 112.9 | T32 E33 E34 L38 F39 L40 H70 Y74 | T32-H36 WeakPolarHBondContact O-CB 3.16Å; T32-H36 PolarHBondContact O-N 3.31Å; E33-H36 PolarHBondContact O-N 3.35Å; E34-H36 PolarHBondContact O-N 3.25Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 PolarHBondContact O-N 2.85Å; H36-F39 AromaticContact ND1-CD1 3.75Å; H36-F39 WeakPolarHBondContact O-CB 3.47Å; H36-F39 PolarHBondContact O-N 3.46Å; H36-L40 WeakPolarHBondContact O-CG 3.43Å; H36-L40 PolarHBondContact O-N 2.96Å; H36-H70 AromaticContact ND1-NE2 3.62Å; H36-Y74 AromaticContact CE1-CD2 3.57Å; H36-Y74 AromaticContact CE1-CE2 3.68Å; H36-Y74 AromaticContact NE2-CE2 3.93Å |
| 37 | K | 89.8 | Confident | 82.5 | Confident | 130 Ų | 130 | 86.4 Ų | 86.4 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59 | -43.4 | 173.7 | -73.7 | 157.7 | -169.2 | 166.4 | 0 | 110.9 | E33 E34 L40 L41 | E33-K37 WeakPolarHBondContact O-CB 3.16Å; E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.49Å; E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.41Å; E33-K37 IonicContact OE1-NZ 3.87Å; E34-K37 PolarHBondContact O-N 3.4Å; E34-K37 VanDerWaalsContact O-N 3.15Å; K37-L40 PolarHBondContact O-N 2.81Å; K37-L41 WeakPolarHBondContact O-CB 3.41Å; K37-L41 PolarHBondContact O-N 2.88Å |
| 38 | L | 90.1 | Very high | 84 | Confident | 57 Ų | 57 | 84.5 Ų | 84.5 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 175.5 | -71.2 | 164.8 | 0 | 0 | 0 | 111.8 | E34 H36 L41 G42 F58 V59 | E34-L38 HydrophobicContact CG-CD1 4.01Å; E34-L38 WeakPolarHBondContact O-CB 3.23Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.45Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 PolarHBondContact O-N 2.85Å; L38-L41 PolarHBondContact O-N 2.87Å; L38-G42 PolarHBondContact O-N 2.89Å; L38-F58 HydrophobicContact CB-CB 4.19Å; L38-F58 WeakPolarHBondContact CB-O 3.02Å; L38-F58 WeakPolarHBondContact CD1-O 3.28Å; L38-F58 HydrophobicContact CD2-CD1 4.17Å; L38-F58 WeakPolarHBondContact O-CB 3.3Å; L38-V59 HydrophobicContact CB-CG2 4.17Å |
| 39 | F | 89 | Confident | 85.2 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.2 | -45 | 171.4 | 167.7 | -99.7 | 0 | 0 | 0 | 112.8 | E35 H36 G42 L43 W51 I54 V59 V67 H70 A71 Y74 | E35-F39 VanDerWaalsContact O-CB 3.3Å; E35-F39 WeakPolarHBondContact O-CB 3.16Å; E35-F39 PolarHBondContact O-N 3.45Å; H36-F39 AromaticContact ND1-CD1 3.75Å; H36-F39 WeakPolarHBondContact O-CB 3.47Å; H36-F39 PolarHBondContact O-N 3.46Å; F39-G42 PolarHBondContact O-N 3.07Å; F39-L43 HydrophobicContact CD1-CD1 4.26Å; F39-L43 HydrophobicContact CE1-CD1 3.47Å; F39-L43 VanDerWaalsContact CE1-CD1 3.47Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CE2-CD1 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.19Å; F39-L43 HydrophobicContact CZ-CD1 3.51Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 3.82Å; F39-L43 PolarHBondContact O-N 3.32Å; F39-W51 HydrophobicContact CE2-CZ3 4.08Å; F39-I54 HydrophobicContact CD2-CG2 4.12Å; F39-V59 HydrophobicContact CB-CG2 4.13Å; F39-V67 HydrophobicContact CD2-CG1 3.94Å; F39-V67 HydrophobicContact CE2-CG1 3.93Å; F39-H70 AromaticContact CD1-CD2 3.98Å; F39-A71 HydrophobicContact CE2-CB 3.82Å; F39-A71 HydrophobicContact CZ-CB 3.62Å; F39-Y74 HydrophobicContact CE1-CD1 4.18Å; F39-Y74 HydrophobicContact CE1-CG 4.05Å |
| 40 | L | 90.1 | Very high | 86.5 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 33% | 0.325 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.3 | -67.5 | 176.3 | 0 | 0 | 0 | 112.1 | H36 K37 G42 L43 K44 Y74 | H36-L40 WeakPolarHBondContact O-CG 3.43Å; H36-L40 PolarHBondContact O-N 2.96Å; K37-L40 PolarHBondContact O-N 2.81Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 3.25Å; L40-K44 PolarHBondContact O-N 2.9Å; L40-Y74 HydrophobicContact CD2-CD2 4.47Å; L40-Y74 HydrophobicContact CD2-CE1 3.98Å; L40-Y74 HydrophobicContact CD2-CE2 3.77Å |
| 41 | L | 90.7 | Very high | 87.1 | Confident | 81 Ų | 81 | 78.6 Ų | 78.6 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.8 | -39.2 | 173.4 | -174.1 | 57.4 | 0 | 0 | 0 | 111.2 | K37 L38 K44 K45 F58 | K37-L41 WeakPolarHBondContact O-CB 3.41Å; K37-L41 PolarHBondContact O-N 2.88Å; L38-L41 PolarHBondContact O-N 2.87Å; L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 3.27Å; L41-K45 HydrophobicContact CD1-CG 4.19Å; L41-K45 HydrophobicContact CG-CG 4.43Å; L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 VanDerWaalsContact O-CG 3.29Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.16Å; L41-F58 HydrophobicContact CB-CD1 4.33Å; L41-F58 HydrophobicContact CB-CE1 4.16Å; L41-F58 HydrophobicContact CD2-CD1 4.23Å; L41-F58 HydrophobicContact CD2-CE1 3.63Å; L41-F58 HydrophobicContact CG-CD1 4.24Å; L41-F58 HydrophobicContact CG-CE1 3.6Å; L41-F58 HydrophobicContact CG-CZ 4.14Å |
| 42 | G | 90.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L38 F39 L40 K44 K45 Y46 F58 | L38-G42 PolarHBondContact O-N 2.89Å; F39-G42 PolarHBondContact O-N 3.07Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-K44 VanDerWaalsContact C-N 3.28Å; G42-K44 PolarHBondContact O-N 3.44Å; G42-K45 PolarHBondContact O-N 2.92Å; G42-K45 VanDerWaalsContact O-N 3.16Å; G42-Y46 PolarHBondContact O-N 3.24Å; G42-F58 VanDerWaalsContact CA-CD2 3.41Å |
| 43 | L | 88.7 | Confident | 87.7 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 13% | 0.131 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.5 | -40 | 171.3 | -80.3 | 179.8 | 0 | 0 | 0 | 112.2 | F39 L40 G47 W51 I54 Y74 F75 | F39-L43 HydrophobicContact CD1-CD1 4.26Å; F39-L43 HydrophobicContact CE1-CD1 3.47Å; F39-L43 VanDerWaalsContact CE1-CD1 3.47Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CE2-CD1 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.19Å; F39-L43 HydrophobicContact CZ-CD1 3.51Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 3.82Å; F39-L43 PolarHBondContact O-N 3.32Å; L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 3.25Å; L43-G47 WeakPolarHBondContact O-CA 3.29Å; L43-G47 PolarHBondContact O-N 3.48Å; L43-W51 HydrophobicContact CD2-CH2 3.73Å; L43-W51 HydrophobicContact CD2-CZ3 3.57Å; L43-I54 HydrophobicContact CD2-CD1 4.35Å; L43-Y74 HydrophobicContact CD1-CD1 4.29Å; L43-Y74 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CZ 4.32Å; L43-F75 HydrophobicContact CD2-CE1 4.5Å; L43-F75 HydrophobicContact CD2-CZ 3.82Å |
| 44 | K | 87.9 | Confident | 87.8 | Confident | 183 Ų | 183 | 76.9 Ų | 76.9 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -72.7 | -25.8 | 177.9 | -170.8 | 174 | -179.3 | 178.6 | 0 | 113.2 | L40 L41 G42 | L40-K44 PolarHBondContact O-N 2.9Å; L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 3.27Å; G42-K44 VanDerWaalsContact C-N 3.28Å; G42-K44 PolarHBondContact O-N 3.44Å |
| 45 | K | 89.3 | Confident | 87.9 | Confident | 145 Ų | 145 | 70.7 Ų | 70.7 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -97.4 | -32.4 | -174.6 | -74.6 | -68.4 | -58.6 | -177.1 | 0 | 114.7 | L41 G42 F58 | L41-K45 HydrophobicContact CD1-CG 4.19Å; L41-K45 HydrophobicContact CG-CG 4.43Å; L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 VanDerWaalsContact O-CG 3.29Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.16Å; G42-K45 PolarHBondContact O-N 2.92Å; G42-K45 VanDerWaalsContact O-N 3.16Å; K45-F58 HydrophobicContact CB-CE2 4.07Å; K45-F58 HydrophobicContact CB-CZ 4.04Å; K45-F58 HydrophobicContact CG-CZ 3.98Å |
| 46 | Y | 87 | Confident | 87.9 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 35% | 0.349 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -116 | -10.1 | 177.8 | -61 | -69.4 | 0 | 0 | 0 | 114 | G42 D50 N53 I54 N57 F58 | G42-Y46 PolarHBondContact O-N 3.24Å; Y46-D50 HydrophobicContact CG-CB 4.28Å; Y46-N53 HydrophobicContact CD1-CB 4.07Å; Y46-N53 HydrophobicContact CD2-CB 3.9Å; Y46-N53 HydrophobicContact CE1-CB 3.96Å; Y46-N53 HydrophobicContact CE2-CB 3.76Å; Y46-N53 HydrophobicContact CG-CB 4.06Å; Y46-I54 HydrophobicContact CD2-CG1 3.93Å; Y46-N57 HydrophobicContact CE2-CB 4.26Å; Y46-N57 VanDerWaalsContact OH-CG 3.22Å; Y46-N57 PolarHBondContact OH-ND2 2.9Å; Y46-F58 HydrophobicContact CD2-CD2 4.29Å; Y46-F58 AromaticContact CD2-CE2 3.96Å; Y46-F58 HydrophobicContact CD2-CE2 3.96Å; Y46-F58 AromaticContact CE2-CD2 3.9Å; Y46-F58 HydrophobicContact CE2-CD2 3.9Å; Y46-F58 AromaticContact CE2-CE2 3.52Å; Y46-F58 HydrophobicContact CE2-CE2 3.52Å |
| 47 | G | 84.6 | Confident | 88 | Confident | 30 Ų | 30 | 80.3 Ų | 80.3 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | trans | 83.2 | -159.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L43 | L43-G47 WeakPolarHBondContact O-CA 3.29Å; L43-G47 PolarHBondContact O-N 3.48Å | ||
| 48 | R | 81.5 | Confident | 87.8 | Confident | 210 Ų | 210 | 76 Ų | 76 | 79% | 0.792 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -100.4 | 115.4 | -178.2 | -44.3 | -178.9 | -159.5 | 169.3 | 5.5 | 109 | W51 F75 | R48-W51 HydrophobicContact CB-CH2 4.48Å; R48-F75 HydrophobicContact CB-CZ 4.24Å; R48-F75 HydrophobicContact CG-CE1 4.38Å; R48-F75 HydrophobicContact CG-CZ 3.88Å |
| 49 | G | 80.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 73.3 Ų | 73.3 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 131.6 | -29.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | W51 | G49-W51 PolarHBondContact O-N 3.37Å; G49-W51 PolarHBondContact O-NE1 3.1Å |
| 50 | D | 90 | Very high | 87.3 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | trans | -80.8 | 40.9 | -172.6 | -108.9 | -75.1 | 0 | 0 | 0 | 114.6 | Y46 R52 N53 I54 | Y46-D50 HydrophobicContact CG-CB 4.28Å; D50-R52 PolarHBondContact O-N 3.1Å; D50-N53 HydrophobicContact CB-CB 4.38Å; D50-N53 WeakPolarHBondContact O-CA 3.47Å; D50-N53 PolarHBondContact O-N 2.84Å; D50-N53 PolarHBondContact OD1-ND2 3.19Å; D50-I54 WeakPolarHBondContact O-CG1 3.39Å; D50-I54 PolarHBondContact O-N 3.5Å | ||
| 51 | W | 88.4 | Confident | 86.8 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.1 | -27.6 | -172.6 | -44.4 | 119 | 0 | 0 | 0 | 113.6 | F39 L43 R48 G49 I54 S55 V67 V68 A71 F75 | F39-W51 HydrophobicContact CE2-CZ3 4.08Å; L43-W51 HydrophobicContact CD2-CH2 3.73Å; L43-W51 HydrophobicContact CD2-CZ3 3.57Å; R48-W51 HydrophobicContact CB-CH2 4.48Å; G49-W51 PolarHBondContact O-N 3.37Å; G49-W51 PolarHBondContact O-NE1 3.1Å; W51-I54 HydrophobicContact CE3-CD1 3.77Å; W51-I54 HydrophobicContact CZ3-CD1 3.83Å; W51-S55 WeakPolarHBondContact O-CB 3.3Å; W51-S55 PolarHBondContact O-N 2.87Å; W51-V67 HydrophobicContact CB-CG1 4.27Å; W51-V67 HydrophobicContact CE3-CG1 3.8Å; W51-V68 HydrophobicContact CB-CG2 3.8Å; W51-V68 HydrophobicContact CD2-CG2 4.28Å; W51-V68 HydrophobicContact CG-CG2 3.49Å; W51-V68 VanDerWaalsContact CG-CG2 3.49Å; W51-A71 HydrophobicContact CE3-CB 4.09Å; W51-A71 HydrophobicContact CH2-CB 3.52Å; W51-A71 HydrophobicContact CZ2-CB 4.06Å; W51-A71 HydrophobicContact CZ3-CB 3.53Å; W51-F75 AromaticContact CH2-CE2 3.72Å; W51-F75 HydrophobicContact CH2-CE2 3.72Å; W51-F75 AromaticContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CZ2-CE2 4.19Å |
| 52 | R | 88.6 | Confident | 86.4 | Confident | 180 Ų | 180 | 78 Ų | 78 | 68% | 0.679 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69.7 | -39.3 | 174.7 | -57.2 | 179.1 | 81.9 | 179.2 | 6 | 111.8 | D50 R56 P64 | D50-R52 PolarHBondContact O-N 3.1Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 VanDerWaalsContact O-CG 3.3Å; R52-R56 WeakPolarHBondContact O-CG 3.3Å; R52-R56 PolarHBondContact O-N 3.17Å; R52-R56 VanDerWaalsContact O-N 3.14Å; R52-P64 HydrophobicContact CG-CB 4.25Å |
| 53 | N | 88.9 | Confident | 86.2 | Confident | 60 Ų | 60 | 79.9 Ų | 79.9 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.8 | -38 | 176.2 | -80.9 | -46.2 | 0 | 0 | 0 | 111.9 | Y46 D50 R56 N57 | Y46-N53 HydrophobicContact CD1-CB 4.07Å; Y46-N53 HydrophobicContact CD2-CB 3.9Å; Y46-N53 HydrophobicContact CE1-CB 3.96Å; Y46-N53 HydrophobicContact CE2-CB 3.76Å; Y46-N53 HydrophobicContact CG-CB 4.06Å; D50-N53 HydrophobicContact CB-CB 4.38Å; D50-N53 WeakPolarHBondContact O-CA 3.47Å; D50-N53 PolarHBondContact O-N 2.84Å; D50-N53 PolarHBondContact OD1-ND2 3.19Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 3.39Å; N53-N57 PolarHBondContact O-ND2 3.13Å |
| 54 | I | 87 | Confident | 86.1 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 174 | -63.4 | 170.6 | 0 | 0 | 0 | 110.8 | F39 L43 Y46 D50 W51 F58 V59 V67 | F39-I54 HydrophobicContact CD2-CG2 4.12Å; L43-I54 HydrophobicContact CD2-CD1 4.35Å; Y46-I54 HydrophobicContact CD2-CG1 3.93Å; D50-I54 WeakPolarHBondContact O-CG1 3.39Å; D50-I54 PolarHBondContact O-N 3.5Å; W51-I54 HydrophobicContact CE3-CD1 3.77Å; W51-I54 HydrophobicContact CZ3-CD1 3.83Å; I54-F58 WeakPolarHBondContact O-CA 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.36Å; I54-V59 HydrophobicContact CG2-CG2 4.47Å; I54-V59 PolarHBondContact O-N 3Å; I54-V67 HydrophobicContact CB-CG1 4.23Å; I54-V67 HydrophobicContact CG2-CG1 3.84Å |
| 55 | S | 88.5 | Confident | 86.1 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -51.2 | 172.7 | 168.3 | 0 | 0 | 0 | 0 | 112 | W51 V59 Q60 R62 P64 | W51-S55 WeakPolarHBondContact O-CB 3.3Å; W51-S55 PolarHBondContact O-N 2.87Å; S55-V59 CarbonylContact O-C 2.98Å; S55-V59 PolarHBondContact O-N 3.01Å; S55-V59 VanDerWaalsContact O-O 3.09Å; S55-Q60 VanDerWaalsContact O-CA 3.31Å; S55-Q60 WeakPolarHBondContact O-CA 3.37Å; S55-Q60 PolarHBondContact O-N 2.9Å; S55-Q60 VanDerWaalsContact O-N 3.08Å; S55-R62 WeakPolarHBondContact CB-O 3.42Å; S55-R62 PolarHBondContact OG-O 3.21Å; S55-P64 WeakPolarHBondContact OG-CD 3.4Å |
| 56 | R | 87.6 | Confident | 86.1 | Confident | 175 Ų | 175 | 74 Ų | 74 | 66% | 0.66 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.4 | -35.8 | -174.5 | -75.1 | 174.6 | 169.6 | -174.9 | -6.9 | 115.4 | R52 N53 Q60 | R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 VanDerWaalsContact O-CG 3.3Å; R52-R56 WeakPolarHBondContact O-CG 3.3Å; R52-R56 PolarHBondContact O-N 3.17Å; R52-R56 VanDerWaalsContact O-N 3.14Å; N53-R56 PolarHBondContact O-N 2.92Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.47Å |
| 57 | N | 88.5 | Confident | 86.2 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -100.8 | -29.1 | -172.8 | -61.2 | -90.9 | 0 | 0 | 0 | 113.1 | Y46 N53 | Y46-N57 HydrophobicContact CE2-CB 4.26Å; Y46-N57 VanDerWaalsContact OH-CG 3.22Å; Y46-N57 PolarHBondContact OH-ND2 2.9Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 3.39Å; N53-N57 PolarHBondContact O-ND2 3.13Å |
| 58 | F | 87.3 | Confident | 86.5 | Confident | 39 Ų | 39 | 71.1 Ų | 71.1 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113 | -43 | -174.9 | -70.1 | -74.7 | 0 | 0 | 0 | 113.2 | L38 L41 G42 K45 Y46 I54 | L38-F58 HydrophobicContact CB-CB 4.19Å; L38-F58 WeakPolarHBondContact CB-O 3.02Å; L38-F58 WeakPolarHBondContact CD1-O 3.28Å; L38-F58 HydrophobicContact CD2-CD1 4.17Å; L38-F58 WeakPolarHBondContact O-CB 3.3Å; L41-F58 HydrophobicContact CB-CD1 4.33Å; L41-F58 HydrophobicContact CB-CE1 4.16Å; L41-F58 HydrophobicContact CD2-CD1 4.23Å; L41-F58 HydrophobicContact CD2-CE1 3.63Å; L41-F58 HydrophobicContact CG-CD1 4.24Å; L41-F58 HydrophobicContact CG-CE1 3.6Å; L41-F58 HydrophobicContact CG-CZ 4.14Å; G42-F58 VanDerWaalsContact CA-CD2 3.41Å; K45-F58 HydrophobicContact CB-CE2 4.07Å; K45-F58 HydrophobicContact CB-CZ 4.04Å; K45-F58 HydrophobicContact CG-CZ 3.98Å; Y46-F58 HydrophobicContact CD2-CD2 4.29Å; Y46-F58 AromaticContact CD2-CE2 3.96Å; Y46-F58 HydrophobicContact CD2-CE2 3.96Å; Y46-F58 AromaticContact CE2-CD2 3.9Å; Y46-F58 HydrophobicContact CE2-CD2 3.9Å; Y46-F58 AromaticContact CE2-CE2 3.52Å; Y46-F58 HydrophobicContact CE2-CE2 3.52Å; I54-F58 WeakPolarHBondContact O-CA 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.36Å |
| 59 | V | 84 | Confident | 86.9 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | trans | -126.6 | 62.1 | -171.5 | -156.9 | 0 | 0 | 0 | 0 | 111.2 | W31 E35 L38 F39 I54 S55 T61 R62 | W31-V59 HydrophobicContact CH2-CG1 4.49Å; W31-V59 HydrophobicContact CZ3-CG1 4.03Å; E35-V59 HydrophobicContact CB-CG1 4.02Å; E35-V59 HydrophobicContact CG-CG1 4.11Å; L38-V59 HydrophobicContact CB-CG2 4.17Å; F39-V59 HydrophobicContact CB-CG2 4.13Å; I54-V59 HydrophobicContact CG2-CG2 4.47Å; I54-V59 PolarHBondContact O-N 3Å; S55-V59 CarbonylContact O-C 2.98Å; S55-V59 PolarHBondContact O-N 3.01Å; S55-V59 VanDerWaalsContact O-O 3.09Å; V59-T61 PolarHBondContact O-N 2.86Å; V59-T61 VanDerWaalsContact O-N 3.15Å; V59-R62 HydrophobicContact CB-CB 4.37Å; V59-R62 HydrophobicContact CG1-CB 3.77Å; V59-R62 HydrophobicContact CG1-CG 3.44Å; V59-R62 VanDerWaalsContact CG1-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.39Å | ||
| 60 | Q | 83.1 | Confident | 87.3 | Confident | 155 Ų | 155 | 63.7 Ų | 63.7 | 72% | 0.724 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.9 | -175.7 | -68.7 | -179.7 | 76.6 | 0 | 0 | 113.1 | S55 R56 R62 | S55-Q60 VanDerWaalsContact O-CA 3.31Å; S55-Q60 WeakPolarHBondContact O-CA 3.37Å; S55-Q60 PolarHBondContact O-N 2.9Å; S55-Q60 VanDerWaalsContact O-N 3.08Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q60-R62 PolarHBondContact O-N 2.72Å |
| 61 | T | 81.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 60.5 Ų | 60.5 | 44% | 0.436 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -5.4 | 172.1 | 48.2 | 0 | 0 | 0 | 0 | 114.2 | Q23 E35 V59 | Q23-T61 PolarHBondContact NE2-O 2.93Å; E35-T61 WeakPolarHBondContact OE1-CB 3.32Å; E35-T61 PolarHBondContact OE1-OG1 3.15Å; V59-T61 PolarHBondContact O-N 2.86Å; V59-T61 VanDerWaalsContact O-N 3.15Å |
| 62 | R | 81.3 | Confident | 87.3 | Confident | 16 Ų | 16 | 63.6 Ų | 63.6 | 6% | 0.06 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -130.1 | 131.4 | -179 | -57.5 | -65.2 | 168.5 | 164.7 | 3.2 | 111.3 | Q29 P30 W31 E35 S55 V59 Q60 Q66 V67 | Q29-R62 PolarHBondContact O-NH1 3.44Å; Q29-R62 PolarHBondContact O-NH2 2.74Å; P30-R62 PolarHBondContact O-NH2 2.6Å; W31-R62 HydrophobicContact CH2-CB 4.05Å; W31-R62 HydrophobicContact CH2-CG 3.66Å; W31-R62 HydrophobicContact CZ2-CB 4.46Å; W31-R62 HydrophobicContact CZ2-CG 4.01Å; W31-R62 HydrophobicContact CZ3-CG 3.95Å; E35-R62 IonicContact OE1-CZ 3.62Å; E35-R62 IonicContact OE1-NE 3.65Å; E35-R62 PolarHBondContact OE1-NE 3.23Å; E35-R62 IonicContact OE1-NH2 2.73Å; E35-R62 PolarHBondContact OE1-NH2 2.91Å; E35-R62 IonicContact OE2-CZ 3.4Å; E35-R62 IonicContact OE2-NE 2.69Å; E35-R62 IonicContact OE2-NH2 3.21Å; E35-R62 PolarHBondContact OE2-NH2 2.95Å; S55-R62 WeakPolarHBondContact CB-O 3.42Å; S55-R62 PolarHBondContact OG-O 3.21Å; V59-R62 HydrophobicContact CB-CB 4.37Å; V59-R62 HydrophobicContact CG1-CB 3.77Å; V59-R62 HydrophobicContact CG1-CG 3.44Å; V59-R62 VanDerWaalsContact CG1-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.39Å; Q60-R62 PolarHBondContact O-N 2.72Å; R62-Q66 HydrophobicContact CB-CB 4.25Å; R62-V67 HydrophobicContact CB-CG2 4.04Å |
| 63 | T | 86.1 | Confident | 87.2 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 25% | 0.245 | 32% | 0.315 | C | S | . | . | trans | -61.8 | 153.3 | 171 | 61.4 | 0 | 0 | 0 | 0 | 110.8 | T65 Q66 V67 | T63-T65 PolarHBondContact O-N 2.88Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T63-Q66 WeakPolarHBondContact O-CB 3.5Å; T63-Q66 PolarHBondContact O-N 2.9Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.33Å; T63-Q66 PolarHBondContact OG1-N 3.05Å; T63-Q66 PolarHBondContact OG1-OE1 2.8Å; T63-V67 PolarHBondContact O-N 3.02Å | ||
| 64 | P | 86.4 | Confident | 87.1 | Confident | 48 Ų | 48 | 61.6 Ų | 61.6 | 31% | 0.312 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.7 | -30.5 | 176.1 | 23 | -33.8 | 0 | 0 | 0 | 112.5 | R52 S55 V67 V68 | R52-P64 HydrophobicContact CG-CB 4.25Å; S55-P64 WeakPolarHBondContact OG-CD 3.4Å; P64-V67 PolarHBondContact O-N 3.05Å; P64-V68 VanDerWaalsContact O-CG2 3.31Å; P64-V68 WeakPolarHBondContact O-CG2 3.16Å; P64-V68 PolarHBondContact O-N 3.49Å |
| 65 | T | 88.2 | Confident | 87 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -67.1 | -39.8 | 175 | -42.9 | 0 | 0 | 0 | 0 | 112.6 | T63 V67 V68 S69 | T63-T65 PolarHBondContact O-N 2.88Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T65-V67 VanDerWaalsContact C-N 3.34Å; T65-V68 PolarHBondContact O-N 3.01Å; T65-S69 PolarHBondContact O-N 3.43Å |
| 66 | Q | 89.6 | Confident | 86.6 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 171.4 | -74.4 | 162.7 | -47.2 | 0 | 0 | 111.1 | W31 R62 T63 S69 H70 | W31-Q66 HydrophobicContact CZ2-CB 4.38Å; R62-Q66 HydrophobicContact CB-CB 4.25Å; T63-Q66 WeakPolarHBondContact O-CB 3.5Å; T63-Q66 PolarHBondContact O-N 2.9Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.33Å; T63-Q66 PolarHBondContact OG1-N 3.05Å; T63-Q66 PolarHBondContact OG1-OE1 2.8Å; Q66-S69 PolarHBondContact O-N 2.73Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 2.85Å |
| 67 | V | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 175 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | W31 F39 W51 I54 R62 T63 P64 T65 H70 A71 | W31-V67 HydrophobicContact CH2-CG2 4.27Å; F39-V67 HydrophobicContact CD2-CG1 3.94Å; F39-V67 HydrophobicContact CE2-CG1 3.93Å; W51-V67 HydrophobicContact CB-CG1 4.27Å; W51-V67 HydrophobicContact CE3-CG1 3.8Å; I54-V67 HydrophobicContact CB-CG1 4.23Å; I54-V67 HydrophobicContact CG2-CG1 3.84Å; R62-V67 HydrophobicContact CB-CG2 4.04Å; T63-V67 PolarHBondContact O-N 3.02Å; P64-V67 PolarHBondContact O-N 3.05Å; T65-V67 VanDerWaalsContact C-N 3.34Å; V67-H70 PolarHBondContact O-N 2.76Å; V67-A71 VanDerWaalsContact O-CB 3.23Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 3.03Å |
| 68 | V | 90.1 | Very high | 85.3 | Confident | 59 Ų | 59 | 73 Ų | 73 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.4 | -52.2 | 172.3 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | W51 P64 T65 H70 A71 Q72 | W51-V68 HydrophobicContact CB-CG2 3.8Å; W51-V68 HydrophobicContact CD2-CG2 4.28Å; W51-V68 HydrophobicContact CG-CG2 3.49Å; W51-V68 VanDerWaalsContact CG-CG2 3.49Å; P64-V68 VanDerWaalsContact O-CG2 3.31Å; P64-V68 WeakPolarHBondContact O-CG2 3.16Å; P64-V68 PolarHBondContact O-N 3.49Å; T65-V68 PolarHBondContact O-N 3.01Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; V68-A71 PolarHBondContact O-N 2.97Å; V68-Q72 WeakPolarHBondContact O-CB 3.22Å; V68-Q72 PolarHBondContact O-N 3.14Å |
| 69 | S | 90.2 | Very high | 84.1 | Confident | 70 Ų | 70 | 77.9 Ų | 77.9 | 49% | 0.49 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -38.4 | -177.9 | -178.1 | 0 | 0 | 0 | 0 | 112.3 | T65 Q66 K73 | T65-S69 PolarHBondContact O-N 3.43Å; Q66-S69 PolarHBondContact O-N 2.73Å; S69-K73 PolarHBondContact O-N 3.29Å; S69-K73 VanDerWaalsContact O-N 3.13Å |
| 70 | H | 89.1 | Confident | 82.8 | Confident | 27 Ų | 27 | 82 Ų | 82 | 13% | 0.125 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 174.3 | -168.9 | 62 | 0 | 0 | 0 | 112.4 | W31 H36 F39 Q66 V67 V68 K73 Y74 | W31-H70 AromaticContact CD1-ND1 3.83Å; W31-H70 HydrophobicContact CD2-CB 4.41Å; W31-H70 AromaticContact CD2-CD2 3.87Å; W31-H70 AromaticContact CD2-CE1 3.86Å; W31-H70 AromaticContact CD2-CG 3.8Å; W31-H70 AromaticContact CD2-ND1 3.83Å; W31-H70 AromaticContact CD2-NE2 3.9Å; W31-H70 AromaticContact CE2-CD2 3.94Å; W31-H70 AromaticContact CE2-CG 3.49Å; W31-H70 VanDerWaalsContact CE2-CG 3.49Å; W31-H70 AromaticContact CE2-ND1 3.72Å; W31-H70 AromaticContact CE3-CD2 3.75Å; W31-H70 AromaticContact CE3-NE2 3.83Å; W31-H70 AromaticContact CG-CE1 3.88Å; W31-H70 AromaticContact CG-ND1 3.95Å; W31-H70 HydrophobicContact CH2-CB 3.82Å; W31-H70 AromaticContact CH2-CD2 3.84Å; W31-H70 AromaticContact CH2-CG 3.94Å; W31-H70 HydrophobicContact CZ2-CB 3.29Å; W31-H70 AromaticContact CZ2-CD2 3.97Å; W31-H70 AromaticContact CZ2-CG 3.6Å; W31-H70 AromaticContact CZ3-CD2 3.72Å; W31-H70 AromaticContact NE1-CG 3.87Å; W31-H70 AromaticContact NE1-ND1 3.68Å; H36-H70 AromaticContact ND1-NE2 3.62Å; F39-H70 AromaticContact CD1-CD2 3.98Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 2.85Å; V67-H70 PolarHBondContact O-N 2.76Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; H70-K73 PolarHBondContact O-N 3.36Å; H70-Y74 VanDerWaalsContact O-CB 3.23Å; H70-Y74 WeakPolarHBondContact O-CB 3.4Å; H70-Y74 PolarHBondContact O-N 2.86Å |
| 71 | A | 89.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.008 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F39 W51 V67 V68 K73 Y74 F75 | F39-A71 HydrophobicContact CE2-CB 3.82Å; F39-A71 HydrophobicContact CZ-CB 3.62Å; W51-A71 HydrophobicContact CE3-CB 4.09Å; W51-A71 HydrophobicContact CH2-CB 3.52Å; W51-A71 HydrophobicContact CZ2-CB 4.06Å; W51-A71 HydrophobicContact CZ3-CB 3.53Å; V67-A71 VanDerWaalsContact O-CB 3.23Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 3.03Å; V68-A71 PolarHBondContact O-N 2.97Å; A71-K73 PolarHBondContact O-N 3.25Å; A71-Y74 PolarHBondContact O-N 3.15Å; A71-F75 HydrophobicContact CB-CD2 4.37Å; A71-F75 HydrophobicContact CB-CE2 3.98Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 WeakPolarHBondContact O-CD2 3.46Å; A71-F75 VanDerWaalsContact O-CG 3.3Å; A71-F75 WeakPolarHBondContact O-CG 3.47Å; A71-F75 PolarHBondContact O-N 2.67Å |
| 72 | Q | 88.4 | Confident | 80.2 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 51% | 0.514 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.5 | -51 | 174.6 | -177.2 | -179.7 | 1.5 | 0 | 0 | 111.1 | V68 Y74 F75 M76 | V68-Q72 WeakPolarHBondContact O-CB 3.22Å; V68-Q72 PolarHBondContact O-N 3.14Å; Q72-Y74 PolarHBondContact O-N 3.08Å; Q72-F75 PolarHBondContact O-N 2.86Å; Q72-M76 HydrophobicContact CG-CE 3.92Å; Q72-M76 HydrophobicContact CG-SD 4.22Å; Q72-M76 VanDerWaalsContact O-CG 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.3Å; Q72-M76 PolarHBondContact O-N 2.86Å |
| 73 | K | 87.3 | Confident | 78.9 | Confident | 145 Ų | 145 | 86.1 Ų | 86.1 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.7 | -40.9 | 176.2 | -176 | 178.3 | -65.3 | -172.7 | 0 | 112.7 | S69 H70 A71 R77 | S69-K73 PolarHBondContact O-N 3.29Å; S69-K73 VanDerWaalsContact O-N 3.13Å; H70-K73 PolarHBondContact O-N 3.36Å; A71-K73 PolarHBondContact O-N 3.25Å; K73-R77 PolarHBondContact O-N 3.02Å; K73-R77 VanDerWaalsContact O-N 3.13Å |
| 74 | Y | 86.9 | Confident | 77.3 | Confident | 54 Ų | 54 | 91 Ų | 91 | 21% | 0.212 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 177.8 | 178.8 | -95 | 0 | 0 | 0 | 111.3 | H36 F39 L40 L43 H70 A71 Q72 R77 H78 | H36-Y74 AromaticContact CE1-CD2 3.57Å; H36-Y74 AromaticContact CE1-CE2 3.68Å; H36-Y74 AromaticContact NE2-CE2 3.93Å; F39-Y74 HydrophobicContact CE1-CD1 4.18Å; F39-Y74 HydrophobicContact CE1-CG 4.05Å; L40-Y74 HydrophobicContact CD2-CD2 4.47Å; L40-Y74 HydrophobicContact CD2-CE1 3.98Å; L40-Y74 HydrophobicContact CD2-CE2 3.77Å; L43-Y74 HydrophobicContact CD1-CD1 4.29Å; L43-Y74 HydrophobicContact CD1-CE1 4.31Å; H70-Y74 VanDerWaalsContact O-CB 3.23Å; H70-Y74 WeakPolarHBondContact O-CB 3.4Å; H70-Y74 PolarHBondContact O-N 2.86Å; A71-Y74 PolarHBondContact O-N 3.15Å; Q72-Y74 PolarHBondContact O-N 3.08Å; Y74-R77 PolarHBondContact O-N 3.15Å; Y74-H78 HydrophobicContact CD1-CB 4.39Å; Y74-H78 HydrophobicContact CE1-CB 4Å; Y74-H78 WeakPolarHBondContact O-CB 3.33Å; Y74-H78 PolarHBondContact O-N 3.18Å |
| 75 | F | 84.2 | Confident | 75.9 | Confident | 57 Ų | 57 | 98.6 Ų | 98.6 | 25% | 0.25 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -64.9 | -41 | 177.3 | -65.8 | -48 | 0 | 0 | 0 | 112.1 | L43 R48 W51 A71 Q72 R77 H78 N79 | L43-F75 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CZ 4.32Å; L43-F75 HydrophobicContact CD2-CE1 4.5Å; L43-F75 HydrophobicContact CD2-CZ 3.82Å; R48-F75 HydrophobicContact CB-CZ 4.24Å; R48-F75 HydrophobicContact CG-CE1 4.38Å; R48-F75 HydrophobicContact CG-CZ 3.88Å; W51-F75 AromaticContact CH2-CE2 3.72Å; W51-F75 HydrophobicContact CH2-CE2 3.72Å; W51-F75 AromaticContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CZ2-CE2 4.19Å; A71-F75 HydrophobicContact CB-CD2 4.37Å; A71-F75 HydrophobicContact CB-CE2 3.98Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 WeakPolarHBondContact O-CD2 3.46Å; A71-F75 VanDerWaalsContact O-CG 3.3Å; A71-F75 WeakPolarHBondContact O-CG 3.47Å; A71-F75 PolarHBondContact O-N 2.67Å; Q72-F75 PolarHBondContact O-N 2.86Å; F75-R77 VanDerWaalsContact C-N 3.35Å; F75-R77 PolarHBondContact O-N 3.4Å; F75-H78 PolarHBondContact O-N 3.31Å; F75-N79 WeakPolarHBondContact O-CB 3.31Å; F75-N79 PolarHBondContact O-N 3.31Å |
| 76 | M | 79.6 | Confident | 74.3 | Confident | 121 Ų | 121 | 104.2 Ų | 104.2 | 60% | 0.596 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -53.6 | -51.4 | 173.1 | -74.8 | 167.1 | 167.7 | 0 | 0 | 111.1 | Q72 S80 | Q72-M76 HydrophobicContact CG-CE 3.92Å; Q72-M76 HydrophobicContact CG-SD 4.22Å; Q72-M76 VanDerWaalsContact O-CG 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.3Å; Q72-M76 PolarHBondContact O-N 2.86Å; M76-S80 PolarHBondContact O-OG 3.24Å |
| 77 | R | 78.2 | Confident | 72.9 | Confident | 219 Ų | 219 | 111.8 Ų | 111.8 | 83% | 0.826 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -70.3 | -37.2 | 179.6 | -170.1 | 179.4 | -177.4 | -140.2 | 0.4 | 113.6 | K73 Y74 F75 | K73-R77 PolarHBondContact O-N 3.02Å; K73-R77 VanDerWaalsContact O-N 3.13Å; Y74-R77 PolarHBondContact O-N 3.15Å; F75-R77 VanDerWaalsContact C-N 3.35Å; F75-R77 PolarHBondContact O-N 3.4Å |
| 78 | H | 71.5 | Confident | 71 | Confident | 119 Ų | 119 | 117.8 Ų | 117.8 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.3 | -36.3 | -175.3 | -173.2 | 56.8 | 0 | 0 | 0 | 112.1 | Y74 F75 S80 G81 | Y74-H78 HydrophobicContact CD1-CB 4.39Å; Y74-H78 HydrophobicContact CE1-CB 4Å; Y74-H78 WeakPolarHBondContact O-CB 3.33Å; Y74-H78 PolarHBondContact O-N 3.18Å; F75-H78 PolarHBondContact O-N 3.31Å; H78-S80 VanDerWaalsContact C-N 3.26Å; H78-S80 PolarHBondContact O-N 2.69Å; H78-G81 PolarHBondContact O-N 2.76Å; H78-G81 VanDerWaalsContact O-N 3.09Å |
| 79 | N | 62.5 | Low | 69.6 | Low | 142 Ų | 142 | 117.9 Ų | 117.9 | 76% | 0.759 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.3 | -18.3 | 179.2 | -154 | 93.6 | 0 | 0 | 0 | 112.7 | F75 G81 | F75-N79 WeakPolarHBondContact O-CB 3.31Å; F75-N79 PolarHBondContact O-N 3.31Å; N79-G81 VanDerWaalsContact C-N 3.26Å; N79-G81 PolarHBondContact O-N 2.75Å |
| 80 | S | 56.3 | Low | 68.1 | Low | 87 Ų | 87 | 121.8 Ų | 121.8 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -11.2 | 167.5 | -56.4 | 0 | 0 | 0 | 0 | 114 | M76 H78 G82 | M76-S80 PolarHBondContact O-OG 3.24Å; H78-S80 VanDerWaalsContact C-N 3.26Å; H78-S80 PolarHBondContact O-N 2.69Å; S80-G82 PolarHBondContact O-N 3.24Å |
| 81 | G | 53.8 | Low | 66.6 | Low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -73.9 | 27.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | H78 N79 | H78-G81 PolarHBondContact O-N 2.76Å; H78-G81 VanDerWaalsContact O-N 3.09Å; N79-G81 VanDerWaalsContact C-N 3.26Å; N79-G81 PolarHBondContact O-N 2.75Å |
| 82 | G | 55.2 | Low | 64.9 | Low | 61 Ų | 61 | 133 Ų | 133 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -103.5 | -68.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116 | S80 | S80-G82 PolarHBondContact O-N 3.24Š|
| 83 | K | 54.1 | Low | 63.2 | Low | 193 Ų | 193 | 135.5 Ų | 135.5 | 84% | 0.839 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -141.4 | -14.2 | -159.7 | -67.8 | -171.3 | 175.8 | -177.7 | 0 | 117 | K85 | K83-K85 PolarHBondContact O-N 2.87Š|
| 84 | D | 52.9 | Low | 61.3 | Low | 144 Ų | 144 | 134.7 Ų | 134.7 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -85 | 79.4 | -160.9 | -60.7 | -79.9 | 0 | 0 | 0 | 114.3 | R86 | D84-R86 PolarHBondContact O-N 3.49Å; D84-R86 VanDerWaalsContact O-N 3.09Å | ||
| 85 | K | 56.5 | Low | 59.6 | Low | 207 Ų | 207 | 137.7 Ų | 137.7 | 90% | 0.9 | 71% | 0.712 | S | S | * | * | trans | -78.5 | 22.4 | -177.3 | -165.6 | 153 | 178.4 | 171.8 | 0 | 114.4 | K83 | K83-K85 PolarHBondContact O-N 2.87Š| ||
| 86 | R | 55.3 | Low | 57.7 | Low | 222 Ų | 222 | 141.1 Ų | 141.1 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -135.6 | 118.3 | -176.1 | -57.1 | -169.2 | 88.3 | 178.4 | 5.3 | 112.9 | D84 | D84-R86 PolarHBondContact O-N 3.49Å; D84-R86 VanDerWaalsContact O-N 3.09Å |
| 87 | R | 59.6 | Low | 56.3 | Low | 236 Ų | 236 | 144 Ų | 144 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 85.9 | 165 | -153 | 175.5 | -151.9 | 159.1 | 5.7 | 116.5 | S89 | R87-S89 PolarHBondContact O-N 2.84Š| ||
| 88 | S | 49.8 | Very low | 54.9 | Low | 125 Ų | 125 | 141.1 Ų | 141.1 | 87% | 0.874 | 75% | 0.746 | S | S | * | * | trans | -57.7 | 124.6 | 158.3 | 51.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 89 | S | 60.3 | Low | 53.4 | Low | 61 Ų | 61 | 140.2 Ų | 140.2 | 43% | 0.427 | 75% | 0.753 | S | S | . | * | trans | -118.5 | 156.6 | 174.2 | 147.6 | 0 | 0 | 0 | 0 | 109.8 | R87 H91 D92 | R87-S89 PolarHBondContact O-N 2.84Å; S89-H91 PolarHBondContact OG-N 2.73Å; S89-D92 WeakPolarHBondContact CB-OD1 3.03Å; S89-D92 PolarHBondContact OG-OD1 3.1Å | ||
| 90 | I | 59.7 | Low | 52.7 | Low | 152 Ų | 152 | 140.8 Ų | 140.8 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -93.5 | -0.5 | -176.9 | -162.5 | 168.2 | 0 | 0 | 0 | 112.5 | ||
| 91 | H | 57.3 | Low | 52.5 | Low | 153 Ų | 153 | 142.6 Ų | 142.6 | 71% | 0.708 | 76% | 0.759 | S | S | * | * | trans | -126.1 | 27.8 | -168.9 | -59.8 | 123.8 | 0 | 0 | 0 | 114 | S89 I93 | S89-H91 PolarHBondContact OG-N 2.73Å; H91-I93 PolarHBondContact O-N 3.45Å | ||
| 92 | D | 52.8 | Low | 52.2 | Low | 110 Ų | 110 | 147.1 Ų | 147.1 | 59% | 0.588 | 76% | 0.76 | S | S | * | * | trans | -78.7 | 64.6 | -165.1 | -61.6 | -15.9 | 0 | 0 | 0 | 113.7 | S89 | S89-D92 WeakPolarHBondContact CB-OD1 3.03Å; S89-D92 PolarHBondContact OG-OD1 3.1Å | ||
| 93 | I | 52.9 | Low | 52.1 | Low | 163 Ų | 163 | 151 Ų | 151 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | trans | -114.4 | 68.8 | 169.8 | -50.5 | 177.7 | 0 | 0 | 0 | 107.8 | H91 | H91-I93 PolarHBondContact O-N 3.45Š| ||
| 94 | T | 49 | Very low | 51.6 | Low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -90.6 | 111.9 | -178.3 | -53.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 95 | T | 50.3 | Low | 51.7 | Low | 118 Ų | 118 | 147.1 Ų | 147.1 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | trans | -93.4 | 133.2 | 162.7 | -166.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 96 | V | 44.7 | Very low | 51.6 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 34.8 | 92.6 | 165.3 | -65 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 97 | K | 49.9 | Very low | 51.3 | Low | 183 Ų | 183 | 136.7 Ų | 136.7 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | trans | -157.1 | 101.3 | 140.8 | -148 | 154.6 | -175.5 | 168 | 0 | 108.7 | ||||
| 98 | L | 49.7 | Very low | 50.7 | Low | 157 Ų | 157 | 131.2 Ų | 131.2 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | 67.4 | 128.7 | 85.8 | -69.6 | 164.5 | 0 | 0 | 0 | 113.4 | |||||
| 99 | S | 39.1 | Very low | 51 | Low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 177.6 | 170 | -37.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 100 | D | 48.3 | Very low | 50.4 | Low | 153 Ų | 153 | 133.2 Ų | 133.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -147.8 | 167 | 13.3 | -65 | 97.1 | 0 | 0 | 0 | 107.9 | ||||
| 101 | D | 51.2 | Low | 49.9 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | cis | -168.8 | 165.9 | -28.2 | -178.7 | -147.2 | 0 | 0 | 0 | 107.4 | ||||
| 102 | Q | 48.3 | Very low | 49.1 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | 63.6 | 121.1 | 167.8 | -37.3 | -165.6 | 4.7 | 0 | 0 | 118.3 | ||||
| 103 | D | 51.9 | Low | 48.7 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | cis | -145 | -123.7 | -13.5 | -164.7 | 5.9 | 0 | 0 | 0 | 109.1 | P105 | D103-P105 VanDerWaalsContact OD2-CD 3.22Å; D103-P105 WeakPolarHBondContact OD2-CD 3.22Å | ||
| 104 | Q | 44.2 | Very low | 48.3 | Very low | 171 Ų | 171 | 132.8 Ų | 132.8 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | cis | -141.7 | 141.1 | -4.7 | -167.9 | 175.9 | 58.2 | 0 | 0 | 111.1 | ||||
| 105 | P | 54.8 | Low | 48.6 | Very low | 86 Ų | 86 | 134 Ų | 134 | 56% | 0.558 | 77% | 0.765 | S | S | * | * | trans | -108.7 | 179.4 | 178.7 | 42.1 | -37.1 | 0 | 0 | 0 | 113.1 | D103 | D103-P105 VanDerWaalsContact OD2-CD 3.22Å; D103-P105 WeakPolarHBondContact OD2-CD 3.22Å | ||
| 106 | P | 54.8 | Low | 48.5 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -132.8 | -164.3 | -22.7 | 26.7 | -2.8 | 0 | 0 | 0 | 113.2 | ||||
| 107 | S | 49.8 | Very low | 48.7 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 60.5 | 109.7 | 144.8 | 55.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 108 | S | 46.8 | Very low | 48.9 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 144.3 | 144 | -44.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 109 | P | 55.6 | Low | 49.3 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | -126.5 | 158.8 | 128.4 | 36.3 | -30.5 | 0 | 0 | 0 | 112.2 | |||||
| 110 | S | 48.1 | Very low | 50.1 | Low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -75.3 | 129 | 173.6 | -179.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | Q | 48.5 | Very low | 50.1 | Low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 76% | 0.757 | S | S | * | * | trans | 175.1 | 109.4 | 136.5 | -96.8 | 152.6 | 113.1 | 0 | 0 | 110.4 | ||||
| 112 | S | 40 | Very low | 50.3 | Low | 126 Ų | 126 | 137.3 Ų | 137.3 | 88% | 0.881 | 76% | 0.76 | S | S | * | * | trans | -90 | 99.6 | 170.9 | -58 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 113 | S | 44.6 | Very low | 50.6 | Low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -163.4 | 130.6 | 168.3 | -84.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 114 | L | 45.1 | Very low | 50.6 | Low | 153 Ų | 153 | 134.3 Ų | 134.3 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | trans | 72.5 | 131.9 | 152.6 | -61.9 | 165.8 | 0 | 0 | 0 | 119.7 | ||||
| 115 | I | 54.5 | Low | 51.2 | Low | 154 Ų | 154 | 132.2 Ų | 132.2 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 62.2 | 154.9 | 149.7 | 67.2 | 163.9 | 0 | 0 | 0 | 121.2 | ||||
| 116 | T | 48.7 | Very low | 51.4 | Low | 111 Ų | 111 | 134.3 Ų | 134.3 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | cis | -173.7 | 155.4 | -31.6 | -87.8 | 0 | 0 | 0 | 0 | 107 | ||||
| 117 | D | 49.4 | Very low | 51.4 | Low | 123 Ų | 123 | 132.7 Ų | 132.7 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | trans | 68.5 | 128.1 | 165 | -83.4 | -163.3 | 0 | 0 | 0 | 118.4 | ||||
| 118 | Q | 53.6 | Low | 52 | Low | 160 Ų | 160 | 133.1 Ų | 133.1 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | 94.4 | 76.5 | 59.2 | -78.8 | -168.6 | 73.1 | 0 | 0 | 113.8 | |||||
| 119 | F | 58.2 | Low | 52.9 | Low | 204 Ų | 204 | 132.1 Ų | 132.1 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | trans | -168.5 | 153.9 | 138.6 | 47 | -103 | 0 | 0 | 0 | 107.5 | ||||
| 120 | N | 55.8 | Low | 52.9 | Low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | cis | -139.5 | 159.8 | 24.6 | -172.1 | 76.6 | 0 | 0 | 0 | 112.8 | ||||
| 121 | E | 49.1 | Very low | 53.7 | Low | 157 Ų | 157 | 132.4 Ų | 132.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -80.5 | -172.4 | 178.2 | -157.5 | -171.6 | 89.3 | 0 | 0 | 112.8 | ||||
| 122 | L | 55.1 | Low | 54.4 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | 79.5 | 132.6 | 168.4 | -48.7 | 175.5 | 0 | 0 | 0 | 115.5 | ||||
| 123 | A | 54.8 | Low | 55.8 | Low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | cis | -149.9 | 140.4 | 6.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 124 | L | 50.6 | Low | 56.5 | Low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | trans | 45.2 | 126.3 | 151.2 | -74.7 | 81.7 | 0 | 0 | 0 | 121.7 | ||||
| 125 | T | 57.9 | Low | 57.1 | Low | 128 Ų | 128 | 133.8 Ų | 133.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 171.4 | 159.9 | 62.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 126 | P | 59 | Low | 57.2 | Low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | -150 | 164.8 | 90.2 | 39.9 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 127 | G | 54.6 | Low | 57.7 | Low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 134.2 | 110.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 128 | A | 60.9 | Low | 58.1 | Low | 108 Ų | 108 | 134.6 Ų | 134.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | 1.3 | 145.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 129 | A | 67.3 | Low | 58.4 | Low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | cis | -147.8 | 164.9 | 10.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 130 | D | 55.9 | Low | 58.4 | Low | 139 Ų | 139 | 128.3 Ų | 128.3 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -88.4 | 122.9 | -178.1 | -175.6 | -120.5 | 0 | 0 | 0 | 113.1 | ||||
| 131 | S | 63.8 | Low | 58.6 | Low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 81% | 0.812 | S | S | * | * | trans | 46.8 | -169.6 | 132.1 | -45.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 132 | P | 63.3 | Low | 59.4 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | -124.1 | 155.9 | -81.8 | 36.5 | -23.1 | 0 | 0 | 0 | 113.6 | |||||
| 133 | S | 69.9 | Low | 59.7 | Low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -90.8 | 123.9 | 169.2 | -148.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 134 | N | 58.7 | Low | 60.2 | Low | 217 Ų | 217 | 127.8 Ų | 127.8 | 100% | 1.16 | 84% | 0.84 | S | S | * | * | trans | -79.5 | 0 | 140.1 | -174.6 | 57.3 | 0 | 0 | 0 | 109.3 |
Retrieved 134 of 134 residues in 28.4 ms
(Link to these results)