| 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 | 40.4 | Very low | 53.2 | Low | 232 Ų | 232 | 148.3 Ų | 148.3 | 100% | 1.143 | 82% | 0.822 | S | S | * | * | 0 | 62.7 | 0 | -76.1 | 175.8 | 176.3 | 0 | 0 | 106.3 | |||||
| 2 | T | 40.6 | Very low | 54 | Low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.724 | 83% | 0.829 | S | S | * | * | 48.8 | 91.9 | 83.7 | 54.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 3 | D | 47.4 | Very low | 55 | Low | 138 Ų | 138 | 145.2 Ų | 145.2 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | 84.4 | 111.2 | 92.7 | -67.5 | -27.4 | 0 | 0 | 0 | 110.3 | |||||
| 4 | F | 53.4 | Low | 55.9 | Low | 186 Ų | 186 | 143.4 Ų | 143.4 | 82% | 0.816 | 82% | 0.815 | S | S | * | * | trans | 177.4 | 79.5 | 153.8 | -113.9 | -77.8 | 0 | 0 | 0 | 111.5 | ||||
| 5 | I | 56.1 | Low | 55.6 | Low | 178 Ų | 178 | 145.3 Ų | 145.3 | 91% | 0.913 | 82% | 0.822 | S | S | * | * | trans | -143.2 | 91.1 | 145.4 | -58.4 | -174.6 | 0 | 0 | 0 | 106.1 | ||||
| 6 | E | 55 | Low | 55 | Low | 165 Ų | 165 | 144.2 Ų | 144.2 | 77% | 0.771 | 82% | 0.819 | S | S | * | * | trans | -79.9 | 140.4 | -176.3 | -147.9 | 168.9 | -166.4 | 0 | 0 | 110.5 | ||||
| 7 | A | 54.7 | Low | 54.3 | Low | 81 Ų | 81 | 146.3 Ų | 146.3 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | trans | -70.7 | 133.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S9 | A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 2.73Å | ||
| 8 | V | 47.1 | Very low | 54 | Low | 159 Ų | 159 | 146.3 Ų | 146.3 | 96% | 0.964 | 82% | 0.821 | S | S | * | * | trans | -85.7 | 80.2 | 158.2 | -174 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 9 | S | 58.9 | Low | 53 | Low | 94 Ų | 94 | 141.3 Ų | 141.3 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -112 | 128.4 | 167.3 | 65.4 | 0 | 0 | 0 | 0 | 109 | A7 | A7-S9 VanDerWaalsContact C-N 3.31Å; A7-S9 PolarHBondContact O-N 2.73Å | ||
| 10 | N | 62.4 | Low | 52.5 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -45 | 140.8 | 178.7 | -79.1 | -17.9 | 0 | 0 | 0 | 112.3 | L12 | N10-L12 PolarHBondContact O-N 3.44Š| ||
| 11 | P | 68.7 | Low | 52 | Low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.7 | -173.6 | 26.3 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 12 | L | 63.7 | Low | 52.2 | Low | 173 Ų | 173 | 134.8 Ų | 134.8 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 132.9 | 173.1 | -161.7 | 71.2 | 0 | 0 | 0 | 109.6 | N10 | N10-L12 PolarHBondContact O-N 3.44Š|
| 13 | A | 66 | Low | 52.3 | Low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 14 | P | 68.3 | Low | 52.4 | Low | 120 Ų | 120 | 135.6 Ų | 135.6 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 137.7 | -171.7 | 26.9 | -33.7 | 0 | 0 | 0 | 114.4 | V16 | P14-V16 VanDerWaalsContact C-N 3.31Å; P14-V16 PolarHBondContact O-N 3.43Å |
| 15 | D | 50.7 | Low | 52.3 | Low | 171 Ų | 171 | 134.4 Ų | 134.4 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -73.1 | 67.2 | 174.8 | -92.3 | -23.8 | 0 | 0 | 0 | 112.5 | ||
| 16 | V | 46.1 | Very low | 52.3 | Low | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | trans | -149.5 | 71.4 | 167.9 | -155.9 | 0 | 0 | 0 | 0 | 112 | P14 | P14-V16 VanDerWaalsContact C-N 3.31Å; P14-V16 PolarHBondContact O-N 3.43Å | ||
| 17 | F | 43.4 | Very low | 52.8 | Low | 180 Ų | 180 | 135 Ų | 135 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | -144.1 | 91.6 | 154.9 | -150 | -95.9 | 0 | 0 | 0 | 110.9 | G19 | F17-G19 PolarHBondContact O-N 3Š| ||
| 18 | V | 48.5 | Very low | 53.9 | Low | 146 Ų | 146 | 135.3 Ų | 135.3 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | trans | -72.4 | 116.4 | 166.8 | 174 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 19 | G | 35.3 | Very low | 55.6 | Low | 51 Ų | 51 | 130.6 Ų | 130.6 | 53% | 0.526 | 74% | 0.736 | S | S | . | * | trans | 99.8 | 74.1 | 155 | 0 | 0 | 0 | 0 | 0 | 116.6 | F17 | F17-G19 PolarHBondContact O-N 3Š| ||
| 20 | H | 44 | Very low | 56.5 | Low | 165 Ų | 165 | 132.1 Ų | 132.1 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | -159.3 | 113.8 | 128.5 | -94.4 | -61.7 | 0 | 0 | 0 | 107.1 | |||||
| 21 | G | 42 | Very low | 57.6 | Low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | trans | -54.2 | 147.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F23 | G21-F23 PolarHBondContact O-N 3.13Š| ||
| 22 | D | 43.5 | Very low | 58.3 | Low | 151 Ų | 151 | 124.1 Ų | 124.1 | 81% | 0.807 | 69% | 0.692 | S | S | * | * | trans | -43.5 | 101.1 | 179.9 | -58.8 | -59.2 | 0 | 0 | 0 | 111.9 | T24 | D22-T24 HydrophobicContact CB-CG2 4.09Å; D22-T24 PolarHBondContact O-N 3.38Å | ||
| 23 | F | 43.3 | Very low | 59.2 | Low | 186 Ų | 186 | 120.9 Ų | 120.9 | 82% | 0.816 | 67% | 0.671 | S | S | * | * | trans | -70.5 | 69.7 | 154.2 | -68.9 | -76 | 0 | 0 | 0 | 107.4 | G21 N25 | G21-F23 PolarHBondContact O-N 3.13Å; F23-N25 PolarHBondContact O-N 3.48Å | ||
| 24 | T | 49.9 | Very low | 60.2 | Low | 87 Ų | 87 | 125.4 Ų | 125.4 | 53% | 0.534 | 67% | 0.67 | S | S | . | * | trans | -49.7 | 134.1 | 151.8 | 64.4 | 0 | 0 | 0 | 0 | 105.9 | D22 H26 | D22-T24 HydrophobicContact CB-CG2 4.09Å; D22-T24 PolarHBondContact O-N 3.38Å; T24-H26 PolarHBondContact O-N 3.33Å; T24-H26 PolarHBondContact OG1-ND1 2.86Å | ||
| 25 | N | 49.9 | Very low | 60.9 | Low | 162 Ų | 162 | 126.3 Ų | 126.3 | 87% | 0.866 | 66% | 0.661 | S | S | * | * | trans | -59.8 | 77.3 | 174.1 | -75.9 | -64.8 | 0 | 0 | 0 | 109.3 | F23 K27 | F23-N25 PolarHBondContact O-N 3.48Å; N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 3.4Å | ||
| 26 | H | 56.3 | Low | 62.4 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 71% | 0.713 | 65% | 0.646 | S | S | * | * | trans | -74.5 | 95.5 | 178 | -115.9 | 40.8 | 0 | 0 | 0 | 105.4 | T24 L28 | T24-H26 PolarHBondContact O-N 3.33Å; T24-H26 PolarHBondContact OG1-ND1 2.86Å; H26-L28 VanDerWaalsContact C-N 3.3Å; H26-L28 PolarHBondContact O-N 3Å | ||
| 27 | K | 65.9 | Low | 64.1 | Low | 201 Ų | 201 | 123.8 Ų | 123.8 | 87% | 0.874 | 64% | 0.643 | S | S | * | * | trans | -56.3 | 101 | 167.2 | -66 | -174.6 | 179.7 | -166.9 | 0 | 106.6 | N25 S29 | N25-K27 VanDerWaalsContact C-N 3.34Å; N25-K27 PolarHBondContact O-N 3.4Å; K27-S29 PolarHBondContact O-N 2.79Å; K27-S29 VanDerWaalsContact O-N 3.15Å | ||
| 28 | L | 77.5 | Confident | 65.9 | Low | 88 Ų | 88 | 122.8 Ų | 122.8 | 46% | 0.461 | 64% | 0.642 | S | S | . | * | trans | -49 | 120.9 | 179.8 | -71.6 | 161.7 | 0 | 0 | 0 | 109 | H26 D32 F33 | H26-L28 VanDerWaalsContact C-N 3.3Å; H26-L28 PolarHBondContact O-N 3Å; L28-D32 HydrophobicContact CB-CB 4.39Å; L28-D32 HydrophobicContact CD2-CB 3.72Å; L28-F33 HydrophobicContact CB-CD2 3.88Å; L28-F33 HydrophobicContact CB-CE2 3.54Å; L28-F33 HydrophobicContact CB-CZ 4.26Å; L28-F33 HydrophobicContact CD1-CE2 4.17Å; L28-F33 HydrophobicContact CD1-CZ 4.05Å | ||
| 29 | S | 82.5 | Confident | 67.1 | Low | 60 Ų | 60 | 120 Ų | 120 | 42% | 0.42 | 63% | 0.626 | S | S | . | * | trans | -63.6 | 154.6 | 171.7 | 163.5 | 0 | 0 | 0 | 0 | 109.5 | K27 S31 D32 F33 | K27-S29 PolarHBondContact O-N 2.79Å; K27-S29 VanDerWaalsContact O-N 3.15Å; S29-S31 WeakPolarHBondContact CB-OG 3.49Å; S29-S31 PolarHBondContact O-N 3.26Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 VanDerWaalsContact OG-N 3.16Å; S29-S31 PolarHBondContact OG-OG 3.36Å; S29-D32 PolarHBondContact O-N 3.42Å; S29-F33 PolarHBondContact O-N 3.42Å | ||
| 30 | N | 79.3 | Confident | 68.6 | Low | 125 Ų | 125 | 123.3 Ų | 123.3 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52.5 | -24.8 | 170 | -88.3 | -3.5 | 0 | 0 | 0 | 112.6 | R34 | N30-R34 VanDerWaalsContact O-CG 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å |
| 31 | S | 84.9 | Confident | 69.3 | Low | 59 Ų | 59 | 125 Ų | 125 | 41% | 0.413 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -69 | -34.9 | 172.7 | 59.9 | 0 | 0 | 0 | 0 | 113.6 | S29 R34 K35 | S29-S31 WeakPolarHBondContact CB-OG 3.49Å; S29-S31 PolarHBondContact O-N 3.26Å; S29-S31 PolarHBondContact OG-N 2.85Å; S29-S31 VanDerWaalsContact OG-N 3.16Å; S29-S31 PolarHBondContact OG-OG 3.36Å; S31-R34 PolarHBondContact O-N 2.77Å; S31-K35 WeakPolarHBondContact O-CG 3.4Å; S31-K35 PolarHBondContact O-N 3.22Å; S31-K35 VanDerWaalsContact O-N 3.1Å |
| 32 | D | 83.1 | Confident | 69.9 | Low | 54 Ų | 54 | 127.7 Ų | 127.7 | 29% | 0.289 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.7 | -33.7 | -180 | -70.9 | -25.8 | 0 | 0 | 0 | 111.7 | L28 S29 R34 K35 L36 | L28-D32 HydrophobicContact CB-CB 4.39Å; L28-D32 HydrophobicContact CD2-CB 3.72Å; S29-D32 PolarHBondContact O-N 3.42Å; D32-R34 VanDerWaalsContact C-N 3.31Å; D32-R34 PolarHBondContact O-N 2.86Å; D32-K35 PolarHBondContact O-N 3.33Å; D32-K35 IonicContact OD1-NZ 3.67Å; D32-L36 WeakPolarHBondContact O-CB 3.18Å; D32-L36 PolarHBondContact O-N 2.96Å |
| 33 | F | 82.2 | Confident | 70.2 | Confident | 105 Ų | 105 | 125.6 Ų | 125.6 | 46% | 0.461 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.6 | -39.3 | 168 | -84.6 | -76.5 | 0 | 0 | 0 | 112.2 | L28 S29 L36 L37 | L28-F33 HydrophobicContact CB-CD2 3.88Å; L28-F33 HydrophobicContact CB-CE2 3.54Å; L28-F33 HydrophobicContact CB-CZ 4.26Å; L28-F33 HydrophobicContact CD1-CE2 4.17Å; L28-F33 HydrophobicContact CD1-CZ 4.05Å; S29-F33 PolarHBondContact O-N 3.42Å; F33-L36 PolarHBondContact O-N 3.39Å; F33-L37 WeakPolarHBondContact O-CB 3.44Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 2.78Å |
| 34 | R | 87.3 | Confident | 70.4 | Confident | 179 Ų | 179 | 123.3 Ų | 123.3 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -63.6 | -40.3 | 173.7 | -73.8 | 173.9 | -174.4 | -179.5 | 1.6 | 111.9 | N30 S31 D32 L37 M38 | N30-R34 VanDerWaalsContact O-CG 3.31Å; N30-R34 WeakPolarHBondContact O-CG 3.49Å; N30-R34 PolarHBondContact O-N 2.84Å; S31-R34 PolarHBondContact O-N 2.77Å; D32-R34 VanDerWaalsContact C-N 3.31Å; D32-R34 PolarHBondContact O-N 2.86Å; R34-L37 PolarHBondContact O-N 3.3Å; R34-M38 WeakPolarHBondContact O-CB 3.24Å; R34-M38 WeakPolarHBondContact O-CG 3.28Å; R34-M38 PolarHBondContact O-N 2.86Å; R34-M38 VanDerWaalsContact O-N 3.11Å |
| 35 | K | 84.1 | Confident | 70.3 | Confident | 138 Ų | 138 | 127.3 Ų | 127.3 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.4 | -44 | 174.4 | -73.2 | 175.7 | -178 | 172.2 | 0 | 111.6 | S31 D32 L37 M38 T39 | S31-K35 WeakPolarHBondContact O-CG 3.4Å; S31-K35 PolarHBondContact O-N 3.22Å; S31-K35 VanDerWaalsContact O-N 3.1Å; D32-K35 PolarHBondContact O-N 3.33Å; D32-K35 IonicContact OD1-NZ 3.67Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.41Å; K35-M38 PolarHBondContact O-N 3.47Å; K35-M38 VanDerWaalsContact O-N 3.13Å; K35-T39 WeakPolarHBondContact O-CG2 3.14Å; K35-T39 PolarHBondContact O-N 3.01Å; K35-T39 PolarHBondContact O-OG1 2.94Å |
| 36 | L | 81.3 | Confident | 69.9 | Low | 111 Ų | 111 | 125.1 Ų | 125.1 | 58% | 0.581 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.2 | -31.4 | -178.9 | -159.3 | 145 | 0 | 0 | 0 | 112.7 | D32 F33 T39 | D32-L36 WeakPolarHBondContact O-CB 3.18Å; D32-L36 PolarHBondContact O-N 2.96Å; F33-L36 PolarHBondContact O-N 3.39Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-OG1 2.79Å |
| 37 | L | 81.2 | Confident | 69 | Low | 136 Ų | 136 | 122.8 Ų | 122.8 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.7 | -26.7 | 172.5 | -77 | 164.7 | 0 | 0 | 0 | 113.5 | F33 R34 K35 | F33-L37 WeakPolarHBondContact O-CB 3.44Å; F33-L37 WeakPolarHBondContact O-CG 3.06Å; F33-L37 PolarHBondContact O-N 2.78Å; R34-L37 PolarHBondContact O-N 3.3Å; K35-L37 VanDerWaalsContact C-N 3.32Å; K35-L37 PolarHBondContact O-N 3.41Å |
| 38 | M | 81.3 | Confident | 67.8 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 78% | 0.778 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -90.2 | -14.7 | 179 | -66 | -68.8 | 144.2 | 0 | 0 | 112.8 | R34 K35 P40 | R34-M38 WeakPolarHBondContact O-CB 3.24Å; R34-M38 WeakPolarHBondContact O-CG 3.28Å; R34-M38 PolarHBondContact O-N 2.86Å; R34-M38 VanDerWaalsContact O-N 3.11Å; K35-M38 PolarHBondContact O-N 3.47Å; K35-M38 VanDerWaalsContact O-N 3.13Å; M38-P40 WeakPolarHBondContact O-CD 3.27Å |
| 39 | T | 75 | Confident | 66 | Low | 88 Ų | 88 | 124.7 Ų | 124.7 | 54% | 0.54 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -78 | 116.9 | 171.9 | 44.4 | 0 | 0 | 0 | 0 | 110.2 | K35 L36 K41 | K35-T39 WeakPolarHBondContact O-CG2 3.14Å; K35-T39 PolarHBondContact O-N 3.01Å; K35-T39 PolarHBondContact O-OG1 2.94Å; L36-T39 WeakPolarHBondContact CA-OG1 3.25Å; L36-T39 PolarHBondContact O-OG1 2.79Å; T39-K41 PolarHBondContact O-N 3.39Å |
| 40 | P | 66.8 | Low | 64 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 79% | 0.786 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.9 | 178.2 | 25.5 | -31.8 | 0 | 0 | 0 | 110 | M38 | M38-P40 WeakPolarHBondContact O-CD 3.27Š|
| 41 | K | 58.9 | Low | 62.3 | Low | 201 Ų | 201 | 130.6 Ų | 130.6 | 87% | 0.874 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 129.8 | 177.5 | -111.1 | 177.3 | 169.5 | 175.2 | 0 | 110.2 | T39 S43 | T39-K41 PolarHBondContact O-N 3.39Å; K41-S43 PolarHBondContact O-N 3.38Å |
| 42 | P | 53.1 | Low | 60.2 | Low | 117 Ų | 117 | 133.3 Ų | 133.3 | 76% | 0.76 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.1 | 171.2 | 28.2 | -31.1 | 0 | 0 | 0 | 109.8 | V44 | P42-V44 PolarHBondContact O-N 3.38Š|
| 43 | S | 51.2 | Low | 58.3 | Low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 121.2 | 172.1 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | K41 Q45 | K41-S43 PolarHBondContact O-N 3.38Å; S43-Q45 PolarHBondContact O-N 2.81Å |
| 44 | V | 46.5 | Very low | 56.3 | Low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -79.8 | 109.8 | 171.8 | 177.1 | 0 | 0 | 0 | 0 | 107.8 | P42 | P42-V44 PolarHBondContact O-N 3.38Š| ||
| 45 | Q | 48.7 | Very low | 53.8 | Low | 171 Ų | 171 | 139 Ų | 139 | 80% | 0.799 | 75% | 0.749 | S | S | * | * | trans | -101.3 | 136.2 | 162.2 | -74.3 | -164.5 | -19.5 | 0 | 0 | 109.6 | S43 | S43-Q45 PolarHBondContact O-N 2.81Š| ||
| 46 | P | 41.7 | Very low | 51.6 | Low | 117 Ų | 117 | 135.7 Ų | 135.7 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -77.5 | 129.3 | 178.9 | 30.5 | -31.2 | 0 | 0 | 0 | 111.3 | ||||
| 47 | S | 36.1 | Very low | 49.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -18.9 | 122 | 161.4 | 54.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 48 | K | 41.9 | Very low | 47.6 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 91% | 0.913 | 77% | 0.767 | S | S | * | * | -141.9 | 137.8 | 129.8 | -71.5 | -162.8 | -179.9 | 174.4 | 0 | 110.7 | |||||
| 49 | T | 39.8 | Very low | 45.7 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -65.2 | 157.7 | -171 | 45 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 50 | D | 39.3 | Very low | 44.2 | Very low | 137 Ų | 137 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | trans | 108.7 | 111.5 | 142.4 | -64.1 | -25.4 | 0 | 0 | 0 | 120.6 | ||||
| 51 | E | 43.1 | Very low | 43.2 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | 77.7 | 105.7 | 135.9 | -59.7 | -164.3 | 164.4 | 0 | 0 | 122.8 | ||||
| 52 | V | 41.9 | Very low | 42.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | 24.4 | 110.3 | 126.1 | -150.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 53 | H | 42.3 | Very low | 41.8 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | 174.8 | 148.6 | 106.3 | -105.3 | -77.5 | 0 | 0 | 0 | 113.8 | |||||
| 54 | E | 39.9 | Very low | 41.4 | Very low | 152 Ų | 152 | 141 Ų | 141 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | -42.4 | 150.2 | 174.5 | -83 | 173.6 | 141.7 | 0 | 0 | 120.4 | ||||
| 55 | T | 36.5 | Very low | 41.2 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 87% | 0.865 | 75% | 0.747 | S | S | * | * | trans | 74.9 | 125.7 | 140.1 | 61.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 56 | G | 38.2 | Very low | 40.9 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 162 | 66.4 | 164 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 57 | T | 38.9 | Very low | 41 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | 34.9 | 120.6 | 140.4 | 32.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 58 | R | 37.5 | Very low | 41.3 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 85% | 0.849 | 74% | 0.735 | S | S | * | * | 75.5 | 127.9 | 126.5 | -65.3 | 173.4 | -176.3 | -173.6 | 2.1 | 120.3 | |||||
| 59 | I | 42 | Very low | 41.3 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | 170.2 | 104.5 | 120.5 | -79.7 | 151 | 0 | 0 | 0 | 107.6 | |||||
| 60 | S | 44.9 | Very low | 41.5 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | 64.3 | 117.9 | 108.7 | -150.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 61 | T | 44.5 | Very low | 41.6 | Very low | 116 Ų | 116 | 147 Ų | 147 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | -178.2 | 141.7 | 75.1 | 32.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 62 | H | 45.2 | Very low | 41.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 57.8 | 132 | 149.1 | -85.3 | -90.7 | 0 | 0 | 0 | 120.6 | ||||
| 63 | H | 38.1 | Very low | 41.4 | Very low | 156 Ų | 156 | 150 Ų | 150 | 72% | 0.722 | 75% | 0.747 | S | S | * | * | cis | -163.6 | 120.4 | 34.1 | 171.9 | -78.7 | 0 | 0 | 0 | 112.8 | ||||
| 64 | L | 43.6 | Very low | 41.3 | Very low | 108 Ų | 108 | 147 Ų | 147 | 57% | 0.565 | 74% | 0.743 | S | S | * | * | trans | 31.1 | 118 | 140.2 | -76.4 | 99.4 | 0 | 0 | 0 | 120.9 | ||||
| 65 | E | 42.1 | Very low | 41.3 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | 80.3 | 138.3 | 81.8 | -89.1 | -157.1 | 138.9 | 0 | 0 | 112.4 | |||||
| 66 | R | 42.1 | Very low | 42 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | cis | -167.2 | 135.9 | 29.9 | -113.2 | 156.2 | -177.5 | 173.4 | 13 | 107.6 | ||||
| 67 | S | 43.4 | Very low | 42.1 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | 69.4 | 130.9 | 87.3 | -44.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 68 | D | 42.4 | Very low | 42.3 | Very low | 128 Ų | 128 | 147 Ų | 147 | 68% | 0.684 | 73% | 0.732 | S | S | * | * | cis | -168.4 | 130.1 | 47 | -87.6 | -52.6 | 0 | 0 | 0 | 108.7 | ||||
| 69 | R | 41.5 | Very low | 42.7 | Very low | 213 Ų | 213 | 144.3 Ų | 144.3 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | 78 | 140.3 | 82.7 | -77.8 | -171.8 | -175.5 | -168 | 3.5 | 116.4 | |||||
| 70 | I | 44.3 | Very low | 42.4 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | trans | 86.2 | 127 | 155.1 | -62.1 | 146.3 | 0 | 0 | 0 | 114.1 | ||||
| 71 | R | 42.2 | Very low | 42.4 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 86% | 0.857 | 73% | 0.725 | S | S | * | * | cis | -165 | 128.4 | 21 | -116.4 | 158.9 | -170.3 | -156.7 | -0.4 | 108.1 | ||||
| 72 | Q | 39.8 | Very low | 42.4 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | 23.1 | 117.3 | 107 | -93.4 | -179.1 | -1.9 | 0 | 0 | 118.4 | |||||
| 73 | D | 40.7 | Very low | 42.1 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -156.7 | 130.5 | 131.2 | -149.7 | 1.6 | 0 | 0 | 0 | 111 | ||||
| 74 | P | 40.1 | Very low | 42.1 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | trans | -107.5 | 160.9 | 169.4 | 36.4 | -25.3 | 0 | 0 | 0 | 112.3 | ||||
| 75 | S | 40.1 | Very low | 42.1 | Very low | 96 Ų | 96 | 152.6 Ų | 152.6 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | 120.3 | 128.4 | 152.3 | 84.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 76 | Q | 49.8 | Very low | 41.8 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 73.2 | 133.2 | 150.7 | -63 | -179.9 | 81.9 | 0 | 0 | 116.8 | ||||
| 77 | T | 41 | Very low | 41.8 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | cis | -176 | 148.3 | 12 | 21.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 78 | T | 42.8 | Very low | 41.5 | Very low | 107 Ų | 107 | 155 Ų | 155 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | trans | 58 | 119.9 | 153 | 61.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 79 | H | 45.6 | Very low | 41.4 | Very low | 170 Ų | 170 | 159.8 Ų | 159.8 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | -158.5 | 121.9 | 73.1 | -62.8 | -73.4 | 0 | 0 | 0 | 108.2 | |||||
| 80 | R | 37.1 | Very low | 41 | Very low | 234 Ų | 234 | 158 Ų | 158 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | 58.1 | 121.3 | 96.9 | -168 | -174.6 | 168.9 | -166.9 | -3.8 | 112.3 | |||||
| 81 | S | 44.8 | Very low | 40.7 | Very low | 83 Ų | 83 | 159.9 Ų | 159.9 | 58% | 0.58 | 77% | 0.769 | S | S | * | * | cis | -169.1 | 149.1 | -6.3 | 57.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 82 | K | 42.9 | Very low | 40.5 | Very low | 176 Ų | 176 | 155.2 Ų | 155.2 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | 45.4 | 135.1 | 127.4 | -62.7 | 178.9 | -176.5 | -173.8 | 0 | 118.6 | |||||
| 83 | H | 40.1 | Very low | 40.7 | Very low | 150 Ų | 150 | 157.5 Ų | 157.5 | 69% | 0.694 | 77% | 0.766 | S | S | * | * | cis | -166.1 | 139.5 | 29.9 | -112.3 | -66.5 | 0 | 0 | 0 | 108.2 | ||||
| 84 | K | 38.3 | Very low | 41 | Very low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | -67.2 | 130.3 | 149.6 | -75.1 | 174.7 | 173.5 | 177.4 | 0 | 107.6 | ||||
| 85 | I | 43.1 | Very low | 41.1 | Very low | 137 Ų | 137 | 160.2 Ų | 160.2 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | trans | -124.3 | 100 | 157.5 | -71.3 | 161.4 | 0 | 0 | 0 | 106.9 | ||||
| 86 | S | 35.7 | Very low | 41.1 | Very low | 98 Ų | 98 | 164 Ų | 164 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -63.7 | 133.5 | 151.4 | 54 | 0 | 0 | 0 | 0 | 109 | ||||
| 87 | H | 41.6 | Very low | 40.8 | Very low | 162 Ų | 162 | 163.7 Ų | 163.7 | 75% | 0.75 | 78% | 0.781 | S | S | * | * | trans | -170 | 97.8 | 146.8 | -73.9 | -50.7 | 0 | 0 | 0 | 107 | ||||
| 88 | K | 37.6 | Very low | 40.8 | Very low | 205 Ų | 205 | 163.1 Ų | 163.1 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | 34.7 | 90.4 | 90 | -81.4 | -175.3 | 178.5 | 177.8 | 0 | 114.1 | |||||
| 89 | R | 39.5 | Very low | 40.7 | Very low | 227 Ų | 227 | 165 Ų | 165 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | -144.3 | 103.5 | 148.7 | -75.2 | -168.2 | 165.8 | -176.5 | -5.2 | 108 | ||||
| 90 | H | 33 | Very low | 40.5 | Very low | 177 Ų | 177 | 166.6 Ų | 166.6 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | 66.6 | 75 | 105 | -83 | -77.5 | 0 | 0 | 0 | 113.7 | |||||
| 91 | H | 39.5 | Very low | 40.7 | Very low | 183 Ų | 183 | 160.8 Ų | 160.8 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -102.7 | 100 | 151.3 | -92.7 | -62.3 | 0 | 0 | 0 | 109.8 | R93 | H91-R93 PolarHBondContact O-N 3.46Å; H91-R93 VanDerWaalsContact O-N 3.08Å | ||
| 92 | V | 38 | Very low | 40.5 | Very low | 128 Ų | 128 | 163.1 Ų | 163.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -52.3 | 101.5 | 152.7 | 173.4 | 0 | 0 | 0 | 0 | 106.7 | S94 | V92-S94 PolarHBondContact O-N 2.9Š| ||
| 93 | R | 43.3 | Very low | 40.5 | Very low | 237 Ų | 237 | 163.2 Ų | 163.2 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | -84.1 | 102.6 | 172.6 | -125.4 | 177.9 | 177.3 | -173.7 | -1.4 | 107.8 | H91 K95 | H91-R93 PolarHBondContact O-N 3.46Å; H91-R93 VanDerWaalsContact O-N 3.08Å; R93-K95 PolarHBondContact O-N 3.42Å | ||
| 94 | S | 46.7 | Very low | 40.7 | Very low | 106 Ų | 106 | 160.7 Ų | 160.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -43.6 | 124 | 167.3 | 19.4 | 0 | 0 | 0 | 0 | 111.4 | V92 K96 | V92-S94 PolarHBondContact O-N 2.9Å; S94-K96 PolarHBondContact O-N 2.85Å; S94-K96 VanDerWaalsContact O-N 3.16Å | ||
| 95 | K | 42.1 | Very low | 40.9 | Very low | 214 Ų | 214 | 159.9 Ų | 159.9 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -71.9 | 91.1 | 165.2 | -73 | -175.9 | 173.1 | -178.3 | 0 | 108.7 | R93 | R93-K95 PolarHBondContact O-N 3.42Š| ||
| 96 | K | 41.2 | Very low | 40.9 | Very low | 175 Ų | 175 | 158.5 Ų | 158.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | trans | -163.4 | 93.7 | 161.3 | -149.8 | 155.3 | -178 | 175.6 | 0 | 110.9 | S94 | S94-K96 PolarHBondContact O-N 2.85Å; S94-K96 VanDerWaalsContact O-N 3.16Å | ||
| 97 | D | 42.8 | Very low | 41.3 | Very low | 161 Ų | 161 | 159 Ų | 159 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -173.7 | 66.9 | 159.6 | -91.6 | -21.1 | 0 | 0 | 0 | 104.7 | ||||
| 98 | T | 41.4 | Very low | 41.2 | Very low | 94 Ų | 94 | 160.4 Ų | 160.4 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | 35.8 | 99.6 | 87.8 | 43.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 99 | Q | 40.4 | Very low | 42.2 | Very low | 148 Ų | 148 | 161.8 Ų | 161.8 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | 52.3 | 87.6 | 120.2 | -65.9 | 173.8 | -15.3 | 0 | 0 | 115.7 | |||||
| 100 | K | 41.4 | Very low | 43.1 | Very low | 203 Ų | 203 | 161.9 Ų | 161.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -123.4 | 117.1 | 147.2 | -76.8 | -173.3 | 176.3 | -177.2 | 0 | 107.3 | ||||
| 101 | P | 42 | Very low | 45.2 | Very low | 111 Ų | 111 | 161.5 Ų | 161.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | -77.9 | 131.6 | 173.8 | 31.4 | -29 | 0 | 0 | 0 | 110 | ||||
| 102 | D | 40.8 | Very low | 46.7 | Very low | 133 Ų | 133 | 157 Ų | 157 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 34.5 | 93 | 144.4 | -54.4 | -22.8 | 0 | 0 | 0 | 118.9 | ||
| 103 | I | 42.8 | Very low | 48.5 | Very low | 177 Ų | 177 | 157.8 Ų | 157.8 | 91% | 0.908 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -152.8 | 3.5 | 151.9 | -98.8 | 143.7 | 0 | 0 | 0 | 113 | ||
| 104 | S | 43 | Very low | 49.9 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | trans | -125.5 | 46.2 | -177.6 | 75.6 | 0 | 0 | 0 | 0 | 113.7 | S106 | S104-S106 PolarHBondContact O-N 3.04Š| ||
| 105 | E | 43.8 | Very low | 51.5 | Low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 77.6 | 169.8 | -77.6 | -169.5 | 140.5 | 0 | 0 | 110.9 | ||
| 106 | S | 42.1 | Very low | 53 | Low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163 | 2.6 | 162.5 | 57 | 0 | 0 | 0 | 0 | 114.9 | S104 | S104-S106 PolarHBondContact O-N 3.04Š|
| 107 | T | 43.8 | Very low | 54.6 | Low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.663 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -106.1 | 113.5 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 110.1 | R109 | T107-R109 PolarHBondContact O-N 3.34Š|
| 108 | H | 40.5 | Very low | 56.3 | Low | 192 Ų | 192 | 143.7 Ų | 143.7 | 89% | 0.889 | 69% | 0.685 | S | S | * | * | trans | -50.5 | 103.9 | -176.6 | -74.2 | -78.9 | 0 | 0 | 0 | 112.4 | ||||
| 109 | R | 58.8 | Low | 58 | Low | 233 Ų | 233 | 143.7 Ų | 143.7 | 88% | 0.879 | 68% | 0.682 | S | S | * | * | trans | -83.2 | 123.8 | 168.9 | -69.9 | -107.4 | -86 | -112.1 | -4.9 | 108.6 | T107 R111 | T107-R109 PolarHBondContact O-N 3.34Å; R109-R111 PolarHBondContact O-N 2.65Å | ||
| 110 | Y | 57.8 | Low | 59.1 | Low | 230 Ų | 230 | 139.7 Ų | 139.7 | 90% | 0.902 | 68% | 0.68 | S | S | * | * | trans | -52.1 | 128.4 | 172.7 | -72.7 | -81.9 | 0 | 0 | 0 | 110.6 | D112 | Y110-D112 PolarHBondContact O-N 3.38Å; Y110-D112 VanDerWaalsContact O-N 3.12Å | ||
| 111 | R | 76.4 | Confident | 60.2 | Low | 169 Ų | 169 | 138.2 Ų | 138.2 | 64% | 0.638 | 67% | 0.674 | S | S | * | * | trans | -60.9 | 111.7 | 174.6 | -176.5 | 171.6 | 167 | 135.1 | 4.5 | 109.4 | R109 R113 E116 | R109-R111 PolarHBondContact O-N 2.65Å; R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.2Å; R111-E116 VanDerWaalsContact CG-OE1 3.23Å; R111-E116 WeakPolarHBondContact CG-OE1 3.4Å; R111-E116 IonicContact CZ-OE1 2.63Å; R111-E116 IonicContact CZ-OE2 3.17Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 3.22Å; R111-E116 PolarHBondContact NE-OE1 3.14Å; R111-E116 IonicContact NE-OE2 2.83Å; R111-E116 PolarHBondContact NE-OE2 2.83Å; R111-E116 VanDerWaalsContact NH2-CD 3.31Å; R111-E116 IonicContact NH2-OE1 3.06Å; R111-E116 PolarHBondContact NH2-OE1 2.89Å; R111-E116 IonicContact NH2-OE2 3.21Å; R111-E116 PolarHBondContact NH2-OE2 3.32Å | ||
| 112 | D | 70.5 | Confident | 60.6 | Low | 89 Ų | 89 | 136.3 Ų | 136.3 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | trans | -72.1 | 82.3 | 179.1 | -173.3 | -8.6 | 0 | 0 | 0 | 110.6 | Y110 A114 K115 E116 | Y110-D112 PolarHBondContact O-N 3.38Å; Y110-D112 VanDerWaalsContact O-N 3.12Å; D112-A114 PolarHBondContact O-N 3.08Å; D112-A114 WeakPolarHBondContact OD1-CA 3.34Å; D112-A114 WeakPolarHBondContact OD1-CB 3.35Å; D112-A114 PolarHBondContact OD1-N 3.44Å; D112-K115 HydrophobicContact CB-CB 3.95Å; D112-K115 PolarHBondContact O-N 3.1Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.4Å; D112-K115 VanDerWaalsContact OD2-CB 3.31Å; D112-K115 WeakPolarHBondContact OD2-CB 3.37Å; D112-E116 PolarHBondContact O-N 3.28Å | ||
| 113 | R | 77.5 | Confident | 61.1 | Low | 144 Ų | 144 | 136.3 Ų | 136.3 | 54% | 0.543 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -63.6 | -18.6 | 177.7 | -158.7 | 174.9 | -74.9 | -141 | -0.9 | 112 | R111 R117 L122 | R111-R113 VanDerWaalsContact C-N 3.26Å; R111-R113 PolarHBondContact O-N 3.2Å; R113-R117 VanDerWaalsContact O-CG 3.26Å; R113-R117 WeakPolarHBondContact O-CG 3.21Å; R113-R117 PolarHBondContact O-N 2.88Å; R113-L122 HydrophobicContact CG-CD1 4.01Å |
| 114 | A | 72.2 | Confident | 61.4 | Low | 57 Ų | 57 | 131.3 Ų | 131.3 | 47% | 0.471 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -79.9 | -35.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D112 R118 | D112-A114 PolarHBondContact O-N 3.08Å; D112-A114 WeakPolarHBondContact OD1-CA 3.34Å; D112-A114 WeakPolarHBondContact OD1-CB 3.35Å; D112-A114 PolarHBondContact OD1-N 3.44Å; A114-R118 PolarHBondContact O-N 2.81Å |
| 115 | K | 80.7 | Confident | 61.3 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 50% | 0.5 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -67.3 | -43.2 | 169.3 | -176.8 | 177.9 | -175 | -62.5 | 0 | 111.9 | D112 R117 R118 D119 | D112-K115 HydrophobicContact CB-CB 3.95Å; D112-K115 PolarHBondContact O-N 3.1Å; D112-K115 VanDerWaalsContact O-N 3.15Å; D112-K115 PolarHBondContact OD1-N 3.4Å; D112-K115 VanDerWaalsContact OD2-CB 3.31Å; D112-K115 WeakPolarHBondContact OD2-CB 3.37Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 3.07Å; K115-R118 WeakPolarHBondContact O-CA 3.45Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 2.94Å; K115-D119 WeakPolarHBondContact CG-OD2 3.34Å; K115-D119 IonicContact NZ-OD2 2.65Å; K115-D119 PolarHBondContact NZ-OD2 2.66Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.01Å |
| 116 | E | 73.4 | Confident | 61.1 | Low | 41 Ų | 41 | 129.4 Ų | 129.4 | 19% | 0.192 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -63.7 | -31.2 | 177 | -69 | 177.8 | 178.3 | 0 | 0 | 113.5 | R111 D112 G120 K121 L122 | R111-E116 VanDerWaalsContact CG-OE1 3.23Å; R111-E116 WeakPolarHBondContact CG-OE1 3.4Å; R111-E116 IonicContact CZ-OE1 2.63Å; R111-E116 IonicContact CZ-OE2 3.17Å; R111-E116 VanDerWaalsContact CZ-OE2 3.27Å; R111-E116 IonicContact NE-OE1 3.22Å; R111-E116 PolarHBondContact NE-OE1 3.14Å; R111-E116 IonicContact NE-OE2 2.83Å; R111-E116 PolarHBondContact NE-OE2 2.83Å; R111-E116 VanDerWaalsContact NH2-CD 3.31Å; R111-E116 IonicContact NH2-OE1 3.06Å; R111-E116 PolarHBondContact NH2-OE1 2.89Å; R111-E116 IonicContact NH2-OE2 3.21Å; R111-E116 PolarHBondContact NH2-OE2 3.32Å; D112-E116 PolarHBondContact O-N 3.28Å; E116-G120 PolarHBondContact O-N 3.44Å; E116-K121 PolarHBondContact O-N 2.82Å; E116-L122 HydrophobicContact CB-CD1 3.8Å; E116-L122 HydrophobicContact CB-CG 4.02Å |
| 117 | R | 74.6 | Confident | 61.2 | Low | 172 Ų | 172 | 133.8 Ų | 133.8 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.3 | -30.3 | 170.7 | -74 | -179.4 | -175 | 130.9 | -4.1 | 112.8 | R113 K115 L122 | R113-R117 VanDerWaalsContact O-CG 3.26Å; R113-R117 WeakPolarHBondContact O-CG 3.21Å; R113-R117 PolarHBondContact O-N 2.88Å; K115-R117 VanDerWaalsContact C-N 3.28Å; K115-R117 PolarHBondContact O-N 3.07Å; R117-L122 HydrophobicContact CB-CD1 4.35Å; R117-L122 HydrophobicContact CG-CD1 3.37Å |
| 118 | R | 78.4 | Confident | 60.7 | Low | 211 Ų | 211 | 137.1 Ų | 137.1 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -78.4 | -38 | 178.7 | -165.7 | -178 | -59.4 | -176.4 | 3.6 | 112 | A114 K115 G120 | A114-R118 PolarHBondContact O-N 2.81Å; K115-R118 WeakPolarHBondContact O-CA 3.45Å; K115-R118 WeakPolarHBondContact O-CB 3.4Å; K115-R118 PolarHBondContact O-N 2.94Å; R118-G120 PolarHBondContact O-N 2.96Å |
| 119 | D | 76.1 | Confident | 60.7 | Low | 94 Ų | 94 | 130.7 Ų | 130.7 | 50% | 0.503 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.2 | 6.1 | 178.1 | -66 | -15.6 | 0 | 0 | 0 | 112.4 | K115 K121 | K115-D119 WeakPolarHBondContact CG-OD2 3.34Å; K115-D119 IonicContact NZ-OD2 2.65Å; K115-D119 PolarHBondContact NZ-OD2 2.66Å; K115-D119 WeakPolarHBondContact O-CB 3.42Å; K115-D119 PolarHBondContact O-N 3.01Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 VanDerWaalsContact O-N 3.15Å |
| 120 | G | 63.8 | Low | 59.8 | Low | 64 Ų | 64 | 127.5 Ų | 127.5 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.7 | 13.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E116 R118 L122 | E116-G120 PolarHBondContact O-N 3.44Å; R118-G120 PolarHBondContact O-N 2.96Å; G120-L122 PolarHBondContact O-N 3.5Å |
| 121 | K | 64.8 | Low | 59 | Low | 172 Ų | 172 | 124.8 Ų | 124.8 | 75% | 0.748 | 63% | 0.627 | S | S | * | * | trans | -88.5 | 5.7 | -170.2 | -122 | 173.1 | -177.6 | -172.6 | 0 | 114.7 | E116 D119 V123 | E116-K121 PolarHBondContact O-N 2.82Å; D119-K121 PolarHBondContact O-N 3.11Å; D119-K121 VanDerWaalsContact O-N 3.15Å; K121-V123 PolarHBondContact O-N 3.24Å | ||
| 122 | L | 51.4 | Low | 57.4 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 38% | 0.377 | 63% | 0.626 | S | S | . | * | trans | -99.2 | 83.7 | 177.3 | -85.2 | 159.7 | 0 | 0 | 0 | 111.1 | R113 E116 R117 G120 | R113-L122 HydrophobicContact CG-CD1 4.01Å; E116-L122 HydrophobicContact CB-CD1 3.8Å; E116-L122 HydrophobicContact CB-CG 4.02Å; R117-L122 HydrophobicContact CB-CD1 4.35Å; R117-L122 HydrophobicContact CG-CD1 3.37Å; G120-L122 PolarHBondContact O-N 3.5Å | ||
| 123 | V | 49.8 | Very low | 56.3 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 81% | 0.806 | 63% | 0.634 | S | S | * | * | trans | -71.7 | 132.7 | 153.2 | 177.4 | 0 | 0 | 0 | 0 | 107.5 | K121 | K121-V123 PolarHBondContact O-N 3.24Š| ||
| 124 | A | 49.5 | Very low | 54.7 | Low | 71 Ų | 71 | 127.4 Ų | 127.4 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | trans | -60 | 148 | -173 | 0 | 0 | 0 | 0 | 0 | 112.6 | T126 | A124-T126 PolarHBondContact O-N 3.37Š| ||
| 125 | P | 41.1 | Very low | 53.5 | Low | 137 Ų | 137 | 129.3 Ų | 129.3 | 89% | 0.89 | 64% | 0.644 | S | S | * | * | trans | -69.2 | 101.9 | 175.3 | -6.6 | 22.9 | 0 | 0 | 0 | 108.9 | ||||
| 126 | T | 39 | Very low | 51.9 | Low | 104 Ų | 104 | 131.1 Ų | 131.1 | 64% | 0.638 | 65% | 0.654 | S | S | * | * | trans | -107.2 | 126.7 | 166 | -31.3 | 0 | 0 | 0 | 0 | 105.6 | A124 E128 | A124-T126 PolarHBondContact O-N 3.37Å; T126-E128 PolarHBondContact O-N 3.29Å | ||
| 127 | E | 44.2 | Very low | 50.6 | Low | 201 Ų | 201 | 135 Ų | 135 | 94% | 0.939 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | 45.5 | -168.6 | -62.4 | -172.6 | 151.9 | 0 | 0 | 114.2 | ||
| 128 | E | 35.3 | Very low | 49.3 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 84% | 0.836 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.3 | 12.7 | -179.7 | -64.2 | -172.2 | 172.3 | 0 | 0 | 113.5 | T126 | T126-E128 PolarHBondContact O-N 3.29Š|
| 129 | V | 40.1 | Very low | 47.9 | Very low | 56 Ų | 56 | 124.7 Ų | 124.7 | 34% | 0.339 | 65% | 0.65 | S | S | . | * | trans | -130.9 | 52.3 | -169.5 | -163.5 | 0 | 0 | 0 | 0 | 112.4 | E132 | V129-E132 HydrophobicContact CG1-CB 3.75Å; V129-E132 HydrophobicContact CG1-CG 3.95Å; V129-E132 VanDerWaalsContact CG1-OE2 3.27Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.33Å | ||
| 130 | E | 39.4 | Very low | 46.7 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 78% | 0.78 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -94.3 | -9.5 | 164.4 | -74.3 | -172.3 | 158.6 | 0 | 0 | 112.6 | ||
| 131 | E | 40.9 | Very low | 46.2 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -93.4 | -13.7 | 179.1 | -67.6 | -174.7 | 166.4 | 0 | 0 | 114.3 | ||
| 132 | E | 43.6 | Very low | 45.5 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -93.3 | -14.8 | -175.8 | -62.9 | -175.9 | 162.4 | 0 | 0 | 114.4 | V129 I135 | V129-E132 HydrophobicContact CG1-CB 3.75Å; V129-E132 HydrophobicContact CG1-CG 3.95Å; V129-E132 VanDerWaalsContact CG1-OE2 3.27Å; V129-E132 WeakPolarHBondContact CG1-OE2 3.33Å; E132-I135 PolarHBondContact O-N 3.28Å |
| 133 | R | 45.9 | Very low | 45.8 | Very low | 172 Ų | 172 | 126 Ų | 126 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -7.1 | 178.8 | -80.6 | -164.3 | -70.5 | -95.7 | -5.2 | 114.5 | I135 | R133-I135 VanDerWaalsContact C-N 3.34Š|
| 134 | E | 44.1 | Very low | 46.2 | Very low | 155 Ų | 155 | 130.4 Ų | 130.4 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -6.3 | 169.6 | -65.5 | -170.1 | 166.5 | 0 | 0 | 112.3 | ||
| 135 | I | 46.6 | Very low | 46.5 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.6 | -31.2 | -176.4 | -54.2 | 177.7 | 0 | 0 | 0 | 111.9 | E132 R133 N137 D138 | E132-I135 PolarHBondContact O-N 3.28Å; R133-I135 VanDerWaalsContact C-N 3.34Å; I135-N137 PolarHBondContact O-N 2.8Å; I135-D138 PolarHBondContact O-N 3.29Å; I135-D138 VanDerWaalsContact O-N 3.1Å |
| 136 | E | 47.2 | Very low | 47.1 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 72% | 0.715 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -15.3 | -178.9 | -73.3 | -175.6 | 161.1 | 0 | 0 | 114.1 | ||
| 137 | N | 47.2 | Very low | 47.7 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 65% | 0.647 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.2 | 173.2 | -64.9 | -55.8 | 0 | 0 | 0 | 112.9 | I135 T141 | I135-N137 PolarHBondContact O-N 2.8Å; N137-T141 PolarHBondContact O-OG1 3.26Å |
| 138 | D | 46.6 | Very low | 48 | Very low | 70 Ų | 70 | 131 Ų | 131 | 37% | 0.374 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -18.5 | 177.5 | -95.7 | -7.2 | 0 | 0 | 0 | 112.2 | I135 T141 L142 | I135-D138 PolarHBondContact O-N 3.29Å; I135-D138 VanDerWaalsContact O-N 3.1Å; D138-T141 PolarHBondContact O-N 3.4Å; D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.36Å |
| 139 | D | 49.3 | Very low | 48.8 | Very low | 97 Ų | 97 | 130.9 Ų | 130.9 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -69.2 | -37.7 | 179.1 | -85.8 | -27.5 | 0 | 0 | 0 | 112.9 | T141 L142 T143 | D139-T141 PolarHBondContact O-N 3.46Å; D139-L142 PolarHBondContact O-N 3.18Å; D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 VanDerWaalsContact O-N 3.09Å; D139-T143 PolarHBondContact O-OG1 3.12Å |
| 140 | D | 51.3 | Low | 49.4 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -71.3 | -22.6 | 173.9 | -77.5 | -25.9 | 0 | 0 | 0 | 112.3 | ||
| 141 | T | 52.8 | Low | 49.7 | Very low | 84 Ų | 84 | 131.4 Ų | 131.4 | 52% | 0.515 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -85.4 | -33.2 | 177.5 | -39.8 | 0 | 0 | 0 | 0 | 111.7 | N137 D138 D139 T145 | N137-T141 PolarHBondContact O-OG1 3.26Å; D138-T141 PolarHBondContact O-N 3.4Å; D139-T141 PolarHBondContact O-N 3.46Å; T141-T145 PolarHBondContact O-OG1 3.26Å |
| 142 | L | 51.3 | Low | 49.9 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 60% | 0.597 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70 | -34.5 | 172.8 | -115 | 70.4 | 0 | 0 | 0 | 112.4 | D138 D139 T145 A146 | D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.36Å; D139-L142 PolarHBondContact O-N 3.18Å; L142-T145 PolarHBondContact O-OG1 3.24Å; L142-A146 PolarHBondContact O-N 3.38Å |
| 143 | T | 57.7 | Low | 50.5 | Low | 99 Ų | 99 | 125.5 Ų | 125.5 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.1 | -29.6 | -179 | -44.7 | 0 | 0 | 0 | 0 | 112.1 | D139 T145 | D139-T143 PolarHBondContact O-N 2.97Å; D139-T143 VanDerWaalsContact O-N 3.09Å; D139-T143 PolarHBondContact O-OG1 3.12Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact O-N 3.46Å |
| 144 | R | 57.9 | Low | 50.2 | Low | 225 Ų | 225 | 122.2 Ų | 122.2 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -10 | 179.1 | -138.5 | 177.8 | 89.9 | -176.7 | 5.2 | 114.8 | ||
| 145 | T | 55.8 | Low | 50.3 | Low | 91 Ų | 91 | 121.4 Ų | 121.4 | 56% | 0.558 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 1.2 | -178.3 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | T141 L142 T143 D147 | T141-T145 PolarHBondContact O-OG1 3.26Å; L142-T145 PolarHBondContact O-OG1 3.24Å; T143-T145 VanDerWaalsContact C-N 3.28Å; T143-T145 PolarHBondContact O-N 3.46Å; T145-D147 VanDerWaalsContact C-N 3.3Å; T145-D147 PolarHBondContact O-N 3.5Å |
| 146 | A | 53.3 | Low | 50.5 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 52% | 0.521 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -69.4 | -22.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L142 Y148 | L142-A146 PolarHBondContact O-N 3.38Å; A146-Y148 VanDerWaalsContact C-N 3.29Å; A146-Y148 PolarHBondContact O-N 2.95Å |
| 147 | D | 51.9 | Low | 50.6 | Low | 146 Ų | 146 | 117.9 Ų | 117.9 | 78% | 0.781 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -79.6 | -2 | -174.3 | -67.5 | -18.8 | 0 | 0 | 0 | 114.9 | T145 | T145-D147 VanDerWaalsContact C-N 3.3Å; T145-D147 PolarHBondContact O-N 3.5Å |
| 148 | Y | 50.1 | Low | 50.6 | Low | 225 Ų | 225 | 116 Ų | 116 | 88% | 0.882 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -121 | 8.9 | -177.4 | -70.4 | -79 | 0 | 0 | 0 | 115.4 | A146 | A146-Y148 VanDerWaalsContact C-N 3.29Å; A146-Y148 PolarHBondContact O-N 2.95Å |
| 149 | R | 52.1 | Low | 51.1 | Low | 178 Ų | 178 | 115.3 Ų | 115.3 | 67% | 0.672 | 70% | 0.696 | S | S | * | * | trans | -110.4 | 51.3 | -171.5 | -155.7 | -177.1 | -173.8 | -178.2 | 4.9 | 114 | V151 P153 | R149-V151 PolarHBondContact O-N 3.33Å; R149-P153 VanDerWaalsContact NH2-CB 3.3Å | ||
| 150 | A | 52.3 | Low | 51.3 | Low | 103 Ų | 103 | 114.3 Ų | 114.3 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | trans | -82.6 | 21 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 151 | V | 47 | Very low | 51.6 | Low | 130 Ų | 130 | 115.4 Ų | 115.4 | 79% | 0.788 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -142.7 | 129.1 | 177.2 | -155.6 | 0 | 0 | 0 | 0 | 109.8 | R149 | R149-V151 PolarHBondContact O-N 3.33Š|
| 152 | A | 44.9 | Very low | 52.5 | Low | 91 Ų | 91 | 114 Ų | 114 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | trans | -48.9 | 137.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S154 | A152-S154 PolarHBondContact O-N 3.42Š| ||
| 153 | P | 54.8 | Low | 53.3 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | trans | -77.1 | 115.5 | 179.1 | 30 | -29.3 | 0 | 0 | 0 | 110.7 | R149 | R149-P153 VanDerWaalsContact NH2-CB 3.3Š| ||
| 154 | S | 40.8 | Very low | 53.7 | Low | 102 Ų | 102 | 116.6 Ų | 116.6 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | trans | -63.6 | 139.4 | 169.7 | 59.7 | 0 | 0 | 0 | 0 | 111.1 | A152 A156 | A152-S154 PolarHBondContact O-N 3.42Å; S154-A156 PolarHBondContact O-N 2.88Å | ||
| 155 | S | 45.5 | Very low | 54.2 | Low | 138 Ų | 138 | 113.8 Ų | 113.8 | 97% | 0.965 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -60.9 | 49.5 | -171.9 | -49.3 | 0 | 0 | 0 | 0 | 117.7 | ||
| 156 | A | 50.1 | Low | 55.1 | Low | 81 Ų | 81 | 118 Ų | 118 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | trans | -130.2 | 11.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S154 G158 | S154-A156 PolarHBondContact O-N 2.88Å; A156-G158 PolarHBondContact O-N 3.46Å | ||
| 157 | A | 50.1 | Low | 56 | Low | 97 Ų | 97 | 120.7 Ų | 120.7 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | trans | -79.4 | 22.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 116 | A159 | A157-A159 PolarHBondContact O-N 2.93Š| ||
| 158 | G | 47.3 | Very low | 57 | Low | 82 Ų | 82 | 119.1 Ų | 119.1 | 85% | 0.845 | 68% | 0.679 | S | S | * | * | trans | -85 | 26.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A156 S160 | A156-G158 PolarHBondContact O-N 3.46Å; G158-S160 PolarHBondContact O-N 3.46Å | ||
| 159 | A | 56.3 | Low | 57.7 | Low | 55 Ų | 55 | 113 Ų | 113 | 46% | 0.455 | 66% | 0.66 | S | S | . | * | trans | -78.1 | 102.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A157 E163 | A157-A159 PolarHBondContact O-N 2.93Å; A159-E163 VanDerWaalsContact CB-OE2 3.26Å; A159-E163 WeakPolarHBondContact CB-OE2 3.15Å | ||
| 160 | S | 54.7 | Low | 58.6 | Low | 76 Ų | 76 | 110.1 Ų | 110.1 | 53% | 0.531 | 66% | 0.655 | S | S | . | * | trans | -23.8 | 138.7 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 116.1 | G158 A162 E163 R164 | G158-S160 PolarHBondContact O-N 3.46Å; S160-A162 PolarHBondContact O-N 3.2Å; S160-A162 PolarHBondContact OG-N 3.24Å; S160-E163 WeakPolarHBondContact O-CB 3.44Å; S160-E163 PolarHBondContact O-N 2.76Å; S160-R164 PolarHBondContact O-N 3.4Å | ||
| 161 | H | 57.5 | Low | 59.2 | Low | 156 Ų | 156 | 111.7 Ų | 111.7 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -39.5 | -29.9 | 167.4 | 179.8 | 85.8 | 0 | 0 | 0 | 114.2 | R165 | H161-R165 WeakPolarHBondContact O-CB 3.47Å; H161-R165 PolarHBondContact O-N 3.03Å |
| 162 | A | 70.6 | Confident | 59.9 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 44% | 0.438 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.8 | -33.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S160 R166 | S160-A162 PolarHBondContact O-N 3.2Å; S160-A162 PolarHBondContact OG-N 3.24Å; A162-R166 WeakPolarHBondContact O-CG 3.49Å; A162-R166 PolarHBondContact O-N 3.21Å |
| 163 | E | 67.8 | Low | 60.8 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -78.5 | -35.4 | 178.9 | -142.4 | 162.3 | -147.9 | 0 | 0 | 111 | A159 S160 R165 R166 M167 | A159-E163 VanDerWaalsContact CB-OE2 3.26Å; A159-E163 WeakPolarHBondContact CB-OE2 3.15Å; S160-E163 WeakPolarHBondContact O-CB 3.44Å; S160-E163 PolarHBondContact O-N 2.76Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; E163-R166 PolarHBondContact O-N 3.38Å; E163-M167 WeakPolarHBondContact O-CG 3.18Å; E163-M167 PolarHBondContact O-N 3.25Å |
| 164 | R | 66 | Low | 60.9 | Low | 160 Ų | 160 | 116.1 Ų | 116.1 | 60% | 0.604 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.7 | -40.9 | 168.9 | -146.7 | -174.1 | -68.6 | -166.7 | 1.7 | 111.2 | S160 M167 L168 | S160-R164 PolarHBondContact O-N 3.4Å; R164-M167 PolarHBondContact O-N 3.16Å; R164-L168 PolarHBondContact O-N 2.83Å |
| 165 | R | 69.2 | Low | 61.6 | Low | 166 Ų | 166 | 118 Ų | 118 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -66.4 | -37.3 | 172.7 | -169 | 178.5 | -179.8 | -157.7 | 1.5 | 112.8 | H161 E163 L168 I169 | H161-R165 WeakPolarHBondContact O-CB 3.47Å; H161-R165 PolarHBondContact O-N 3.03Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3.29Å; R165-L168 PolarHBondContact O-N 2.69Å; R165-I169 HydrophobicContact CG-CD1 4Å; R165-I169 WeakPolarHBondContact O-CB 3.38Å; R165-I169 WeakPolarHBondContact O-CD1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.39Å; R165-I169 PolarHBondContact O-N 2.62Å |
| 166 | R | 75.7 | Confident | 61.7 | Low | 180 Ų | 180 | 115 Ų | 115 | 68% | 0.679 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.3 | -39.8 | 175 | -78.3 | 178.4 | -179.1 | -178.1 | 1.5 | 112.3 | A162 E163 I169 Q170 | A162-R166 WeakPolarHBondContact O-CG 3.49Å; A162-R166 PolarHBondContact O-N 3.21Å; E163-R166 PolarHBondContact O-N 3.38Å; R166-I169 PolarHBondContact O-N 3.07Å; R166-Q170 VanDerWaalsContact O-CB 3.29Å; R166-Q170 WeakPolarHBondContact O-CB 3.42Å; R166-Q170 PolarHBondContact O-N 3.47Å |
| 167 | M | 71.3 | Confident | 62 | Low | 118 Ų | 118 | 113.1 Ų | 113.1 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60 | -49 | 172 | -72.8 | -81.8 | -152.5 | 0 | 0 | 110.8 | E163 R164 I169 Q170 E171 | E163-M167 WeakPolarHBondContact O-CG 3.18Å; E163-M167 PolarHBondContact O-N 3.25Å; R164-M167 PolarHBondContact O-N 3.16Å; M167-I169 VanDerWaalsContact C-N 3.34Å; M167-I169 PolarHBondContact O-N 2.88Å; M167-Q170 PolarHBondContact O-N 2.8Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.28Å; M167-E171 PolarHBondContact O-N 2.78Å |
| 168 | L | 73.5 | Confident | 61.9 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 60% | 0.597 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.5 | -43.2 | 174.7 | -99.3 | 151.8 | 0 | 0 | 0 | 113.1 | R164 R165 S172 | R164-L168 PolarHBondContact O-N 2.83Å; R165-L168 PolarHBondContact O-N 2.69Å; L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.14Å |
| 169 | I | 63.5 | Low | 62.3 | Low | 97 Ų | 97 | 119 Ų | 119 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69 | -38 | 177.4 | -68.3 | 165.2 | 0 | 0 | 0 | 110.8 | R165 R166 M167 S172 K173 | R165-I169 HydrophobicContact CG-CD1 4Å; R165-I169 WeakPolarHBondContact O-CB 3.38Å; R165-I169 WeakPolarHBondContact O-CD1 3.28Å; R165-I169 WeakPolarHBondContact O-CG1 3.39Å; R165-I169 PolarHBondContact O-N 2.62Å; R166-I169 PolarHBondContact O-N 3.07Å; M167-I169 VanDerWaalsContact C-N 3.34Å; M167-I169 PolarHBondContact O-N 2.88Å; I169-S172 WeakPolarHBondContact CA-OG 3.33Å; I169-S172 PolarHBondContact O-N 2.66Å; I169-S172 PolarHBondContact O-OG 3.09Å; I169-K173 PolarHBondContact O-N 2.79Å |
| 170 | Q | 71.8 | Confident | 62.5 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 55% | 0.547 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -70.6 | -38.1 | 178.3 | -171.9 | 170.5 | -10.2 | 0 | 0 | 111.9 | R166 M167 S172 K173 Y174 | R166-Q170 VanDerWaalsContact O-CB 3.29Å; R166-Q170 WeakPolarHBondContact O-CB 3.42Å; R166-Q170 PolarHBondContact O-N 3.47Å; M167-Q170 PolarHBondContact O-N 2.8Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; Q170-S172 VanDerWaalsContact C-N 3.33Å; Q170-K173 WeakPolarHBondContact O-CB 3.39Å; Q170-K173 PolarHBondContact O-N 3.41Å; Q170-Y174 HydrophobicContact CG-CE2 4.36Å; Q170-Y174 VanDerWaalsContact O-CD2 3.32Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.4Å |
| 171 | E | 64.1 | Low | 62.4 | Low | 135 Ų | 135 | 127.2 Ų | 127.2 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.8 | -35.5 | 172.2 | -72.4 | 175.3 | 179.1 | 0 | 0 | 111.5 | M167 K173 | M167-E171 WeakPolarHBondContact O-CB 3.37Å; M167-E171 WeakPolarHBondContact O-CG 3.28Å; M167-E171 PolarHBondContact O-N 2.78Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.17Å |
| 172 | S | 63 | Low | 62.2 | Low | 78 Ų | 78 | 121.2 Ų | 121.2 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.8 | -20.9 | 172.8 | 74.7 | 0 | 0 | 0 | 0 | 114.3 | L168 I169 Q170 Y174 | L168-S172 WeakPolarHBondContact O-CB 3.34Å; L168-S172 PolarHBondContact O-N 3.42Å; L168-S172 PolarHBondContact O-OG 3.14Å; I169-S172 WeakPolarHBondContact CA-OG 3.33Å; I169-S172 PolarHBondContact O-N 2.66Å; I169-S172 PolarHBondContact O-OG 3.09Å; Q170-S172 VanDerWaalsContact C-N 3.33Å; S172-Y174 VanDerWaalsContact C-N 3.32Å; S172-Y174 PolarHBondContact O-N 3.37Å |
| 173 | K | 63.9 | Low | 61.4 | Low | 160 Ų | 160 | 126.6 Ų | 126.6 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.2 | -26 | -176.5 | -171.7 | 176.7 | 179.5 | -178.7 | 0 | 113 | I169 Q170 E171 | I169-K173 PolarHBondContact O-N 2.79Å; Q170-K173 WeakPolarHBondContact O-CB 3.39Å; Q170-K173 PolarHBondContact O-N 3.41Å; E171-K173 VanDerWaalsContact C-N 3.31Å; E171-K173 PolarHBondContact O-N 3.17Å |
| 174 | Y | 55.5 | Low | 60.9 | Low | 164 Ų | 164 | 129.7 Ų | 129.7 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 9 | -175.7 | -65.5 | -81.1 | 0 | 0 | 0 | 113.8 | Q170 S172 | Q170-Y174 HydrophobicContact CG-CE2 4.36Å; Q170-Y174 VanDerWaalsContact O-CD2 3.32Å; Q170-Y174 WeakPolarHBondContact O-CD2 3.4Å; S172-Y174 VanDerWaalsContact C-N 3.32Å; S172-Y174 PolarHBondContact O-N 3.37Å |
| 175 | L | 55.8 | Low | 60.4 | Low | 141 Ų | 141 | 126.3 Ų | 126.3 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | trans | -113.3 | 5 | -177.4 | -131.3 | 77.5 | 0 | 0 | 0 | 114.3 | G177 | L175-G177 PolarHBondContact O-N 3.47Š| ||
| 176 | G | 48.9 | Very low | 60.1 | Low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 65% | 0.651 | S | S | * | * | trans | -89.2 | 57.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 177 | G | 55.8 | Low | 59.6 | Low | 41 Ų | 41 | 122.1 Ų | 122.1 | 42% | 0.423 | 64% | 0.638 | S | S | . | * | trans | -127.8 | 125.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L175 T182 | L175-G177 PolarHBondContact O-N 3.47Å; G177-T182 VanDerWaalsContact C-CG2 3.42Å; G177-T182 VanDerWaalsContact O-CG2 3.25Å; G177-T182 WeakPolarHBondContact O-CG2 3.43Å | ||
| 178 | D | 48.6 | Very low | 59.2 | Low | 121 Ų | 121 | 119 Ų | 119 | 65% | 0.647 | 62% | 0.623 | S | S | * | * | trans | -69.4 | 157.1 | -175.6 | -45.8 | -17.1 | 0 | 0 | 0 | 111.1 | E180 H181 T182 | D178-E180 PolarHBondContact O-N 3.41Å; D178-H181 PolarHBondContact O-N 3.39Å; D178-T182 PolarHBondContact O-OG1 2.75Å | ||
| 179 | M | 54.8 | Low | 58.7 | Low | 182 Ų | 182 | 119.2 Ų | 119.2 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.1 | -20.4 | -172.9 | -95.3 | 170.6 | 50.7 | 0 | 0 | 116 | ||
| 180 | E | 59.8 | Low | 59.2 | Low | 156 Ų | 156 | 122 Ų | 122 | 73% | 0.729 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -9.6 | -172.5 | -42.4 | 177.8 | -159.3 | 0 | 0 | 112.2 | D178 | D178-E180 PolarHBondContact O-N 3.41Š|
| 181 | H | 53.6 | Low | 59.4 | Low | 147 Ų | 147 | 120.7 Ų | 120.7 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -128.8 | 22.9 | -164.7 | -64.3 | 103.2 | 0 | 0 | 0 | 113.7 | D178 | D178-H181 PolarHBondContact O-N 3.39Š|
| 182 | T | 52.3 | Low | 60.1 | Low | 29 Ų | 29 | 118.7 Ų | 118.7 | 18% | 0.178 | 62% | 0.623 | C | S | . | * | trans | -120.8 | 63.5 | -172.4 | 43.2 | 0 | 0 | 0 | 0 | 112.7 | G177 D178 L188 | G177-T182 VanDerWaalsContact C-CG2 3.42Å; G177-T182 VanDerWaalsContact O-CG2 3.25Å; G177-T182 WeakPolarHBondContact O-CG2 3.43Å; D178-T182 PolarHBondContact O-OG1 2.75Å; T182-L188 HydrophobicContact CG2-CD1 4.06Å; T182-L188 WeakPolarHBondContact O-CD2 3.45Å | ||
| 183 | H | 54.4 | Low | 61.1 | Low | 167 Ų | 167 | 119.6 Ų | 119.6 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -112 | 2.6 | -177.4 | -83.3 | -62.9 | 0 | 0 | 0 | 116.4 | ||
| 184 | L | 56.9 | Low | 62 | Low | 174 Ų | 174 | 115.8 Ų | 115.8 | 91% | 0.911 | 61% | 0.606 | S | S | * | * | trans | -140.4 | 18.2 | -170.8 | -79.5 | 154.6 | 0 | 0 | 0 | 115.1 | ||||
| 185 | V | 56.8 | Low | 63.4 | Low | 88 Ų | 88 | 114.7 Ų | 114.7 | 53% | 0.533 | 61% | 0.605 | S | S | . | * | trans | -93.5 | 109.5 | 174.8 | -176.2 | 0 | 0 | 0 | 0 | 109 | G187 L188 | V185-G187 PolarHBondContact O-N 3.41Å; V185-L188 HydrophobicContact CB-CB 4.41Å; V185-L188 WeakPolarHBondContact O-CB 3.06Å; V185-L188 PolarHBondContact O-N 3.47Å | ||
| 186 | K | 62.4 | Low | 64.9 | Low | 219 Ų | 219 | 110.9 Ų | 110.9 | 95% | 0.952 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | 98.5 | 179.3 | -170.3 | 179.7 | -176.2 | -178.7 | 0 | 109.9 | ||
| 187 | G | 65.5 | Low | 66.9 | Low | 39 Ų | 39 | 114.5 Ų | 114.5 | 40% | 0.402 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 127.8 | -12.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | V185 Y190 V191 | V185-G187 PolarHBondContact O-N 3.41Å; G187-Y190 WeakPolarHBondContact O-CB 3.12Å; G187-Y190 PolarHBondContact O-N 3.1Å; G187-Y190 VanDerWaalsContact O-N 3.17Å; G187-V191 WeakPolarHBondContact O-CG2 3.5Å; G187-V191 PolarHBondContact O-N 3.19Å |
| 188 | L | 62.6 | Low | 68.3 | Low | 52 Ų | 52 | 117 Ų | 117 | 27% | 0.272 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.4 | -42.1 | 176.7 | -173.3 | 128.2 | 0 | 0 | 0 | 112.4 | T182 V185 Y190 V191 L192 | T182-L188 HydrophobicContact CG2-CD1 4.06Å; T182-L188 WeakPolarHBondContact O-CD2 3.45Å; V185-L188 HydrophobicContact CB-CB 4.41Å; V185-L188 WeakPolarHBondContact O-CB 3.06Å; V185-L188 PolarHBondContact O-N 3.47Å; L188-Y190 PolarHBondContact O-N 3.09Å; L188-V191 PolarHBondContact O-N 3.45Å; L188-V191 VanDerWaalsContact O-N 3.15Å; L188-L192 WeakPolarHBondContact O-CB 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å |
| 189 | D | 62.2 | Low | 70.1 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 64% | 0.642 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.1 | -36 | 173.8 | -63.8 | -15 | 0 | 0 | 0 | 111.5 | L193 | D189-L193 VanDerWaalsContact O-CB 3.23Å; D189-L193 WeakPolarHBondContact O-CB 3.38Å; D189-L193 WeakPolarHBondContact O-CG 3.34Å; D189-L193 PolarHBondContact O-N 2.88Å |
| 190 | Y | 75.4 | Confident | 71.7 | Confident | 156 Ų | 156 | 111.2 Ų | 111.2 | 61% | 0.612 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71 | -41.9 | 177.4 | -174.8 | -97 | 0 | 0 | 0 | 111.7 | G187 L188 L193 Q194 | G187-Y190 WeakPolarHBondContact O-CB 3.12Å; G187-Y190 PolarHBondContact O-N 3.1Å; G187-Y190 VanDerWaalsContact O-N 3.17Å; L188-Y190 PolarHBondContact O-N 3.09Å; Y190-L193 PolarHBondContact O-N 3.22Å; Y190-Q194 VanDerWaalsContact O-CB 3.29Å; Y190-Q194 WeakPolarHBondContact O-CB 3.5Å; Y190-Q194 PolarHBondContact O-N 3.44Å |
| 191 | V | 76.1 | Confident | 73.1 | Confident | 88 Ų | 88 | 108.8 Ų | 108.8 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 174.9 | 175.3 | 0 | 0 | 0 | 0 | 111 | G187 L188 Q194 K195 | G187-V191 WeakPolarHBondContact O-CG2 3.5Å; G187-V191 PolarHBondContact O-N 3.19Å; L188-V191 PolarHBondContact O-N 3.45Å; L188-V191 VanDerWaalsContact O-N 3.15Å; V191-Q194 PolarHBondContact O-N 2.88Å; V191-K195 WeakPolarHBondContact O-CB 3.38Å; V191-K195 PolarHBondContact O-N 2.88Å |
| 192 | L | 77.4 | Confident | 74.8 | Confident | 94 Ų | 94 | 106.8 Ų | 106.8 | 49% | 0.492 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 177 | -174.4 | 61.6 | 0 | 0 | 0 | 111.2 | L188 Q194 K195 V196 | L188-L192 WeakPolarHBondContact O-CB 3.3Å; L188-L192 PolarHBondContact O-N 3.25Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.91Å; L192-K195 PolarHBondContact O-N 2.94Å; L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 2.9Å |
| 193 | L | 83.8 | Confident | 76.5 | Confident | 97 Ų | 97 | 111 Ų | 111 | 51% | 0.508 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 173.5 | -77.1 | 170.7 | 0 | 0 | 0 | 111.8 | D189 Y190 R197 | D189-L193 VanDerWaalsContact O-CB 3.23Å; D189-L193 WeakPolarHBondContact O-CB 3.38Å; D189-L193 WeakPolarHBondContact O-CG 3.34Å; D189-L193 PolarHBondContact O-N 2.88Å; Y190-L193 PolarHBondContact O-N 3.22Å; L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 3.16Å |
| 194 | Q | 83.4 | Confident | 78 | Confident | 80 Ų | 80 | 108.6 Ų | 108.6 | 37% | 0.374 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 174.7 | -167.7 | 69.6 | 12.7 | 0 | 0 | 111.1 | Y190 V191 L192 R197 L198 | Y190-Q194 VanDerWaalsContact O-CB 3.29Å; Y190-Q194 WeakPolarHBondContact O-CB 3.5Å; Y190-Q194 PolarHBondContact O-N 3.44Å; V191-Q194 PolarHBondContact O-N 2.88Å; L192-Q194 VanDerWaalsContact C-N 3.3Å; L192-Q194 PolarHBondContact O-N 2.91Å; Q194-R197 PolarHBondContact O-N 3.09Å; Q194-L198 HydrophobicContact CG-CD1 4.36Å; Q194-L198 WeakPolarHBondContact O-CB 3.32Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.46Å; Q194-L198 PolarHBondContact O-N 3.39Å |
| 195 | K | 84.6 | Confident | 79.4 | Confident | 141 Ų | 141 | 103.3 Ų | 103.3 | 61% | 0.613 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.2 | -44.1 | 175.7 | -174 | 179.8 | 178.8 | -177 | 0 | 111.8 | V191 L192 L198 E199 | V191-K195 WeakPolarHBondContact O-CB 3.38Å; V191-K195 PolarHBondContact O-N 2.88Å; L192-K195 PolarHBondContact O-N 2.94Å; K195-L198 PolarHBondContact O-N 3.32Å; K195-E199 WeakPolarHBondContact O-CB 3.31Å; K195-E199 PolarHBondContact O-N 3.4Å |
| 196 | V | 87.3 | Confident | 80.7 | Confident | 60 Ų | 60 | 105.1 Ų | 105.1 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L192 E199 I200 | L192-V196 HydrophobicContact CD1-CG2 4.45Å; L192-V196 WeakPolarHBondContact O-CB 3.41Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 2.9Å; V196-E199 PolarHBondContact O-N 2.78Å; V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.45Å; V196-I200 WeakPolarHBondContact O-CB 3.28Å; V196-I200 VanDerWaalsContact O-CG1 3.26Å; V196-I200 WeakPolarHBondContact O-CG1 3.33Å; V196-I200 PolarHBondContact O-N 2.83Å |
| 197 | R | 90.6 | Very high | 81.8 | Confident | 154 Ų | 154 | 97.5 Ų | 97.5 | 58% | 0.581 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 173.2 | -79.3 | 175.4 | 179.3 | 173.2 | -0.3 | 112 | L193 Q194 E199 I200 Q201 | L193-R197 VanDerWaalsContact O-CB 3.29Å; L193-R197 WeakPolarHBondContact O-CB 3.39Å; L193-R197 VanDerWaalsContact O-CG 3.24Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 3.16Å; Q194-R197 PolarHBondContact O-N 3.09Å; R197-E199 VanDerWaalsContact C-N 3.34Å; R197-I200 PolarHBondContact O-N 3.33Å; R197-Q201 VanDerWaalsContact O-CB 3.31Å; R197-Q201 WeakPolarHBondContact O-CB 3.31Å; R197-Q201 PolarHBondContact O-N 3.18Å |
| 198 | L | 86.2 | Confident | 82.5 | Confident | 94 Ų | 94 | 101.8 Ų | 101.8 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 175.7 | -73.9 | 171.8 | 0 | 0 | 0 | 111.6 | Q194 K195 Q201 N202 | Q194-L198 HydrophobicContact CG-CD1 4.36Å; Q194-L198 WeakPolarHBondContact O-CB 3.32Å; Q194-L198 VanDerWaalsContact O-CG 3.27Å; Q194-L198 WeakPolarHBondContact O-CG 3.46Å; Q194-L198 PolarHBondContact O-N 3.39Å; K195-L198 PolarHBondContact O-N 3.32Å; L198-Q201 PolarHBondContact O-N 3.39Å; L198-N202 VanDerWaalsContact O-CB 3.22Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.89Å |
| 199 | E | 86.4 | Confident | 83.5 | Confident | 93 Ų | 93 | 104.7 Ų | 104.7 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.1 | -168.4 | -172.7 | 148.3 | 0 | 0 | 112 | K195 V196 R197 N202 K203 | K195-E199 WeakPolarHBondContact O-CB 3.31Å; K195-E199 PolarHBondContact O-N 3.4Å; V196-E199 PolarHBondContact O-N 2.78Å; R197-E199 VanDerWaalsContact C-N 3.34Å; E199-N202 PolarHBondContact O-N 3.18Å; E199-K203 HydrophobicContact CG-CD 4.48Å; E199-K203 WeakPolarHBondContact O-CB 3.31Å; E199-K203 WeakPolarHBondContact O-CG 2.76Å; E199-K203 PolarHBondContact O-N 3.31Å; E199-K203 IonicContact OE1-NZ 2.72Å; E199-K203 PolarHBondContact OE1-NZ 3.14Å |
| 200 | I | 87.1 | Confident | 84.4 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -47.9 | 174.4 | -68.1 | 166.5 | 0 | 0 | 0 | 110 | V196 R197 N202 K203 E204 | V196-I200 HydrophobicContact CG1-CD1 3.84Å; V196-I200 HydrophobicContact CG1-CG1 4.45Å; V196-I200 WeakPolarHBondContact O-CB 3.28Å; V196-I200 VanDerWaalsContact O-CG1 3.26Å; V196-I200 WeakPolarHBondContact O-CG1 3.33Å; V196-I200 PolarHBondContact O-N 2.83Å; R197-I200 PolarHBondContact O-N 3.33Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 3.47Å; I200-K203 PolarHBondContact O-N 3.37Å; I200-E204 HydrophobicContact CG2-CG 4.48Å; I200-E204 WeakPolarHBondContact O-CG 3.43Å; I200-E204 PolarHBondContact O-N 2.75Å |
| 201 | Q | 89.3 | Confident | 84.4 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 178.6 | -172.8 | -178.6 | -5.5 | 0 | 0 | 111.9 | R197 L198 E204 I205 | R197-Q201 VanDerWaalsContact O-CB 3.31Å; R197-Q201 WeakPolarHBondContact O-CB 3.31Å; R197-Q201 PolarHBondContact O-N 3.18Å; L198-Q201 PolarHBondContact O-N 3.39Å; Q201-E204 PolarHBondContact O-N 3.1Å; Q201-I205 HydrophobicContact CG-CD1 4.13Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 2.69Å |
| 202 | N | 89.3 | Confident | 84.4 | Confident | 104 Ų | 104 | 99.1 Ų | 99.1 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.4 | -36.2 | 178 | -155.2 | 45.7 | 0 | 0 | 0 | 111.6 | L198 E199 I200 I205 E206 | L198-N202 VanDerWaalsContact O-CB 3.22Å; L198-N202 WeakPolarHBondContact O-CB 3.4Å; L198-N202 PolarHBondContact O-N 2.89Å; E199-N202 PolarHBondContact O-N 3.18Å; I200-N202 VanDerWaalsContact C-N 3.32Å; I200-N202 PolarHBondContact O-N 3.47Å; N202-I205 PolarHBondContact O-N 3.12Å; N202-E206 WeakPolarHBondContact O-CB 3.36Å; N202-E206 PolarHBondContact O-N 2.9Å |
| 203 | K | 88 | Confident | 84.3 | Confident | 119 Ų | 119 | 98 Ų | 98 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 171.4 | -79.5 | 171.1 | 173.1 | 163.6 | 0 | 112.5 | E199 I200 A207 | E199-K203 HydrophobicContact CG-CD 4.48Å; E199-K203 WeakPolarHBondContact O-CB 3.31Å; E199-K203 WeakPolarHBondContact O-CG 2.76Å; E199-K203 PolarHBondContact O-N 3.31Å; E199-K203 IonicContact OE1-NZ 2.72Å; E199-K203 PolarHBondContact OE1-NZ 3.14Å; I200-K203 PolarHBondContact O-N 3.37Å; K203-A207 VanDerWaalsContact O-CB 3.25Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.43Å |
| 204 | E | 86 | Confident | 83.7 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.5 | -74.4 | 174.8 | 172 | 0 | 0 | 111 | I200 Q201 A207 E208 | I200-E204 HydrophobicContact CG2-CG 4.48Å; I200-E204 WeakPolarHBondContact O-CG 3.43Å; I200-E204 PolarHBondContact O-N 2.75Å; Q201-E204 PolarHBondContact O-N 3.1Å; E204-A207 PolarHBondContact O-N 2.8Å; E204-E208 WeakPolarHBondContact O-CB 3.26Å; E204-E208 WeakPolarHBondContact O-CG 3.13Å; E204-E208 PolarHBondContact O-N 3.28Å |
| 205 | I | 87.1 | Confident | 82.9 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 32% | 0.323 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 175.4 | -67.5 | 164.9 | 0 | 0 | 0 | 111.3 | Q201 N202 A207 E208 Q209 | Q201-I205 HydrophobicContact CG-CD1 4.13Å; Q201-I205 VanDerWaalsContact O-CG1 3.28Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 2.69Å; N202-I205 PolarHBondContact O-N 3.12Å; I205-A207 VanDerWaalsContact C-N 3.33Å; I205-E208 PolarHBondContact O-N 3.41Å; I205-Q209 HydrophobicContact CG2-CG 4.29Å; I205-Q209 WeakPolarHBondContact O-CB 3.25Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.33Å; I205-Q209 PolarHBondContact O-N 2.82Å |
| 206 | E | 83.8 | Confident | 81.9 | Confident | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.1 | -38.2 | 176.8 | -171.5 | 179.4 | -176.1 | 0 | 0 | 111.4 | N202 Q209 A210 | N202-E206 WeakPolarHBondContact O-CB 3.36Å; N202-E206 PolarHBondContact O-N 2.9Å; E206-Q209 PolarHBondContact O-N 3.48Å; E206-A210 VanDerWaalsContact O-CB 3.26Å; E206-A210 WeakPolarHBondContact O-CB 3.25Å; E206-A210 PolarHBondContact O-N 2.79Å |
| 207 | A | 84.9 | Confident | 80.7 | Confident | 60 Ų | 60 | 103.4 Ų | 103.4 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K203 E204 I205 A210 L211 | K203-A207 VanDerWaalsContact O-CB 3.25Å; K203-A207 WeakPolarHBondContact O-CB 3.33Å; K203-A207 PolarHBondContact O-N 3.43Å; E204-A207 PolarHBondContact O-N 2.8Å; I205-A207 VanDerWaalsContact C-N 3.33Å; A207-A210 PolarHBondContact O-N 2.92Å; A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.35Å |
| 208 | E | 81.2 | Confident | 78.7 | Confident | 129 Ų | 129 | 101.1 Ų | 101.1 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64 | -43 | 173.5 | -76.4 | -178.6 | 177 | 0 | 0 | 111.3 | E204 I205 L211 D212 | E204-E208 WeakPolarHBondContact O-CB 3.26Å; E204-E208 WeakPolarHBondContact O-CG 3.13Å; E204-E208 PolarHBondContact O-N 3.28Å; I205-E208 PolarHBondContact O-N 3.41Å; E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 2.83Å; E208-D212 WeakPolarHBondContact O-CB 3.26Å; E208-D212 PolarHBondContact O-N 2.91Å |
| 209 | Q | 82.8 | Confident | 76.7 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 174.9 | -74.9 | 178.3 | 7.8 | 0 | 0 | 112.1 | I205 E206 L211 D212 I213 | I205-Q209 HydrophobicContact CG2-CG 4.29Å; I205-Q209 WeakPolarHBondContact O-CB 3.25Å; I205-Q209 VanDerWaalsContact O-CG 3.25Å; I205-Q209 WeakPolarHBondContact O-CG 3.33Å; I205-Q209 PolarHBondContact O-N 2.82Å; E206-Q209 PolarHBondContact O-N 3.48Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; Q209-D212 PolarHBondContact O-N 2.87Å; Q209-I213 WeakPolarHBondContact O-CB 3.5Å; Q209-I213 WeakPolarHBondContact O-CD1 3.36Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 2.92Å |
| 210 | A | 81.5 | Confident | 74.7 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E206 A207 I213 E214 | E206-A210 VanDerWaalsContact O-CB 3.26Å; E206-A210 WeakPolarHBondContact O-CB 3.25Å; E206-A210 PolarHBondContact O-N 2.79Å; A207-A210 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 3.32Å; A210-E214 WeakPolarHBondContact O-CB 3.4Å; A210-E214 PolarHBondContact O-N 2.87Å |
| 211 | L | 76.5 | Confident | 72.9 | Confident | 105 Ų | 105 | 109.9 Ų | 109.9 | 55% | 0.55 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66 | -42 | 174.8 | -164 | 113.2 | 0 | 0 | 0 | 111.4 | A207 E208 Q209 E214 L215 | A207-L211 WeakPolarHBondContact O-CB 3.43Å; A207-L211 PolarHBondContact O-N 3.35Å; E208-L211 WeakPolarHBondContact O-CB 3.28Å; E208-L211 PolarHBondContact O-N 2.83Å; Q209-L211 VanDerWaalsContact C-N 3.34Å; L211-E214 CarbonylContact O-C 3.58Å; L211-E214 PolarHBondContact O-N 3.29Å; L211-E214 VanDerWaalsContact O-N 3.17Å; L211-L215 HydrophobicContact CD2-CD1 3.57Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CD1 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.23Å |
| 212 | D | 75.3 | Confident | 70.8 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 47% | 0.465 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.2 | -36.7 | 175.2 | -86.5 | -8.1 | 0 | 0 | 0 | 112.1 | E208 Q209 E214 L215 N216 | E208-D212 WeakPolarHBondContact O-CB 3.26Å; E208-D212 PolarHBondContact O-N 2.91Å; Q209-D212 PolarHBondContact O-N 2.87Å; D212-E214 VanDerWaalsContact C-N 3.3Å; D212-L215 PolarHBondContact O-N 3.46Å; D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.28Å; D212-N216 PolarHBondContact O-N 2.99Å; D212-N216 PolarHBondContact O-ND2 2.83Å |
| 213 | I | 76.1 | Confident | 68.6 | Low | 69 Ų | 69 | 113.6 Ų | 113.6 | 35% | 0.354 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.3 | -35 | 171.9 | -70.9 | 161.9 | 0 | 0 | 0 | 110.2 | Q209 A210 K217 | Q209-I213 WeakPolarHBondContact O-CB 3.5Å; Q209-I213 WeakPolarHBondContact O-CD1 3.36Å; Q209-I213 WeakPolarHBondContact O-CG1 3.31Å; Q209-I213 PolarHBondContact O-N 2.92Å; A210-I213 PolarHBondContact O-N 3.32Å; I213-K217 VanDerWaalsContact O-CG 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.16Å; I213-K217 PolarHBondContact O-N 3.41Å; I213-K217 VanDerWaalsContact O-N 3.12Å |
| 214 | E | 70.7 | Confident | 66.5 | Low | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.542 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -72.2 | -35.5 | 176 | -166.4 | 162 | -169.8 | 0 | 0 | 112.6 | A210 L211 D212 | A210-E214 WeakPolarHBondContact O-CB 3.4Å; A210-E214 PolarHBondContact O-N 2.87Å; L211-E214 CarbonylContact O-C 3.58Å; L211-E214 PolarHBondContact O-N 3.29Å; L211-E214 VanDerWaalsContact O-N 3.17Å; D212-E214 VanDerWaalsContact C-N 3.3Å |
| 215 | L | 66 | Low | 64.5 | Low | 123 Ų | 123 | 108.4 Ų | 108.4 | 64% | 0.644 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -77.3 | -32.2 | 174.8 | -73.8 | 161.8 | 0 | 0 | 0 | 113.3 | L211 D212 | L211-L215 HydrophobicContact CD2-CD1 3.57Å; L211-L215 HydrophobicContact CG-CD1 4.06Å; L211-L215 WeakPolarHBondContact O-CB 3.29Å; L211-L215 WeakPolarHBondContact O-CD1 3.27Å; L211-L215 VanDerWaalsContact O-CG 3.3Å; L211-L215 WeakPolarHBondContact O-CG 3.45Å; L211-L215 PolarHBondContact O-N 3.23Å; D212-L215 PolarHBondContact O-N 3.46Å |
| 216 | N | 64.5 | Low | 62.3 | Low | 128 Ų | 128 | 113 Ų | 113 | 68% | 0.684 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -90.7 | -3.7 | 178.9 | -72.9 | -55.8 | 0 | 0 | 0 | 114 | D212 P218 | D212-N216 WeakPolarHBondContact O-CB 3.29Å; D212-N216 VanDerWaalsContact O-CG 3.28Å; D212-N216 PolarHBondContact O-N 2.99Å; D212-N216 PolarHBondContact O-ND2 2.83Å; N216-P218 WeakPolarHBondContact O-CD 3.23Å |
| 217 | K | 60.3 | Low | 60.3 | Low | 125 Ų | 125 | 114.1 Ų | 114.1 | 54% | 0.543 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -59.7 | 120.3 | 163.2 | -85.9 | 162.6 | -166.7 | 166.4 | 0 | 106.5 | I213 D219 | I213-K217 VanDerWaalsContact O-CG 3.29Å; I213-K217 WeakPolarHBondContact O-CG 3.16Å; I213-K217 PolarHBondContact O-N 3.41Å; I213-K217 VanDerWaalsContact O-N 3.12Å; K217-D219 PolarHBondContact O-N 3.48Å |
| 218 | P | 48.7 | Very low | 58.8 | Low | 107 Ų | 107 | 118 Ų | 118 | 70% | 0.695 | 60% | 0.603 | S | S | * | * | trans | -59.1 | 124.1 | 178.1 | 25.7 | -32.6 | 0 | 0 | 0 | 106.9 | N216 R220 | N216-P218 WeakPolarHBondContact O-CD 3.23Å; P218-R220 PolarHBondContact O-N 3.47Å | ||
| 219 | D | 44.7 | Very low | 57.3 | Low | 84 Ų | 84 | 120.8 Ų | 120.8 | 45% | 0.449 | 62% | 0.616 | S | S | . | * | trans | -69.3 | 43.9 | -172.3 | -126.7 | 11.4 | 0 | 0 | 0 | 112.6 | K217 M221 K222 | K217-D219 PolarHBondContact O-N 3.48Å; D219-M221 PolarHBondContact O-N 2.91Å; D219-M221 VanDerWaalsContact O-N 3.14Å; D219-K222 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 220 | R | 45.7 | Very low | 56.3 | Low | 196 Ų | 196 | 117.8 Ų | 117.8 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 5.6 | 174.1 | -71.7 | -160.3 | 169.9 | -152 | -2.3 | 113.2 | P218 | P218-R220 PolarHBondContact O-N 3.47Š|
| 221 | M | 48.3 | Very low | 55.9 | Low | 178 Ų | 178 | 120.9 Ų | 120.9 | 88% | 0.877 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 10.4 | 175.5 | -73.9 | -176.3 | 151.9 | 0 | 0 | 114.3 | D219 | D219-M221 PolarHBondContact O-N 2.91Å; D219-M221 VanDerWaalsContact O-N 3.14Å |
| 222 | K | 45.7 | Very low | 56.2 | Low | 121 Ų | 121 | 124.8 Ų | 124.8 | 53% | 0.526 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.3 | -5.3 | -179.6 | -104.2 | 179.2 | -172 | 179.4 | 0 | 115.5 | D219 S224 A225 | D219-K222 WeakPolarHBondContact OD1-CB 3.41Å; K222-S224 PolarHBondContact O-N 3.45Å; K222-A225 PolarHBondContact O-N 2.91Å |
| 223 | E | 42.7 | Very low | 56.7 | Low | 167 Ų | 167 | 124.4 Ų | 124.4 | 78% | 0.78 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -2.7 | 162.4 | -80.8 | -176.5 | 163 | 0 | 0 | 113.8 | ||
| 224 | S | 43.5 | Very low | 57.3 | Low | 84 Ų | 84 | 133.1 Ų | 133.1 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -17.5 | 169.9 | -25.7 | 0 | 0 | 0 | 0 | 113.5 | K222 | K222-S224 PolarHBondContact O-N 3.45Š|
| 225 | A | 44.8 | Very low | 58.4 | Low | 42 Ų | 42 | 131.2 Ų | 131.2 | 35% | 0.347 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.4 | -9.6 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K222 | K222-A225 PolarHBondContact O-N 2.91Š|
| 226 | N | 40 | Very low | 59.6 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 11.2 | 178 | -97.2 | -9.9 | 0 | 0 | 0 | 114.6 | ||
| 227 | N | 43.1 | Very low | 61 | Low | 148 Ų | 148 | 131.9 Ų | 131.9 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 19.1 | 161.7 | -75.7 | -34.5 | 0 | 0 | 0 | 111.8 | E229 | N227-E229 PolarHBondContact O-N 3.34Å; N227-E229 VanDerWaalsContact O-N 3.11Å |
| 228 | E | 51.8 | Low | 62.5 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 66% | 0.659 | 65% | 0.645 | S | S | * | * | trans | -84.1 | 53.6 | 174.4 | -63.3 | -174.7 | -171.5 | 0 | 0 | 111.8 | G230 | E228-G230 PolarHBondContact O-N 2.81Š| ||
| 229 | E | 51.1 | Low | 64.5 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 88% | 0.879 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -70.1 | 80.8 | 132.2 | -79.8 | -169.9 | 172.2 | 0 | 0 | 104.6 | N227 I231 | N227-E229 PolarHBondContact O-N 3.34Å; N227-E229 VanDerWaalsContact O-N 3.11Å; E229-I231 PolarHBondContact O-N 3.34Å |
| 230 | G | 60.8 | Low | 66.7 | Low | 51 Ų | 51 | 123 Ų | 123 | 53% | 0.526 | 62% | 0.618 | S | S | . | * | trans | -45.3 | 111.8 | -164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E228 Q232 | E228-G230 PolarHBondContact O-N 2.81Å; G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 2.89Å | ||
| 231 | I | 74.4 | Confident | 69 | Low | 119 Ų | 119 | 118 Ų | 118 | 61% | 0.61 | 60% | 0.604 | S | S | * | * | trans | -60 | 103.2 | 174.4 | -61.9 | 168.7 | 0 | 0 | 0 | 106 | E229 F233 | E229-I231 PolarHBondContact O-N 3.34Å; I231-F233 HydrophobicContact CB-CE1 4.3Å; I231-F233 HydrophobicContact CB-CE2 4.35Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.04Å; I231-F233 HydrophobicContact CG2-CE1 3.44Å; I231-F233 VanDerWaalsContact CG2-CE1 3.44Å; I231-F233 HydrophobicContact CG2-CE2 4.26Å; I231-F233 HydrophobicContact CG2-CZ 3.55Å; I231-F233 WeakPolarHBondContact O-CD2 3.46Å; I231-F233 VanDerWaalsContact O-CE2 3.28Å; I231-F233 WeakPolarHBondContact O-CE2 3.36Å; I231-F233 PolarHBondContact O-N 2.86Å | ||
| 232 | Q | 81.5 | Confident | 70.9 | Confident | 187 Ų | 187 | 110.5 Ų | 110.5 | 87% | 0.874 | 57% | 0.569 | S | S | * | * | trans | -77.1 | 109.5 | 177.1 | -69.3 | -172.1 | -11.2 | 0 | 0 | 108.2 | G230 | G230-Q232 VanDerWaalsContact C-N 3.33Å; G230-Q232 PolarHBondContact O-N 2.89Å | ||
| 233 | F | 85.8 | Confident | 72.9 | Confident | 80 Ų | 80 | 108 Ų | 108 | 35% | 0.351 | 56% | 0.562 | S | S | . | * | trans | -81.3 | 122.1 | 174.9 | -56.1 | -74.6 | 0 | 0 | 0 | 109.9 | I231 T235 A238 A239 C242 | I231-F233 HydrophobicContact CB-CE1 4.3Å; I231-F233 HydrophobicContact CB-CE2 4.35Å; I231-F233 HydrophobicContact CB-CZ 3.89Å; I231-F233 HydrophobicContact CG2-CD1 4.04Å; I231-F233 HydrophobicContact CG2-CE1 3.44Å; I231-F233 VanDerWaalsContact CG2-CE1 3.44Å; I231-F233 HydrophobicContact CG2-CE2 4.26Å; I231-F233 HydrophobicContact CG2-CZ 3.55Å; I231-F233 WeakPolarHBondContact O-CD2 3.46Å; I231-F233 VanDerWaalsContact O-CE2 3.28Å; I231-F233 WeakPolarHBondContact O-CE2 3.36Å; I231-F233 PolarHBondContact O-N 2.86Å; F233-T235 PolarHBondContact O-N 3.43Å; F233-A238 HydrophobicContact CB-CB 4.41Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; F233-A239 HydrophobicContact CB-CB 3.82Å; F233-A239 HydrophobicContact CD2-CB 3.61Å; F233-A239 HydrophobicContact CE2-CB 4.39Å; F233-A239 HydrophobicContact CG-CB 3.74Å; F233-C242 HydrophobicContact CD1-CB 4.48Å; F233-C242 HydrophobicContact CE1-CB 3.48Å; F233-C242 VanDerWaalsContact CE1-CB 3.48Å; F233-C242 HydrophobicContact CE2-CB 4.24Å; F233-C242 HydrophobicContact CZ-CB 3.36Å; F233-C242 WeakPolarHBondContact CZ-SG 3.39Å | ||
| 234 | R | 89.8 | Confident | 75.1 | Confident | 251 Ų | 251 | 103.6 Ų | 103.6 | 95% | 0.947 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -67 | -25.7 | 173.2 | -70.5 | -174.2 | 175.3 | -177.1 | -2 | 113.3 | ||
| 235 | T | 93.5 | Very high | 77.3 | Confident | 77 Ų | 77 | 104.8 Ų | 104.8 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -128.5 | 140.6 | -175.3 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | F233 L237 A238 A239 | F233-T235 PolarHBondContact O-N 3.43Å; T235-L237 PolarHBondContact O-N 2.86Å; T235-A238 PolarHBondContact O-N 3.44Å; T235-A238 VanDerWaalsContact O-N 3.12Å; T235-A238 WeakPolarHBondContact OG1-CB 3.28Å; T235-A238 PolarHBondContact OG1-N 3.37Å; T235-A239 PolarHBondContact O-N 3.23Å |
| 236 | H | 90.4 | Very high | 79.2 | Confident | 146 Ų | 146 | 110.1 Ų | 110.1 | 68% | 0.676 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.7 | -32 | 175.1 | -165 | -59.9 | 0 | 0 | 0 | 112.4 | A239 N240 | H236-A239 PolarHBondContact O-N 3.03Å; H236-N240 PolarHBondContact CE1-ND2 3.05Å; H236-N240 PolarHBondContact CE1-OD1 3.49Å; H236-N240 PolarHBondContact ND1-ND2 2.93Å; H236-N240 VanDerWaalsContact ND1-ND2 3.13Å; H236-N240 PolarHBondContact ND1-OD1 3.5Å; H236-N240 VanDerWaalsContact O-CG 3.28Å; H236-N240 PolarHBondContact O-N 3.47Å; H236-N240 PolarHBondContact O-OD1 3.31Å |
| 237 | L | 94.5 | Very high | 81.1 | Confident | 119 Ų | 119 | 107.6 Ų | 107.6 | 62% | 0.623 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 175 | -176.2 | 153.6 | 0 | 0 | 0 | 111.4 | T235 A239 N240 I241 | T235-L237 PolarHBondContact O-N 2.86Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.27Å; L237-N240 PolarHBondContact O-N 2.84Å; L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.13Å; L237-I241 HydrophobicContact CG-CD1 4.38Å; L237-I241 WeakPolarHBondContact O-CG1 3.43Å; L237-I241 PolarHBondContact O-N 3.17Å |
| 238 | A | 92.4 | Very high | 82.9 | Confident | 34 Ų | 34 | 106.3 Ų | 106.3 | 28% | 0.281 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F233 T235 I241 C242 | F233-A238 HydrophobicContact CB-CB 4.41Å; F233-A238 HydrophobicContact CD1-CB 4.01Å; T235-A238 PolarHBondContact O-N 3.44Å; T235-A238 VanDerWaalsContact O-N 3.12Å; T235-A238 WeakPolarHBondContact OG1-CB 3.28Å; T235-A238 PolarHBondContact OG1-N 3.37Å; A238-I241 PolarHBondContact O-N 2.86Å; A238-C242 WeakPolarHBondContact O-CB 3.29Å; A238-C242 PolarHBondContact O-N 3.38Å |
| 239 | A | 89.8 | Confident | 84.2 | Confident | 21 Ų | 21 | 109.3 Ų | 109.3 | 17% | 0.174 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F233 T235 H236 L237 C242 N243 | F233-A239 HydrophobicContact CB-CB 3.82Å; F233-A239 HydrophobicContact CD2-CB 3.61Å; F233-A239 HydrophobicContact CE2-CB 4.39Å; F233-A239 HydrophobicContact CG-CB 3.74Å; T235-A239 PolarHBondContact O-N 3.23Å; H236-A239 PolarHBondContact O-N 3.03Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.27Å; A239-C242 PolarHBondContact O-N 3.09Å; A239-N243 WeakPolarHBondContact O-CB 3.45Å; A239-N243 VanDerWaalsContact O-CG 3.27Å; A239-N243 PolarHBondContact O-N 2.88Å; A239-N243 PolarHBondContact O-ND2 3.31Å |
| 240 | N | 91.6 | Very high | 85.4 | Confident | 75 Ų | 75 | 107.6 Ų | 107.6 | 40% | 0.401 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.6 | -71.9 | -4.4 | 0 | 0 | 0 | 112.2 | H236 L237 C242 N243 V244 | H236-N240 PolarHBondContact CE1-ND2 3.05Å; H236-N240 PolarHBondContact CE1-OD1 3.49Å; H236-N240 PolarHBondContact ND1-ND2 2.93Å; H236-N240 VanDerWaalsContact ND1-ND2 3.13Å; H236-N240 PolarHBondContact ND1-OD1 3.5Å; H236-N240 VanDerWaalsContact O-CG 3.28Å; H236-N240 PolarHBondContact O-N 3.47Å; H236-N240 PolarHBondContact O-OD1 3.31Å; L237-N240 PolarHBondContact O-N 2.84Å; N240-C242 VanDerWaalsContact C-N 3.29Å; N240-C242 PolarHBondContact O-N 3.28Å; N240-N243 PolarHBondContact O-N 3.43Å; N240-V244 WeakPolarHBondContact O-CG2 3.46Å; N240-V244 PolarHBondContact O-N 3.1Å |
| 241 | I | 92.6 | Very high | 86.4 | Confident | 89 Ų | 89 | 110.9 Ų | 110.9 | 46% | 0.456 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 175.8 | -70.2 | 179.1 | 0 | 0 | 0 | 110.3 | L237 A238 N243 V244 I245 | L237-I241 HydrophobicContact CD2-CD1 3.39Å; L237-I241 HydrophobicContact CD2-CG1 4.13Å; L237-I241 HydrophobicContact CG-CD1 4.38Å; L237-I241 WeakPolarHBondContact O-CG1 3.43Å; L237-I241 PolarHBondContact O-N 3.17Å; A238-I241 PolarHBondContact O-N 2.86Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.39Å; I241-V244 PolarHBondContact O-N 3.13Å; I241-I245 HydrophobicContact CG2-CD1 3.54Å; I241-I245 HydrophobicContact CG2-CG1 4.31Å; I241-I245 WeakPolarHBondContact O-CB 3.35Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.07Å |
| 242 | C | 89.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 114.5 Ų | 114.5 | 14% | 0.142 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -64 | -41.3 | 177.8 | -165.7 | 0 | 0 | 0 | 0 | 111.5 | F233 A238 A239 N240 I245 F246 | F233-C242 HydrophobicContact CD1-CB 4.48Å; F233-C242 HydrophobicContact CE1-CB 3.48Å; F233-C242 VanDerWaalsContact CE1-CB 3.48Å; F233-C242 HydrophobicContact CE2-CB 4.24Å; F233-C242 HydrophobicContact CZ-CB 3.36Å; F233-C242 WeakPolarHBondContact CZ-SG 3.39Å; A238-C242 WeakPolarHBondContact O-CB 3.29Å; A238-C242 PolarHBondContact O-N 3.38Å; A239-C242 PolarHBondContact O-N 3.09Å; N240-C242 VanDerWaalsContact C-N 3.29Å; N240-C242 PolarHBondContact O-N 3.28Å; C242-I245 PolarHBondContact O-N 3.09Å; C242-F246 HydrophobicContact CB-CD2 4.37Å; C242-F246 WeakPolarHBondContact O-CB 3.39Å; C242-F246 WeakPolarHBondContact O-CD2 3.22Å; C242-F246 PolarHBondContact O-N 3.24Å; C242-F246 WeakPolarHBondContact SG-CD2 3.25Å |
| 243 | N | 88.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 113.6 Ų | 113.6 | 37% | 0.369 | 55% | 0.553 | S | S | . | * | I | π-helix | trans | -61.6 | -47.3 | 175.3 | -74.3 | -20.8 | 0 | 0 | 0 | 111.8 | A239 N240 I241 I245 N247 E248 | A239-N243 WeakPolarHBondContact O-CB 3.45Å; A239-N243 VanDerWaalsContact O-CG 3.27Å; A239-N243 PolarHBondContact O-N 2.88Å; A239-N243 PolarHBondContact O-ND2 3.31Å; N240-N243 PolarHBondContact O-N 3.43Å; I241-N243 VanDerWaalsContact C-N 3.34Å; I241-N243 PolarHBondContact O-N 3.39Å; N243-I245 PolarHBondContact O-N 3.2Å; N243-N247 CarbonylContact O-C 3.47Å; N243-N247 VanDerWaalsContact O-CA 3.31Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.32Å; N243-N247 PolarHBondContact O-N 2.82Å; N243-N247 PolarHBondContact OD1-ND2 2.72Å; N243-E248 PolarHBondContact O-N 2.97Å |
| 244 | V | 88.5 | Confident | 86.9 | Confident | 75 Ų | 75 | 113.2 Ų | 113.2 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | I | π-helix | trans | -65.5 | -37.6 | 179.9 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | N240 I241 | N240-V244 WeakPolarHBondContact O-CG2 3.46Å; N240-V244 PolarHBondContact O-N 3.1Å; I241-V244 PolarHBondContact O-N 3.13Å |
| 245 | I | 88.3 | Confident | 86.8 | Confident | 109 Ų | 109 | 105.2 Ų | 105.2 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | I | π-helix | trans | -79.3 | -42.8 | -177.1 | -67.4 | 174.8 | 0 | 0 | 0 | 112.1 | I241 C242 N243 | I241-I245 HydrophobicContact CG2-CD1 3.54Å; I241-I245 HydrophobicContact CG2-CG1 4.31Å; I241-I245 WeakPolarHBondContact O-CB 3.35Å; I241-I245 VanDerWaalsContact O-CG1 3.28Å; I241-I245 WeakPolarHBondContact O-CG1 3.34Å; I241-I245 PolarHBondContact O-N 3.07Å; C242-I245 PolarHBondContact O-N 3.09Å; N243-I245 PolarHBondContact O-N 3.2Å |
| 246 | F | 86.2 | Confident | 86.6 | Confident | 153 Ų | 153 | 106.5 Ų | 106.5 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | I | π-helix | trans | -106.8 | -30.4 | -168.3 | -61 | -76.3 | 0 | 0 | 0 | 113.6 | C242 | C242-F246 HydrophobicContact CB-CD2 4.37Å; C242-F246 WeakPolarHBondContact O-CB 3.39Å; C242-F246 WeakPolarHBondContact O-CD2 3.22Å; C242-F246 PolarHBondContact O-N 3.24Å; C242-F246 WeakPolarHBondContact SG-CD2 3.25Å |
| 247 | N | 79.4 | Confident | 86.6 | Confident | 107 Ų | 107 | 105.6 Ų | 105.6 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | I | π-helix | trans | -101.2 | -30.3 | -174.6 | -61.9 | -20.5 | 0 | 0 | 0 | 112.4 | N243 R249 | N243-N247 CarbonylContact O-C 3.47Å; N243-N247 VanDerWaalsContact O-CA 3.31Å; N243-N247 WeakPolarHBondContact O-CA 3.34Å; N243-N247 VanDerWaalsContact O-CB 3.28Å; N243-N247 WeakPolarHBondContact O-CB 3.32Å; N243-N247 PolarHBondContact O-N 2.82Å; N243-N247 PolarHBondContact OD1-ND2 2.72Å; N247-R249 PolarHBondContact O-N 3.42Å |
| 248 | E | 80.5 | Confident | 86.1 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -79.1 | 115.1 | 173.7 | -68.6 | -174 | 173.5 | 0 | 0 | 110.9 | N243 L250 | N243-E248 PolarHBondContact O-N 2.97Å; E248-L250 PolarHBondContact O-N 2.81Å |
| 249 | R | 78.6 | Confident | 85.8 | Confident | 203 Ų | 203 | 104.4 Ų | 104.4 | 77% | 0.766 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 118.2 | 166.5 | -71.1 | -174.8 | -179.8 | 137.4 | 4.9 | 108.1 | N247 | N247-R249 PolarHBondContact O-N 3.42Š|
| 250 | L | 78.2 | Confident | 85.7 | Confident | 153 Ų | 153 | 104.7 Ų | 104.7 | 80% | 0.801 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 138.9 | 170.9 | -63.1 | 174.2 | 0 | 0 | 0 | 109.8 | E248 E252 | E248-L250 PolarHBondContact O-N 2.81Å; L250-E252 PolarHBondContact O-N 3.22Å |
| 251 | P | 80.4 | Confident | 85.6 | Confident | 119 Ų | 119 | 102 Ų | 102 | 77% | 0.773 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 135.8 | -179.6 | 23 | -32.3 | 0 | 0 | 0 | 110.3 | R253 | P251-R253 PolarHBondContact O-N 3.44Å; P251-R253 VanDerWaalsContact O-N 3.09Å |
| 252 | E | 82.2 | Confident | 85.7 | Confident | 195 Ų | 195 | 100.1 Ų | 100.1 | 91% | 0.911 | 49% | 0.487 | S | S | * | . | trans | -62.1 | 114.2 | 178.9 | -171.7 | 176.9 | 175.4 | 0 | 0 | 109.4 | L250 N254 | L250-E252 PolarHBondContact O-N 3.22Å; E252-N254 PolarHBondContact O-N 3.15Å | ||
| 253 | R | 83.7 | Confident | 85.8 | Confident | 169 Ų | 169 | 101 Ų | 101 | 64% | 0.638 | 50% | 0.496 | S | S | * | . | trans | -73 | 115.3 | -179.9 | -173.2 | 174.4 | 177.2 | -178.4 | -4.2 | 109 | P251 E255 | P251-R253 PolarHBondContact O-N 3.44Å; P251-R253 VanDerWaalsContact O-N 3.09Å; R253-E255 PolarHBondContact O-N 3.39Å; R253-E255 VanDerWaalsContact O-N 3.14Å | ||
| 254 | N | 87.3 | Confident | 86 | Confident | 71 Ų | 71 | 104.4 Ų | 104.4 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | trans | -57.7 | 122 | 176.3 | 177 | 6.5 | 0 | 0 | 0 | 110.3 | E252 Y256 F257 | E252-N254 PolarHBondContact O-N 3.15Å; N254-Y256 PolarHBondContact O-N 3.26Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.42Å; N254-Y256 PolarHBondContact OD1-N 3.15Å; N254-Y256 VanDerWaalsContact OD1-N 3.09Å; N254-F257 HydrophobicContact CB-CD2 3.65Å; N254-F257 HydrophobicContact CB-CE2 3.85Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.29Å; N254-F257 PolarHBondContact O-N 3.44Å; N254-F257 VanDerWaalsContact O-N 3.1Å | ||
| 255 | E | 87.4 | Confident | 86.1 | Confident | 83 Ų | 83 | 107.7 Ų | 107.7 | 39% | 0.388 | 51% | 0.509 | S | S | . | . | G | 310 helix | trans | -56.7 | -30.5 | -177.9 | -82.6 | -159.6 | 173.3 | 0 | 0 | 114.3 | R253 F257 Q258 R261 K285 | R253-E255 PolarHBondContact O-N 3.39Å; R253-E255 VanDerWaalsContact O-N 3.14Å; E255-F257 PolarHBondContact O-N 2.85Å; E255-Q258 WeakPolarHBondContact O-CB 3.46Å; E255-Q258 VanDerWaalsContact O-CG 3.31Å; E255-Q258 WeakPolarHBondContact O-CG 3.43Å; E255-Q258 PolarHBondContact O-N 3.01Å; E255-R261 VanDerWaalsContact O-CD 3.31Å; E255-R261 WeakPolarHBondContact O-CD 3.37Å; E255-R261 PolarHBondContact O-NH1 2.8Å; E255-R261 IonicContact OE2-CZ 3.37Å; E255-R261 IonicContact OE2-NH1 3.1Å; E255-R261 PolarHBondContact OE2-NH1 3.18Å; E255-R261 VanDerWaalsContact OE2-NH1 3.1Å; E255-R261 IonicContact OE2-NH2 2.75Å; E255-R261 PolarHBondContact OE2-NH2 3.17Å; E255-K285 VanDerWaalsContact CD-CE 3.49Å; E255-K285 IonicContact OE1-NZ 2.69Å; E255-K285 PolarHBondContact OE1-NZ 2.97Å; E255-K285 WeakPolarHBondContact OE2-CE 3.5Å; E255-K285 IonicContact OE2-NZ 2.83Å; E255-K285 PolarHBondContact OE2-NZ 3.2Å |
| 256 | Y | 89.6 | Confident | 86.2 | Confident | 104 Ų | 104 | 107 Ų | 107 | 41% | 0.408 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -68.8 | -19.6 | 179.4 | -60.4 | -51.5 | 0 | 0 | 0 | 113.6 | N254 Q258 R261 M262 I282 | N254-Y256 PolarHBondContact O-N 3.26Å; N254-Y256 WeakPolarHBondContact OD1-CD2 3.42Å; N254-Y256 PolarHBondContact OD1-N 3.15Å; N254-Y256 VanDerWaalsContact OD1-N 3.09Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 2.92Å; Y256-R261 HydrophobicContact CD1-CG 4.5Å; Y256-M262 VanDerWaalsContact O-CB 3.25Å; Y256-M262 WeakPolarHBondContact O-CB 3.4Å; Y256-M262 PolarHBondContact O-N 3.37Å; Y256-I282 HydrophobicContact CD1-CD1 4.25Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 4.11Å; Y256-I282 HydrophobicContact CE1-CG2 3.85Å |
| 257 | F | 88.8 | Confident | 86.1 | Confident | 127 Ų | 127 | 104.4 Ų | 104.4 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -88.1 | 12.2 | 175 | -57 | -51.9 | 0 | 0 | 0 | 113.2 | N254 E255 M262 | N254-F257 HydrophobicContact CB-CD2 3.65Å; N254-F257 HydrophobicContact CB-CE2 3.85Å; N254-F257 WeakPolarHBondContact ND2-CE2 3.29Å; N254-F257 PolarHBondContact O-N 3.44Å; N254-F257 VanDerWaalsContact O-N 3.1Å; E255-F257 PolarHBondContact O-N 2.85Å; F257-M262 HydrophobicContact CD1-CE 3.78Å; F257-M262 HydrophobicContact CE1-CE 3.4Å; F257-M262 HydrophobicContact CZ-CE 4.42Å |
| 258 | Q | 85.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 106.1 Ų | 106.1 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -62.6 | 139.2 | 163.7 | -74.3 | 177.7 | -23.2 | 0 | 0 | 109.3 | E255 Y256 G260 R261 | E255-Q258 WeakPolarHBondContact O-CB 3.46Å; E255-Q258 VanDerWaalsContact O-CG 3.31Å; E255-Q258 WeakPolarHBondContact O-CG 3.43Å; E255-Q258 PolarHBondContact O-N 3.01Å; Y256-Q258 VanDerWaalsContact C-N 3.26Å; Y256-Q258 PolarHBondContact O-N 2.92Å; Q258-G260 PolarHBondContact O-N 2.86Å; Q258-G260 VanDerWaalsContact O-N 3.16Å; Q258-R261 HydrophobicContact CB-CB 4.04Å; Q258-R261 WeakPolarHBondContact O-CB 3.27Å; Q258-R261 PolarHBondContact O-N 3.26Å |
| 259 | P | 86.5 | Confident | 86.4 | Confident | 46 Ų | 46 | 109.7 Ų | 109.7 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 124.7 | -179.8 | -28.7 | 35.5 | 0 | 0 | 0 | 111.9 | R261 I291 D292 | P259-R261 VanDerWaalsContact C-N 3.3Å; P259-R261 PolarHBondContact O-N 3.1Å; P259-I291 HydrophobicContact CB-CB 4.46Å; P259-D292 WeakPolarHBondContact CG-OD2 3.35Å |
| 260 | G | 86.9 | Confident | 86.3 | Confident | 27 Ų | 27 | 104.7 Ų | 104.7 | 28% | 0.278 | 51% | 0.509 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q258 R283 C288 | Q258-G260 PolarHBondContact O-N 2.86Å; Q258-G260 VanDerWaalsContact O-N 3.16Å; G260-R283 PolarHBondContact O-NE 3.33Å; G260-R283 PolarHBondContact O-NH2 2.84Å; G260-C288 PolarHBondContact O-SG 3.49Å; G260-C288 VanDerWaalsContact O-SG 3.33Å |
| 261 | R | 90.5 | Very high | 86 | Confident | 19 Ų | 19 | 105.3 Ų | 105.3 | 7% | 0.072 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -44.4 | 178.9 | -171.5 | 149.1 | 168.6 | -159.8 | -7.2 | 113.4 | E255 Y256 Q258 P259 I282 R283 K285 C288 | E255-R261 VanDerWaalsContact O-CD 3.31Å; E255-R261 WeakPolarHBondContact O-CD 3.37Å; E255-R261 PolarHBondContact O-NH1 2.8Å; E255-R261 IonicContact OE2-CZ 3.37Å; E255-R261 IonicContact OE2-NH1 3.1Å; E255-R261 PolarHBondContact OE2-NH1 3.18Å; E255-R261 VanDerWaalsContact OE2-NH1 3.1Å; E255-R261 IonicContact OE2-NH2 2.75Å; E255-R261 PolarHBondContact OE2-NH2 3.17Å; Y256-R261 HydrophobicContact CD1-CG 4.5Å; Q258-R261 HydrophobicContact CB-CB 4.04Å; Q258-R261 WeakPolarHBondContact O-CB 3.27Å; Q258-R261 PolarHBondContact O-N 3.26Å; P259-R261 VanDerWaalsContact C-N 3.3Å; P259-R261 PolarHBondContact O-N 3.1Å; R261-I282 HydrophobicContact CG-CG2 4.5Å; R261-I282 CarbonylContact O-C 3.6Å; R261-I282 WeakPolarHBondContact O-CA 3.47Å; R261-R283 PolarHBondContact O-N 3.42Å; R261-K285 VanDerWaalsContact CZ-CG 3.46Å; R261-K285 VanDerWaalsContact NH1-CG 3.31Å; R261-C288 VanDerWaalsContact CA-SG 3.53Å |
| 262 | M | 93.2 | Very high | 85.5 | Confident | 48 Ų | 48 | 103 Ų | 103 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133.8 | 176 | -171.8 | 171 | 68.5 | 0 | 0 | 110.4 | Y256 F257 Y264 T280 V281 | Y256-M262 VanDerWaalsContact O-CB 3.25Å; Y256-M262 WeakPolarHBondContact O-CB 3.4Å; Y256-M262 PolarHBondContact O-N 3.37Å; F257-M262 HydrophobicContact CD1-CE 3.78Å; F257-M262 HydrophobicContact CE1-CE 3.4Å; F257-M262 HydrophobicContact CZ-CE 4.42Å; M262-Y264 HydrophobicContact CE-CE2 4.47Å; M262-Y264 WeakPolarHBondContact CE-OH 3.33Å; M262-T280 HydrophobicContact CG-CG2 3.57Å; M262-T280 HydrophobicContact SD-CG2 3.71Å; M262-V281 WeakPolarHBondContact CA-O 3.37Å |
| 263 | A | 92.7 | Very high | 84.9 | Confident | 40 Ų | 40 | 95.3 Ų | 95.3 | 33% | 0.331 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 155.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V281 | A263-V281 PolarHBondContact N-O 3.04Å; A263-V281 PolarHBondContact O-N 2.97Å |
| 264 | Y | 92.9 | Very high | 84.4 | Confident | 140 Ų | 140 | 94.3 Ų | 94.3 | 55% | 0.549 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 125.7 | 173.4 | -62.5 | -75.5 | 0 | 0 | 0 | 109.4 | M262 P278 A279 T280 | M262-Y264 HydrophobicContact CE-CE2 4.47Å; M262-Y264 WeakPolarHBondContact CE-OH 3.33Å; Y264-P278 HydrophobicContact CD1-CB 4.21Å; Y264-P278 HydrophobicContact CG-CB 4.47Å; Y264-A279 CarbonylContact C-O 3.59Å; Y264-A279 WeakPolarHBondContact CA-O 3.26Å; Y264-T280 HydrophobicContact CE1-CG2 4.15Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.32Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.3Å |
| 265 | R | 90.6 | Very high | 83.9 | Confident | 145 Ų | 145 | 100.2 Ų | 100.2 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.9 | 172.5 | -178.9 | 173.8 | 177.7 | -109.1 | -6 | 107.8 | E267 A279 V281 | R265-E267 IonicContact CZ-OE1 3.27Å; R265-E267 IonicContact NH1-OE1 2.86Å; R265-E267 PolarHBondContact NH1-OE1 3.03Å; R265-E267 IonicContact NH2-OE1 2.84Å; R265-E267 PolarHBondContact NH2-OE1 2.99Å; R265-A279 HydrophobicContact CB-CB 4.36Å; R265-A279 PolarHBondContact N-O 3.49Å; R265-A279 PolarHBondContact O-N 3.47Å; R265-V281 HydrophobicContact CB-CG2 4.15Å |
| 266 | I | 89 | Confident | 83.6 | Confident | 94 Ų | 94 | 102 Ų | 102 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | trans | -111 | 121.3 | 177.1 | -58.1 | 170 | 0 | 0 | 0 | 106.4 | L268 V273 P278 | I266-L268 HydrophobicContact CG2-CD2 3.85Å; I266-L268 HydrophobicContact CG2-CG 4.47Å; I266-V273 HydrophobicContact CG2-CG1 3.58Å; I266-P278 HydrophobicContact CD1-CG 4.31Å; I266-P278 HydrophobicContact CG1-CB 3.78Å; I266-P278 HydrophobicContact CG1-CG 3.91Å | ||
| 267 | E | 85.2 | Confident | 83.4 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | trans | -88.1 | 111.1 | 175.9 | -63.1 | -172.6 | 173.2 | 0 | 0 | 108 | R265 V273 | R265-E267 IonicContact CZ-OE1 3.27Å; R265-E267 IonicContact NH1-OE1 2.86Å; R265-E267 PolarHBondContact NH1-OE1 3.03Å; R265-E267 IonicContact NH2-OE1 2.84Å; R265-E267 PolarHBondContact NH2-OE1 2.99Å; E267-V273 WeakPolarHBondContact O-CG1 3.33Å; E267-V273 WeakPolarHBondContact O-CG2 3.45Å | ||
| 268 | L | 84.9 | Confident | 83.4 | Confident | 143 Ų | 143 | 99.5 Ų | 99.5 | 75% | 0.749 | 51% | 0.511 | S | S | * | . | trans | -89.1 | -3 | -173.9 | -63.8 | 173 | 0 | 0 | 0 | 113.7 | I266 | I266-L268 HydrophobicContact CG2-CD2 3.85Å; I266-L268 HydrophobicContact CG2-CG 4.47Å | ||
| 269 | E | 81.9 | Confident | 83.6 | Confident | 196 Ų | 196 | 98.1 Ų | 98.1 | 92% | 0.916 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -80.5 | -21.6 | -172.4 | -66.9 | -178 | 179.4 | 0 | 0 | 113.4 | ||
| 270 | D | 75.2 | Confident | 83.9 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -96.7 | 120.5 | -177.1 | -129.3 | -10.5 | 0 | 0 | 0 | 109 | S272 V273 | D270-S272 PolarHBondContact O-N 2.91Å; D270-V273 WeakPolarHBondContact O-CG2 3.48Å; D270-V273 PolarHBondContact O-N 3.28Å |
| 271 | D | 71.5 | Confident | 84.2 | Confident | 166 Ų | 166 | 101.4 Ų | 101.4 | 89% | 0.888 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 0.1 | 177.2 | -67.3 | -32.4 | 0 | 0 | 0 | 113.8 | ||
| 272 | S | 69.9 | Low | 84.3 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.1 | 174.2 | -51.9 | 0 | 0 | 0 | 0 | 114.2 | D270 D274 F275 | D270-S272 PolarHBondContact O-N 2.91Å; S272-D274 PolarHBondContact O-N 2.98Å; S272-D274 VanDerWaalsContact O-N 3.08Å; S272-F275 PolarHBondContact O-N 2.79Å |
| 273 | V | 69.3 | Low | 84.2 | Confident | 32 Ų | 32 | 108 Ų | 108 | 19% | 0.194 | 56% | 0.556 | C | S | . | * | G | 310 helix | trans | -55.3 | -31.8 | -174.3 | -148.2 | 0 | 0 | 0 | 0 | 113.1 | I266 E267 D270 F275 E276 | I266-V273 HydrophobicContact CG2-CG1 3.58Å; E267-V273 WeakPolarHBondContact O-CG1 3.33Å; E267-V273 WeakPolarHBondContact O-CG2 3.45Å; D270-V273 WeakPolarHBondContact O-CG2 3.48Å; D270-V273 PolarHBondContact O-N 3.28Å; V273-F275 PolarHBondContact O-N 2.78Å; V273-E276 PolarHBondContact O-N 3.44Å; V273-E276 VanDerWaalsContact O-N 3.11Å |
| 274 | D | 74 | Confident | 84 | Confident | 149 Ų | 149 | 108.6 Ų | 108.6 | 80% | 0.797 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -60.8 | -21.4 | -174.7 | -68.5 | -17.7 | 0 | 0 | 0 | 113.4 | S272 | S272-D274 PolarHBondContact O-N 2.98Å; S272-D274 VanDerWaalsContact O-N 3.08Å |
| 275 | F | 76.3 | Confident | 83.7 | Confident | 195 Ų | 195 | 107.2 Ų | 107.2 | 86% | 0.855 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -109.3 | -2.2 | -179.7 | -62.4 | -78.1 | 0 | 0 | 0 | 114 | S272 V273 | S272-F275 PolarHBondContact O-N 2.79Å; V273-F275 PolarHBondContact O-N 2.78Å |
| 276 | E | 82.9 | Confident | 83.3 | Confident | 119 Ų | 119 | 105.5 Ų | 105.5 | 56% | 0.556 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -95.3 | 135.8 | -175.6 | -170 | 165.6 | -173.2 | 0 | 0 | 112.2 | V273 P278 | V273-E276 PolarHBondContact O-N 3.44Å; V273-E276 VanDerWaalsContact O-N 3.11Å; E276-P278 WeakPolarHBondContact O-CD 3.44Å |
| 277 | V | 84 | Confident | 83 | Confident | 128 Ų | 128 | 106.4 Ų | 106.4 | 78% | 0.776 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 120.5 | 175.9 | 179 | 0 | 0 | 0 | 0 | 108.5 | A279 | V277-A279 PolarHBondContact O-N 3.45Š|
| 278 | P | 88.9 | Confident | 82.4 | Confident | 52 Ų | 52 | 102.3 Ų | 102.3 | 34% | 0.338 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 134.8 | 179.9 | -28.2 | 36.2 | 0 | 0 | 0 | 112.7 | Y264 I266 E276 T280 | Y264-P278 HydrophobicContact CD1-CB 4.21Å; Y264-P278 HydrophobicContact CG-CB 4.47Å; I266-P278 HydrophobicContact CD1-CG 4.31Å; I266-P278 HydrophobicContact CG1-CB 3.78Å; I266-P278 HydrophobicContact CG1-CG 3.91Å; E276-P278 WeakPolarHBondContact O-CD 3.44Å; P278-T280 PolarHBondContact O-N 3.16Å |
| 279 | A | 89.1 | Confident | 81.6 | Confident | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y264 R265 V277 | Y264-A279 CarbonylContact C-O 3.59Å; Y264-A279 WeakPolarHBondContact CA-O 3.26Å; R265-A279 HydrophobicContact CB-CB 4.36Å; R265-A279 PolarHBondContact N-O 3.49Å; R265-A279 PolarHBondContact O-N 3.47Å; V277-A279 PolarHBondContact O-N 3.45Å |
| 280 | T | 93.8 | Very high | 80.7 | Confident | 75 Ų | 75 | 98.6 Ų | 98.6 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 122.1 | 178.2 | -53.3 | 0 | 0 | 0 | 0 | 110.3 | M262 Y264 P278 I282 | M262-T280 HydrophobicContact CG-CG2 3.57Å; M262-T280 HydrophobicContact SD-CG2 3.71Å; Y264-T280 HydrophobicContact CE1-CG2 4.15Å; Y264-T280 VanDerWaalsContact CE1-OG1 3.32Å; Y264-T280 WeakPolarHBondContact CE1-OG1 3.3Å; P278-T280 PolarHBondContact O-N 3.16Å; T280-I282 HydrophobicContact CG2-CG1 4.27Å |
| 281 | V | 92.3 | Very high | 80 | Confident | 67 Ų | 67 | 100.1 Ų | 100.1 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 123.8 | 176.7 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | M262 A263 R265 | M262-V281 WeakPolarHBondContact CA-O 3.37Å; A263-V281 PolarHBondContact N-O 3.04Å; A263-V281 PolarHBondContact O-N 2.97Å; R265-V281 HydrophobicContact CB-CG2 4.15Å |
| 282 | I | 93 | Very high | 79.2 | Confident | 90 Ų | 90 | 96.1 Ų | 96.1 | 46% | 0.462 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.2 | 179.2 | -57.6 | 174.4 | 0 | 0 | 0 | 109.1 | Y256 R261 T280 | Y256-I282 HydrophobicContact CD1-CD1 4.25Å; Y256-I282 HydrophobicContact CD1-CG2 3.82Å; Y256-I282 HydrophobicContact CE1-CD1 4.11Å; Y256-I282 HydrophobicContact CE1-CG2 3.85Å; R261-I282 HydrophobicContact CG-CG2 4.5Å; R261-I282 CarbonylContact O-C 3.6Å; R261-I282 WeakPolarHBondContact O-CA 3.47Å; T280-I282 HydrophobicContact CG2-CG1 4.27Å |
| 283 | R | 90.4 | Very high | 78.3 | Confident | 117 Ų | 117 | 95 Ų | 95 | 44% | 0.442 | 52% | 0.52 | S | S | . | . | trans | -85.3 | 153.7 | 173.7 | -66.7 | -161.3 | -69.3 | -104.7 | 12.7 | 111.2 | G260 R261 | G260-R283 PolarHBondContact O-NE 3.33Å; G260-R283 PolarHBondContact O-NH2 2.84Å; R261-R283 PolarHBondContact O-N 3.42Å | ||
| 284 | S | 89.3 | Confident | 77.7 | Confident | 51 Ų | 51 | 105 Ų | 105 | 36% | 0.357 | 55% | 0.554 | S | S | . | * | trans | -65.3 | 156.2 | 174.6 | 84.5 | 0 | 0 | 0 | 0 | 110.6 | S286 D287 C288 | S284-S286 PolarHBondContact O-N 3.31Å; S284-S286 PolarHBondContact OG-N 2.79Å; S284-D287 WeakPolarHBondContact CB-OD2 3.44Å; S284-D287 PolarHBondContact O-N 2.99Å; S284-D287 PolarHBondContact OG-N 3.25Å; S284-D287 VanDerWaalsContact OG-N 3.16Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; S284-C288 PolarHBondContact O-N 3.5Å; S284-C288 PolarHBondContact O-SG 2.99Å | ||
| 285 | K | 86 | Confident | 76.6 | Confident | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -33.7 | 174.1 | -71.9 | -176 | -178 | -171.7 | 0 | 112.4 | E255 R261 | E255-K285 VanDerWaalsContact CD-CE 3.49Å; E255-K285 IonicContact OE1-NZ 2.69Å; E255-K285 PolarHBondContact OE1-NZ 2.97Å; E255-K285 WeakPolarHBondContact OE2-CE 3.5Å; E255-K285 IonicContact OE2-NZ 2.83Å; E255-K285 PolarHBondContact OE2-NZ 3.2Å; R261-K285 VanDerWaalsContact CZ-CG 3.46Å; R261-K285 VanDerWaalsContact NH1-CG 3.31Å |
| 286 | S | 82.9 | Confident | 75.4 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 77% | 0.769 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -31.7 | -175.2 | -46.2 | 0 | 0 | 0 | 0 | 112.6 | S284 | S284-S286 PolarHBondContact O-N 3.31Å; S284-S286 PolarHBondContact OG-N 2.79Å |
| 287 | D | 81.8 | Confident | 74.2 | Confident | 112 Ų | 112 | 94.4 Ų | 94.4 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -12.4 | -177.1 | -57.2 | -37 | 0 | 0 | 0 | 113.1 | S284 L289 | S284-D287 WeakPolarHBondContact CB-OD2 3.44Å; S284-D287 PolarHBondContact O-N 2.99Å; S284-D287 PolarHBondContact OG-N 3.25Å; S284-D287 VanDerWaalsContact OG-N 3.16Å; S284-D287 PolarHBondContact OG-OD2 3.37Å; D287-L289 PolarHBondContact O-N 3.44Å |
| 288 | C | 74 | Confident | 72.9 | Confident | 12 Ų | 12 | 90.8 Ų | 90.8 | 8% | 0.081 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -79.2 | 102.2 | 173.3 | -59.7 | 0 | 0 | 0 | 0 | 108.4 | G260 R261 S284 Q290 | G260-C288 PolarHBondContact O-SG 3.49Å; G260-C288 VanDerWaalsContact O-SG 3.33Å; R261-C288 VanDerWaalsContact CA-SG 3.53Å; S284-C288 PolarHBondContact O-N 3.5Å; S284-C288 PolarHBondContact O-SG 2.99Å; C288-Q290 PolarHBondContact O-N 3.47Å |
| 289 | L | 68.2 | Low | 71.8 | Confident | 149 Ų | 149 | 94 Ų | 94 | 78% | 0.78 | 54% | 0.535 | S | S | * | . | trans | -51.3 | 118.3 | 164.5 | -62.9 | 176.3 | 0 | 0 | 0 | 107.1 | D287 I291 | D287-L289 PolarHBondContact O-N 3.44Å; L289-I291 PolarHBondContact O-N 2.99Å | ||
| 290 | Q | 62.5 | Low | 71.4 | Confident | 112 Ų | 112 | 94.3 Ų | 94.3 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | trans | -67.1 | 89.1 | 179.1 | -63.6 | -174.5 | 20.8 | 0 | 0 | 107.9 | C288 D292 G295 T296 | C288-Q290 PolarHBondContact O-N 3.47Å; Q290-D292 PolarHBondContact O-N 3.03Å; Q290-G295 PolarHBondContact OE1-O 3.12Å; Q290-T296 PolarHBondContact NE2-OG1 2.86Å | ||
| 291 | I | 59.4 | Low | 70.9 | Confident | 131 Ų | 131 | 96 Ų | 96 | 67% | 0.672 | 54% | 0.542 | S | S | * | . | trans | -68.5 | -25.8 | 176.7 | -68.4 | 164.6 | 0 | 0 | 0 | 109.6 | P259 L289 G293 | P259-I291 HydrophobicContact CB-CB 4.46Å; L289-I291 PolarHBondContact O-N 2.99Å; I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 PolarHBondContact O-N 3.36Å | ||
| 292 | D | 54.5 | Low | 70.7 | Confident | 82 Ų | 82 | 98.4 Ų | 98.4 | 44% | 0.439 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -71.8 | 92.6 | 163.9 | -66.3 | -13.2 | 0 | 0 | 0 | 107.5 | P259 Q290 R294 | P259-D292 WeakPolarHBondContact CG-OD2 3.35Å; Q290-D292 PolarHBondContact O-N 3.03Å; D292-R294 PolarHBondContact O-N 2.82Å |
| 293 | G | 52.3 | Low | 70.4 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 50% | 0.495 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 47.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I291 | I291-G293 VanDerWaalsContact C-N 3.32Å; I291-G293 PolarHBondContact O-N 3.36Å |
| 294 | R | 55.6 | Low | 70.3 | Confident | 241 Ų | 241 | 96.2 Ų | 96.2 | 91% | 0.909 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | -2.2 | -176.2 | -107.2 | 169.8 | 176.1 | -166.7 | -3.5 | 113.9 | D292 | D292-R294 PolarHBondContact O-N 2.82Š|
| 295 | G | 51.8 | Low | 70.6 | Confident | 24 Ų | 24 | 97.4 Ų | 97.4 | 25% | 0.247 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -127.5 | 121.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q290 G297 | Q290-G295 PolarHBondContact OE1-O 3.12Å; G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.36Å |
| 296 | T | 51.9 | Low | 70.9 | Confident | 145 Ų | 145 | 96.7 Ų | 96.7 | 89% | 0.89 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 66.2 | -18.3 | 164 | 44.4 | 0 | 0 | 0 | 0 | 120.4 | Q290 | Q290-T296 PolarHBondContact NE2-OG1 2.86Š|
| 297 | G | 56.5 | Low | 71.3 | Confident | 73 Ų | 73 | 96.5 Ų | 96.5 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -114.5 | -23.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | G295 | G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.36Å |
| 298 | A | 56.6 | Low | 71.9 | Confident | 51 Ų | 51 | 97.4 Ų | 97.4 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | trans | -128.3 | 73 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110 | T300 | A298-T300 VanDerWaalsContact C-N 3.26Å; A298-T300 PolarHBondContact O-N 3.37Å | ||
| 299 | I | 66.6 | Low | 72.9 | Confident | 121 Ų | 121 | 101 Ų | 101 | 62% | 0.621 | 56% | 0.559 | S | S | * | * | trans | -58 | 100.7 | 161 | -70.7 | 167.3 | 0 | 0 | 0 | 105.7 | E303 I304 | I299-E303 HydrophobicContact CG2-CB 4.43Å; I299-I304 HydrophobicContact CG2-CD1 3.83Å; I299-I304 HydrophobicContact CG2-CG1 3.21Å | ||
| 300 | T | 79.7 | Confident | 74.1 | Confident | 59 Ų | 59 | 97.8 Ų | 97.8 | 36% | 0.362 | 55% | 0.546 | S | S | . | . | trans | -66 | 150.9 | -177.9 | 66.4 | 0 | 0 | 0 | 0 | 108.5 | A298 N302 E303 I304 | A298-T300 VanDerWaalsContact C-N 3.26Å; A298-T300 PolarHBondContact O-N 3.37Å; T300-N302 PolarHBondContact O-N 2.98Å; T300-N302 VanDerWaalsContact O-N 3.07Å; T300-E303 PolarHBondContact N-OE2 2.96Å; T300-E303 WeakPolarHBondContact O-CA 3.46Å; T300-E303 WeakPolarHBondContact O-CB 3.32Å; T300-E303 PolarHBondContact O-N 3.49Å; T300-E303 WeakPolarHBondContact OG1-CG 3.39Å; T300-E303 PolarHBondContact OG1-N 3.21Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; T300-I304 PolarHBondContact O-N 3.5Å | ||
| 301 | T | 83.9 | Confident | 75.5 | Confident | 110 Ų | 110 | 97.3 Ų | 97.3 | 68% | 0.675 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -52.5 | -34.8 | 175 | -10.9 | 0 | 0 | 0 | 0 | 111.2 | I304 V305 | T301-I304 PolarHBondContact O-N 3.01Å; T301-V305 WeakPolarHBondContact O-CB 3.46Å; T301-V305 WeakPolarHBondContact O-CG2 3.38Å; T301-V305 PolarHBondContact O-N 3.2Å |
| 302 | N | 88.4 | Confident | 77.2 | Confident | 117 Ų | 117 | 95.3 Ų | 95.3 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.1 | -44.3 | 174.4 | -65.8 | -22 | 0 | 0 | 0 | 112.1 | T300 V305 I306 | T300-N302 PolarHBondContact O-N 2.98Å; T300-N302 VanDerWaalsContact O-N 3.07Å; N302-V305 PolarHBondContact O-N 3.49Å; N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 WeakPolarHBondContact O-CG1 3.29Å; N302-I306 PolarHBondContact O-N 2.87Å |
| 303 | E | 87.2 | Confident | 79 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 41% | 0.407 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 175.8 | -77.8 | 173.3 | 170.8 | 0 | 0 | 112.5 | I299 T300 V305 I306 N307 | I299-E303 HydrophobicContact CG2-CB 4.43Å; T300-E303 PolarHBondContact N-OE2 2.96Å; T300-E303 WeakPolarHBondContact O-CA 3.46Å; T300-E303 WeakPolarHBondContact O-CB 3.32Å; T300-E303 PolarHBondContact O-N 3.49Å; T300-E303 WeakPolarHBondContact OG1-CG 3.39Å; T300-E303 PolarHBondContact OG1-N 3.21Å; T300-E303 VanDerWaalsContact OG1-N 3.14Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-I306 PolarHBondContact O-N 2.77Å; E303-N307 WeakPolarHBondContact O-CB 3.36Å; E303-N307 VanDerWaalsContact O-CG 3.27Å; E303-N307 PolarHBondContact O-N 3.5Å; E303-N307 PolarHBondContact O-ND2 3.46Å |
| 304 | I | 88.4 | Confident | 80.7 | Confident | 75 Ų | 75 | 97.4 Ų | 97.4 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 173.2 | -55.6 | 177.4 | 0 | 0 | 0 | 109.9 | I299 T300 T301 N307 K308 | I299-I304 HydrophobicContact CG2-CD1 3.83Å; I299-I304 HydrophobicContact CG2-CG1 3.21Å; T300-I304 PolarHBondContact O-N 3.5Å; T301-I304 PolarHBondContact O-N 3.01Å; I304-N307 PolarHBondContact O-N 2.84Å; I304-K308 HydrophobicContact CG2-CD 4.26Å; I304-K308 HydrophobicContact CG2-CG 4.46Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CG 3.37Å; I304-K308 PolarHBondContact O-N 3.4Å |
| 305 | V | 94.3 | Very high | 82.4 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 46% | 0.455 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 179.3 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | T301 N302 E303 K308 L309 | T301-V305 WeakPolarHBondContact O-CB 3.46Å; T301-V305 WeakPolarHBondContact O-CG2 3.38Å; T301-V305 PolarHBondContact O-N 3.2Å; N302-V305 PolarHBondContact O-N 3.49Å; E303-V305 VanDerWaalsContact C-N 3.34Å; V305-K308 PolarHBondContact O-N 2.9Å; V305-L309 HydrophobicContact CG1-CD1 3.79Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.25Å; V305-L309 WeakPolarHBondContact O-CG 3.08Å; V305-L309 PolarHBondContact O-N 3.32Å |
| 306 | I | 92.4 | Very high | 84.2 | Confident | 96 Ų | 96 | 98.1 Ų | 98.1 | 49% | 0.492 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177.5 | -69.7 | 162.5 | 0 | 0 | 0 | 110.6 | N302 E303 K308 L309 T310 | N302-I306 WeakPolarHBondContact O-CB 3.34Å; N302-I306 WeakPolarHBondContact O-CD1 3.46Å; N302-I306 WeakPolarHBondContact O-CG1 3.29Å; N302-I306 PolarHBondContact O-N 2.87Å; E303-I306 PolarHBondContact O-N 2.77Å; I306-K308 PolarHBondContact O-N 2.86Å; I306-L309 PolarHBondContact O-N 3.32Å; I306-T310 WeakPolarHBondContact O-CB 3.32Å; I306-T310 PolarHBondContact O-N 2.88Å; I306-T310 PolarHBondContact O-OG1 2.83Å |
| 307 | N | 92.2 | Very high | 85.8 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 57% | 0.567 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 178.5 | -73.5 | -23.3 | 0 | 0 | 0 | 111.6 | E303 I304 T310 Q311 | E303-N307 WeakPolarHBondContact O-CB 3.36Å; E303-N307 VanDerWaalsContact O-CG 3.27Å; E303-N307 PolarHBondContact O-N 3.5Å; E303-N307 PolarHBondContact O-ND2 3.46Å; I304-N307 PolarHBondContact O-N 2.84Å; N307-T310 PolarHBondContact O-N 3.11Å; N307-Q311 WeakPolarHBondContact O-CB 3.36Å; N307-Q311 PolarHBondContact O-N 2.88Å |
| 308 | K | 93.7 | Very high | 86.9 | Confident | 131 Ų | 131 | 101.6 Ų | 101.6 | 57% | 0.57 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -45.6 | 173.9 | -77.4 | -172.1 | 177 | -167.2 | 0 | 112.2 | I304 V305 I306 T310 Q311 I312 | I304-K308 HydrophobicContact CG2-CD 4.26Å; I304-K308 HydrophobicContact CG2-CG 4.46Å; I304-K308 WeakPolarHBondContact O-CB 3.39Å; I304-K308 WeakPolarHBondContact O-CG 3.37Å; I304-K308 PolarHBondContact O-N 3.4Å; V305-K308 PolarHBondContact O-N 2.9Å; I306-K308 PolarHBondContact O-N 2.86Å; K308-T310 VanDerWaalsContact C-N 3.35Å; K308-Q311 PolarHBondContact O-N 3.49Å; K308-I312 WeakPolarHBondContact O-CB 3.45Å; K308-I312 VanDerWaalsContact O-CG1 3.24Å; K308-I312 WeakPolarHBondContact O-CG1 3.31Å; K308-I312 PolarHBondContact O-N 2.95Å |
| 309 | L | 95.2 | Very high | 87 | Confident | 88 Ų | 88 | 100.8 Ų | 100.8 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.3 | -74.1 | 173.1 | 0 | 0 | 0 | 111.2 | V305 I306 Q311 I312 L313 | V305-L309 HydrophobicContact CG1-CD1 3.79Å; V305-L309 HydrophobicContact CG1-CG 4.25Å; V305-L309 WeakPolarHBondContact O-CB 3.31Å; V305-L309 VanDerWaalsContact O-CG 3.25Å; V305-L309 WeakPolarHBondContact O-CG 3.08Å; V305-L309 PolarHBondContact O-N 3.32Å; I306-L309 PolarHBondContact O-N 3.32Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.36Å; L309-I312 PolarHBondContact O-N 3.43Å; L309-L313 VanDerWaalsContact O-CB 3.27Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.81Å |
| 310 | T | 93.1 | Very high | 86.7 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.503 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 177.1 | -52.1 | 0 | 0 | 0 | 0 | 110.7 | I306 N307 K308 S314 | I306-T310 WeakPolarHBondContact O-CB 3.32Å; I306-T310 PolarHBondContact O-N 2.88Å; I306-T310 PolarHBondContact O-OG1 2.83Å; N307-T310 PolarHBondContact O-N 3.11Å; K308-T310 VanDerWaalsContact C-N 3.35Å; T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3.26Å |
| 311 | Q | 92.3 | Very high | 85.7 | Confident | 101 Ų | 101 | 112.9 Ų | 112.9 | 47% | 0.472 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.4 | -42.7 | 174.4 | -170.3 | 177.2 | 20.2 | 0 | 0 | 112.4 | N307 K308 L309 L313 S314 Y315 | N307-Q311 WeakPolarHBondContact O-CB 3.36Å; N307-Q311 PolarHBondContact O-N 2.88Å; K308-Q311 PolarHBondContact O-N 3.49Å; L309-Q311 VanDerWaalsContact C-N 3.3Å; L309-Q311 PolarHBondContact O-N 3.36Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.24Å; Q311-S314 PolarHBondContact O-N 3.1Å; Q311-S314 PolarHBondContact O-OG 2.98Å; Q311-Y315 HydrophobicContact CG-CD2 3.95Å; Q311-Y315 HydrophobicContact CG-CE2 3.5Å; Q311-Y315 VanDerWaalsContact CG-CE2 3.5Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.87Å |
| 312 | I | 93.6 | Very high | 84.4 | Confident | 90 Ų | 90 | 116.1 Ų | 116.1 | 46% | 0.462 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.2 | -43.6 | 175.3 | -70.9 | 163.6 | 0 | 0 | 0 | 110.7 | K308 L309 Y315 L316 | K308-I312 WeakPolarHBondContact O-CB 3.45Å; K308-I312 VanDerWaalsContact O-CG1 3.24Å; K308-I312 WeakPolarHBondContact O-CG1 3.31Å; K308-I312 PolarHBondContact O-N 2.95Å; L309-I312 PolarHBondContact O-N 3.43Å; I312-Y315 PolarHBondContact O-N 2.82Å; I312-L316 HydrophobicContact CG2-CD1 3.75Å; I312-L316 WeakPolarHBondContact O-CB 3.44Å; I312-L316 WeakPolarHBondContact O-CG 3.48Å; I312-L316 PolarHBondContact O-N 3.3Å |
| 313 | L | 92.2 | Very high | 82.9 | Confident | 109 Ų | 109 | 114.8 Ų | 114.8 | 57% | 0.571 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.4 | -35.2 | 178.1 | -70.6 | 173.2 | 0 | 0 | 0 | 111.7 | L309 Q311 L316 R317 | L309-L313 VanDerWaalsContact O-CB 3.27Å; L309-L313 WeakPolarHBondContact O-CB 3.36Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.81Å; Q311-L313 VanDerWaalsContact C-N 3.34Å; Q311-L313 PolarHBondContact O-N 3.24Å; L313-L316 HydrophobicContact CD2-CD1 4.41Å; L313-L316 PolarHBondContact O-N 3.4Å; L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 PolarHBondContact O-N 3.31Å |
| 314 | S | 89.4 | Confident | 81.3 | Confident | 64 Ų | 64 | 120.4 Ų | 120.4 | 45% | 0.448 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67 | -40.8 | 173.7 | 74.7 | 0 | 0 | 0 | 0 | 111.4 | T310 Q311 R317 A318 | T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3.26Å; Q311-S314 PolarHBondContact O-N 3.1Å; Q311-S314 PolarHBondContact O-OG 2.98Å; S314-R317 PolarHBondContact O-N 3.29Å; S314-A318 VanDerWaalsContact O-CB 3.28Å; S314-A318 WeakPolarHBondContact O-CB 3.25Å; S314-A318 PolarHBondContact O-N 3.03Å |
| 315 | Y | 90.5 | Very high | 79.4 | Confident | 160 Ų | 160 | 127 Ų | 127 | 63% | 0.627 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.7 | -41.3 | 172.2 | -74.1 | -56.9 | 0 | 0 | 0 | 112.7 | Q311 I312 G319 | Q311-Y315 HydrophobicContact CG-CD2 3.95Å; Q311-Y315 HydrophobicContact CG-CE2 3.5Å; Q311-Y315 VanDerWaalsContact CG-CE2 3.5Å; Q311-Y315 WeakPolarHBondContact O-CD2 3.48Å; Q311-Y315 PolarHBondContact O-N 2.87Å; I312-Y315 PolarHBondContact O-N 2.82Å; Y315-G319 PolarHBondContact O-N 2.65Å |
| 316 | L | 89.6 | Confident | 77.1 | Confident | 121 Ų | 121 | 127.8 Ų | 127.8 | 63% | 0.634 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.3 | -42.5 | 174.7 | -85.2 | 158.8 | 0 | 0 | 0 | 111.8 | I312 L313 G319 | I312-L316 HydrophobicContact CG2-CD1 3.75Å; I312-L316 WeakPolarHBondContact O-CB 3.44Å; I312-L316 WeakPolarHBondContact O-CG 3.48Å; I312-L316 PolarHBondContact O-N 3.3Å; L313-L316 HydrophobicContact CD2-CD1 4.41Å; L313-L316 PolarHBondContact O-N 3.4Å; L316-G319 WeakPolarHBondContact O-CA 3.2Å; L316-G319 PolarHBondContact O-N 3.08Å; L316-G319 VanDerWaalsContact O-N 3.13Å |
| 317 | R | 85.9 | Confident | 74.7 | Confident | 233 Ų | 233 | 133.1 Ų | 133.1 | 88% | 0.879 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -68.9 | -39.9 | 178.9 | -167.6 | 179.1 | -146.5 | 168 | 6.6 | 112.1 | L313 S314 G319 | L313-R317 WeakPolarHBondContact O-CB 3.26Å; L313-R317 PolarHBondContact O-N 3.31Å; S314-R317 PolarHBondContact O-N 3.29Å; R317-G319 PolarHBondContact O-N 2.9Å |
| 318 | A | 79.9 | Confident | 72.5 | Confident | 58 Ų | 58 | 136.3 Ų | 136.3 | 48% | 0.479 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -64.3 | -28.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S314 | S314-A318 VanDerWaalsContact O-CB 3.28Å; S314-A318 WeakPolarHBondContact O-CB 3.25Å; S314-A318 PolarHBondContact O-N 3.03Å |
| 319 | G | 59.6 | Low | 70 | Confident | 34 Ų | 34 | 140.6 Ų | 140.6 | 35% | 0.351 | 69% | 0.693 | S | S | . | * | G | 310 helix | trans | 59.2 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y315 L316 R317 R321 | Y315-G319 PolarHBondContact O-N 2.65Å; L316-G319 WeakPolarHBondContact O-CA 3.2Å; L316-G319 PolarHBondContact O-N 3.08Å; L316-G319 VanDerWaalsContact O-N 3.13Å; R317-G319 PolarHBondContact O-N 2.9Å; G319-R321 PolarHBondContact O-N 2.6Å |
| 320 | K | 59.6 | Low | 67.3 | Low | 211 Ų | 211 | 139.7 Ų | 139.7 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -61.1 | 14.8 | 176.4 | -104.8 | 171.3 | 174 | 174.5 | 0 | 115.3 | H322 | K320-H322 PolarHBondContact O-N 2.81Š|
| 321 | R | 59.3 | Low | 64.5 | Low | 223 Ų | 223 | 147.6 Ų | 147.6 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -86.6 | 0.8 | -162.8 | -61.3 | -168.9 | 103.1 | 164.5 | 4.7 | 116.1 | G319 | G319-R321 PolarHBondContact O-N 2.6Š|
| 322 | H | 55.4 | Low | 62.2 | Low | 177 Ų | 177 | 150 Ų | 150 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -105.2 | 6 | 177.4 | -76.6 | -73.3 | 0 | 0 | 0 | 116.5 | K320 | K320-H322 PolarHBondContact O-N 2.81Š|
| 323 | A | 57.1 | Low | 59.7 | Low | 90 Ų | 90 | 150.3 Ų | 150.3 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -92.5 | 0.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 324 | K | 53.1 | Low | 57.2 | Low | 205 Ų | 205 | 151.3 Ų | 151.3 | 89% | 0.891 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -135.5 | 13.8 | -172.5 | -68.5 | -165.6 | 176.4 | -174 | 0 | 117.4 | ||
| 325 | K | 48.4 | Very low | 54.9 | Low | 214 Ų | 214 | 158.1 Ų | 158.1 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -129.1 | 64.7 | 171.6 | -85.2 | -171.6 | 171.7 | -176.5 | 0 | 111 | ||||
| 326 | A | 46.6 | Very low | 52.5 | Low | 90 Ų | 90 | 155 Ų | 155 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -141.3 | 131.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||
| 327 | K | 41.4 | Very low | 50.1 | Low | 209 Ų | 209 | 157.9 Ų | 157.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 90.5 | 63.1 | -167.6 | -53.6 | 180 | 175.9 | 179.6 | 0 | 116.1 | ||
| 328 | L | 46.4 | Very low | 47.9 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | S | Bend | -174.1 | 119 | 128.6 | -143.1 | 63.2 | 0 | 0 | 0 | 108.6 | |||
| 329 | K | 41.6 | Very low | 45.8 | Very low | 220 Ų | 220 | 160.3 Ų | 160.3 | 96% | 0.957 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 79.6 | 110.2 | 173.3 | -144.4 | 167.7 | -174.9 | 175.5 | 0 | 114.3 | ||
| 330 | G | 37.9 | Very low | 45 | Very low | 70 Ų | 70 | 168.5 Ų | 168.5 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | cis | 175.3 | 143.1 | -1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 331 | R | 33.9 | Very low | 44.5 | Very low | 248 Ų | 248 | 167.1 Ų | 167.1 | 94% | 0.936 | 83% | 0.829 | S | S | * | * | trans | 79.5 | 63.8 | 168.6 | -53.5 | -169.3 | -177.3 | -166.5 | 1.7 | 119.6 | ||||
| 332 | V | 45.4 | Very low | 43.6 | Very low | 150 Ų | 150 | 162.1 Ų | 162.1 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -155.9 | 120.1 | 142.2 | -176.5 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 333 | A | 39.6 | Very low | 42.7 | Very low | 98 Ų | 98 | 159.7 Ų | 159.7 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -75.6 | 153.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 334 | D | 41 | Very low | 42.1 | Very low | 130 Ų | 130 | 165.8 Ų | 165.8 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | cis | -160.7 | 142.4 | -3.1 | -173.2 | 17.5 | 0 | 0 | 0 | 106.4 | ||||
| 335 | R | 41.5 | Very low | 41.4 | Very low | 207 Ų | 207 | 164.9 Ų | 164.9 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | trans | 37.6 | 115.3 | 155.7 | -80.8 | 168.7 | 163.1 | 169.7 | -6.3 | 122 | ||||
| 336 | S | 38.9 | Very low | 41 | Very low | 93 Ų | 93 | 160.7 Ų | 160.7 | 65% | 0.65 | 80% | 0.801 | S | S | * | * | 63 | 131.7 | 88.6 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 337 | E | 39.5 | Very low | 41.1 | Very low | 183 Ų | 183 | 163.3 Ų | 163.3 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | -177.7 | 158.1 | 50.2 | -163.2 | 156.2 | -166.5 | 0 | 0 | 108.4 | |||||
| 338 | F | 39.7 | Very low | 41.1 | Very low | 184 Ų | 184 | 160.9 Ų | 160.9 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -66.8 | 135.7 | 174.4 | -94.8 | -111.4 | 0 | 0 | 0 | 111.3 | ||||
| 339 | D | 36.6 | Very low | 41.1 | Very low | 158 Ų | 158 | 161.7 Ų | 161.7 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 141.8 | 134.7 | -130.3 | -12.4 | 0 | 0 | 0 | 110.5 | E341 | D339-E341 PolarHBondContact O-N 2.97Š| ||
| 340 | Y | 41.7 | Very low | 41.2 | Very low | 205 Ų | 205 | 159.6 Ų | 159.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 116 | 173.8 | -89.6 | -97.4 | 0 | 0 | 0 | 108.1 | ||||
| 341 | E | 49 | Very low | 41.8 | Very low | 182 Ų | 182 | 160.2 Ų | 160.2 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -142 | 151.2 | 157.9 | -88.2 | -54.7 | 158.4 | 0 | 0 | 112.4 | D339 | D339-E341 PolarHBondContact O-N 2.97Š| ||
| 342 | D | 40.2 | Very low | 42.6 | Very low | 118 Ų | 118 | 156.1 Ų | 156.1 | 63% | 0.631 | 79% | 0.788 | S | S | * | * | trans | -62.6 | 165 | -163.7 | -167.6 | 14.8 | 0 | 0 | 0 | 115.4 | ||||
| 343 | N | 37.8 | Very low | 43.1 | Very low | 127 Ų | 127 | 155.1 Ų | 155.1 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -47.5 | 158.4 | -176.1 | -67.2 | -83.1 | 0 | 0 | 0 | 116.1 | ||
| 344 | R | 44.2 | Very low | 44 | Very low | 218 Ų | 218 | 154.1 Ų | 154.1 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | trans | 89.7 | 87.9 | 159 | -49.6 | 173.2 | -131.1 | -156.5 | -0.1 | 114.2 | ||||
| 345 | H | 38.3 | Very low | 45 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | 173.7 | 99.4 | 140.7 | -100.4 | -79.1 | 0 | 0 | 0 | 108.7 | ||||
| 346 | L | 39.3 | Very low | 46.3 | Very low | 126 Ų | 126 | 152.9 Ų | 152.9 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | 178.2 | 86.2 | 128.5 | -123.2 | 62.1 | 0 | 0 | 0 | 111 | H348 K349 | L346-H348 PolarHBondContact O-N 2.84Å; L346-K349 HydrophobicContact CD2-CD 4.38Å | |||
| 347 | V | 48.6 | Very low | 47.5 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -74.9 | 16.9 | 158.2 | 167.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 348 | H | 43.1 | Very low | 48.7 | Very low | 158 Ų | 158 | 151.7 Ų | 151.7 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | trans | -134.7 | 78.7 | -176.5 | -87.7 | 18.1 | 0 | 0 | 0 | 111.5 | L346 | L346-H348 PolarHBondContact O-N 2.84Š| ||
| 349 | K | 44.5 | Very low | 49.6 | Very low | 191 Ų | 191 | 149.6 Ų | 149.6 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -157.4 | 48.1 | 158 | -114.6 | 175.6 | -171.8 | -178 | 0 | 111.3 | L346 | L346-K349 HydrophobicContact CD2-CD 4.38Š| ||
| 350 | I | 45.7 | Very low | 50.4 | Low | 176 Ų | 176 | 144.9 Ų | 144.9 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | -111.3 | 90.1 | 161.3 | -60.1 | 170.9 | 0 | 0 | 0 | 104.6 | ||||
| 351 | A | 49.4 | Very low | 51.2 | Low | 82 Ų | 82 | 142.4 Ų | 142.4 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -161.3 | -23.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 352 | N | 50.9 | Low | 51.8 | Low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -149.9 | 57.2 | -170.5 | -67.7 | -57.6 | 0 | 0 | 0 | 114.8 | ||||
| 353 | T | 55.1 | Low | 52.8 | Low | 130 Ų | 130 | 145.8 Ų | 145.8 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -109.4 | 114.1 | 163.5 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | I355 | T353-I355 PolarHBondContact O-N 3.03Š| ||
| 354 | A | 59.6 | Low | 53.9 | Low | 76 Ų | 76 | 147.4 Ų | 147.4 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | -63.4 | 127.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F356 E357 | A354-F356 PolarHBondContact O-N 2.89Å; A354-E357 PolarHBondContact O-N 3.15Å | ||
| 355 | I | 60.9 | Low | 54.6 | Low | 153 Ų | 153 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -14.1 | -172 | -55 | 167.3 | 0 | 0 | 0 | 112.3 | T353 | T353-I355 PolarHBondContact O-N 3.03Š|
| 356 | F | 69.5 | Low | 55.1 | Low | 158 Ų | 158 | 139.4 Ų | 139.4 | 69% | 0.693 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 6.5 | -170.4 | -63.7 | -79.2 | 0 | 0 | 0 | 115.4 | A354 G358 I359 | A354-F356 PolarHBondContact O-N 2.89Å; F356-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact O-N 3.08Å; F356-I359 PolarHBondContact O-N 3.18Å |
| 357 | E | 63.7 | Low | 55.6 | Low | 178 Ų | 178 | 139.3 Ų | 139.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -6.2 | -179.5 | -159 | 167.1 | -174 | 0 | 0 | 113.5 | A354 | A354-E357 PolarHBondContact O-N 3.15Š|
| 358 | G | 65.5 | Low | 55.4 | Low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | 2.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116 | F356 | F356-G358 PolarHBondContact O-N 3Å; F356-G358 VanDerWaalsContact O-N 3.08Å |
| 359 | I | 57.7 | Low | 55.6 | Low | 139 Ų | 139 | 144.7 Ų | 144.7 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -118.6 | 97.2 | 178.3 | -70 | 100.5 | 0 | 0 | 0 | 109.3 | F356 | F356-I359 PolarHBondContact O-N 3.18Š| ||
| 360 | G | 53.8 | Low | 55.5 | Low | 60 Ų | 60 | 144.5 Ų | 144.5 | 62% | 0.619 | 79% | 0.788 | S | S | * | * | trans | 172.4 | 99.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 361 | N | 59.1 | Low | 55.5 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 160.5 | 1.7 | 137.1 | -76.1 | -13 | 0 | 0 | 0 | 114.4 | Y363 | N361-Y363 PolarHBondContact O-N 2.84Š|
| 362 | D | 61.8 | Low | 55.1 | Low | 167 Ų | 167 | 145.3 Ų | 145.3 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -93 | 16.9 | -171 | -60 | -19 | 0 | 0 | 0 | 115.4 | ||||
| 363 | Y | 61.1 | Low | 55 | Low | 204 Ų | 204 | 143.1 Ų | 143.1 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -127.9 | 101.4 | 176.6 | -147.1 | -97.1 | 0 | 0 | 0 | 112.3 | N361 P365 | N361-Y363 PolarHBondContact O-N 2.84Å; Y363-P365 HydrophobicContact CD1-CG 4.18Å; Y363-P365 HydrophobicContact CE1-CG 4.17Å | ||
| 364 | L | 61 | Low | 54.4 | Low | 161 Ų | 161 | 144.7 Ų | 144.7 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -118.3 | 108.6 | 168.6 | -74.3 | 173.2 | 0 | 0 | 0 | 109.3 | T366 | L364-T366 PolarHBondContact O-N 2.86Š| ||
| 365 | P | 58.4 | Low | 53.8 | Low | 91 Ų | 91 | 149 Ų | 149 | 59% | 0.591 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 124.1 | 176.2 | -11.7 | 26.3 | 0 | 0 | 0 | 111.1 | Y363 T367 | Y363-P365 HydrophobicContact CD1-CG 4.18Å; Y363-P365 HydrophobicContact CE1-CG 4.17Å; P365-T367 PolarHBondContact O-N 3.21Å; P365-T367 VanDerWaalsContact O-N 3.1Å | ||
| 366 | T | 47.9 | Very low | 53.1 | Low | 145 Ų | 145 | 152.1 Ų | 152.1 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -69.5 | 102.6 | 173.7 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | L364 | L364-T366 PolarHBondContact O-N 2.86Š| ||
| 367 | T | 50.5 | Low | 52.2 | Low | 124 Ų | 124 | 151.1 Ų | 151.1 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | trans | -109.2 | 118.7 | 167.2 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | P365 K369 | P365-T367 PolarHBondContact O-N 3.21Å; P365-T367 VanDerWaalsContact O-N 3.1Å; T367-K369 PolarHBondContact O-N 2.83Å | ||
| 368 | K | 44 | Very low | 51.4 | Low | 211 Ų | 211 | 149.6 Ų | 149.6 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | -66.4 | 119.6 | 175.9 | -68.9 | 175.7 | 178.7 | 173.3 | 0 | 109.5 | ||||
| 369 | K | 48 | Very low | 50.8 | Low | 205 Ų | 205 | 154.1 Ų | 154.1 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | trans | -103.6 | 109.7 | 161.4 | -87.7 | -173.1 | 176.6 | 178.6 | 0 | 110.1 | T367 | T367-K369 PolarHBondContact O-N 2.83Š| ||
| 370 | Q | 42.9 | Very low | 50.1 | Low | 186 Ų | 186 | 152.9 Ų | 152.9 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -66.9 | 125.1 | 160.9 | -77.3 | -86.5 | -23.3 | 0 | 0 | 109.1 | ||||
| 371 | G | 44.6 | Very low | 49.8 | Very low | 73 Ų | 73 | 160.8 Ų | 160.8 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | trans | -134.5 | 102.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 372 | K | 42.2 | Very low | 49.3 | Very low | 203 Ų | 203 | 160.3 Ų | 160.3 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -68.6 | 130.1 | 171.9 | -84 | 168.4 | 166 | 171 | 0 | 110.2 | ||||
| 373 | S | 48.5 | Very low | 48.3 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -152.4 | 112.9 | 144 | 59.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 374 | N | 42 | Very low | 47.6 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -65.6 | 131.3 | 167.1 | -65.5 | -39.3 | 0 | 0 | 0 | 109 | ||||
| 375 | D | 47.6 | Very low | 46.7 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -144.5 | 135.4 | 142.6 | -142.7 | -9.5 | 0 | 0 | 0 | 110.7 | ||||
| 376 | R | 45.5 | Very low | 46.1 | Very low | 219 Ų | 219 | 153.1 Ų | 153.1 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | trans | -90.2 | 143 | -173.7 | -80.5 | 171.3 | 154.4 | 142.2 | -7.9 | 109.5 | ||||
| 377 | T | 49.7 | Very low | 46 | Very low | 136 Ų | 136 | 150.8 Ų | 150.8 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 173.6 | 96.1 | 145.1 | 24.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 378 | D | 47.8 | Very low | 45.5 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | 65.5 | 112.7 | 84 | -81.7 | -16.3 | 0 | 0 | 0 | 115.7 | |||||
| 379 | L | 52 | Low | 45.5 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | 96.5 | 121.5 | 149.6 | -58.2 | 172.2 | 0 | 0 | 0 | 121 | ||||
| 380 | P | 44.1 | Very low | 45.5 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -108.9 | 145.1 | 164.6 | 36.7 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 381 | Y | 47.1 | Very low | 45.8 | Very low | 226 Ų | 226 | 145.5 Ų | 145.5 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | 174.1 | 126.5 | 148.6 | -121.3 | -95.1 | 0 | 0 | 0 | 109.2 | ||||
| 382 | D | 48.5 | Very low | 45.9 | Very low | 143 Ų | 143 | 152.8 Ų | 152.8 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | -171.9 | 125.6 | 124 | -160.3 | 10.6 | 0 | 0 | 0 | 110.4 | |||||
| 383 | D | 42.1 | Very low | 46.4 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | -112.4 | 117.3 | 170.5 | 169.2 | 26.4 | 0 | 0 | 0 | 105.8 | ||||
| 384 | S | 44.5 | Very low | 46.5 | Very low | 96 Ų | 96 | 150.7 Ų | 150.7 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 111.2 | 163.4 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 385 | S | 43.7 | Very low | 46.4 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | -33 | 150.4 | 153.8 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 386 | V | 45.1 | Very low | 46.3 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | 177 | 128.6 | 119 | 156.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 387 | S | 44.7 | Very low | 46.2 | Very low | 96 Ų | 96 | 142.2 Ų | 142.2 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | trans | -66.2 | 140.2 | 171.2 | 34.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 388 | N | 41.9 | Very low | 46.1 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | 170.3 | 124.9 | 120.3 | -106.8 | -33.7 | 0 | 0 | 0 | 113.8 | |||||
| 389 | S | 43.6 | Very low | 45.8 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | 43.6 | 123.1 | 125.4 | -167.4 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 390 | R | 47.6 | Very low | 45.5 | Very low | 224 Ų | 224 | 140.2 Ų | 140.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | -171.2 | 123.5 | 129.8 | -99.5 | 157.5 | -160.4 | -179.9 | 7.5 | 113.9 | |||||
| 391 | N | 48.3 | Very low | 45.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 72.1 | 108.6 | 138.7 | -54.7 | -17.4 | 0 | 0 | 0 | 118.4 | ||||
| 392 | R | 47.2 | Very low | 45 | Very low | 225 Ų | 225 | 133.2 Ų | 133.2 | 85% | 0.849 | 79% | 0.792 | S | S | * | * | cis | 77.3 | 111.7 | 49.6 | -153.5 | -169 | -128.6 | -144.2 | 4.6 | 113.3 | ||||
| 393 | L | 52.1 | Low | 44.6 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | 169.9 | 156.6 | 118.2 | -84.7 | 154.6 | 0 | 0 | 0 | 114.2 | |||||
| 394 | P | 51.3 | Low | 44.7 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -134.3 | -175.4 | -155.9 | 42.1 | -22.4 | 0 | 0 | 0 | 117.9 | ||||
| 395 | A | 40.1 | Very low | 44.7 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 81.8 | 131.3 | 145.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 396 | S | 45.7 | Very low | 44.6 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -171.8 | 129.9 | 145.7 | 176.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 397 | N | 42.5 | Very low | 44.7 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | trans | -76.3 | 161.2 | -175.3 | -65.5 | -35.6 | 0 | 0 | 0 | 115.6 | ||||
| 398 | T | 47.6 | Very low | 44.6 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | -161.9 | 138.1 | 128.9 | -23.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 399 | T | 42.5 | Very low | 44.5 | Very low | 122 Ų | 122 | 136.5 Ų | 136.5 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -114 | 151.5 | -177.7 | 39.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 400 | T | 44.7 | Very low | 44.6 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 87% | 0.871 | 83% | 0.829 | S | S | * | * | trans | 172.6 | 115.3 | 149.9 | 44.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 401 | A | 39.5 | Very low | 44.4 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | 82.7 | 121.6 | 51.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 402 | G | 42.1 | Very low | 44.3 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 117.9 | 134.1 | 166 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 403 | S | 40.6 | Very low | 43.9 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | cis | -165.3 | 156.9 | 9.8 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 404 | N | 44.2 | Very low | 43.8 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | -76.6 | 160.6 | -173.3 | -64.9 | -42.2 | 0 | 0 | 0 | 115.4 | ||||
| 405 | S | 44 | Very low | 43.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | -177.1 | 135.4 | 111.3 | 54.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 406 | N | 41.6 | Very low | 44.3 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 83% | 0.83 | S | S | * | * | trans | -73.9 | 160.8 | 176.8 | -76.3 | -31.2 | 0 | 0 | 0 | 113 | ||||
| 407 | T | 46.6 | Very low | 44.9 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | 179.3 | 112.9 | 109.4 | 41.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 408 | N | 43.5 | Very low | 45.9 | Very low | 154 Ų | 154 | 133.4 Ų | 133.4 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | 29.9 | 124.2 | 132.7 | -55.7 | -23.8 | 0 | 0 | 0 | 122.6 | ||||
| 409 | A | 39.8 | Very low | 46.6 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | 172.1 | 101.3 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 410 | E | 44.2 | Very low | 47.6 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | 79.1 | 141.4 | 111.2 | -90.7 | -88.1 | 128.2 | 0 | 0 | 116.3 | |||||
| 411 | P | 45.2 | Very low | 48.5 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 60% | 0.604 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 137.8 | -143.6 | 37.2 | -30.7 | 0 | 0 | 0 | 113.7 | ||||
| 412 | N | 44.7 | Very low | 49.8 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -157.4 | 116.2 | 161.7 | -93.5 | -37.8 | 0 | 0 | 0 | 111.9 | ||||
| 413 | S | 39.2 | Very low | 50.5 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 21.8 | 101.3 | 146.5 | 172.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 414 | T | 51.1 | Low | 51.1 | Low | 138 Ų | 138 | 138 Ų | 138 | 85% | 0.847 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 126.8 | 152.5 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 415 | Q | 52.6 | Low | 51.4 | Low | 194 Ų | 194 | 133.1 Ų | 133.1 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -45.3 | 142.6 | 178.1 | -72 | 170.2 | -30.9 | 0 | 0 | 113.2 | S417 | Q415-S417 PolarHBondContact O-N 2.85Š| ||
| 416 | A | 49 | Very low | 51.8 | Low | 100 Ų | 100 | 134.1 Ų | 134.1 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -55.4 | 131 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y418 | A416-Y418 PolarHBondContact O-N 2.96Š| ||
| 417 | S | 56.7 | Low | 52.5 | Low | 71 Ų | 71 | 131.5 Ų | 131.5 | 50% | 0.497 | 76% | 0.76 | S | S | . | * | trans | -62.8 | 125.3 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | Q415 F419 D420 | Q415-S417 PolarHBondContact O-N 2.85Å; S417-F419 PolarHBondContact O-N 3.21Å; S417-D420 PolarHBondContact O-N 2.8Å | ||
| 418 | Y | 64.1 | Low | 52.9 | Low | 207 Ų | 207 | 130.4 Ų | 130.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -7.2 | 177.3 | -179.3 | -103 | 0 | 0 | 0 | 113.9 | A416 | A416-Y418 PolarHBondContact O-N 2.96Š|
| 419 | F | 63.4 | Low | 53.4 | Low | 168 Ų | 168 | 126.4 Ų | 126.4 | 74% | 0.737 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -3.4 | -173.1 | -71.1 | -77.8 | 0 | 0 | 0 | 115.9 | S417 I421 | S417-F419 PolarHBondContact O-N 3.21Å; F419-I421 PolarHBondContact O-N 3.42Å |
| 420 | D | 63.8 | Low | 54.1 | Low | 136 Ų | 136 | 127.2 Ų | 127.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -99.6 | 89.9 | -179.4 | -69.5 | -36.9 | 0 | 0 | 0 | 111.5 | S417 | S417-D420 PolarHBondContact O-N 2.8Š| ||
| 421 | I | 63.4 | Low | 54.7 | Low | 146 Ų | 146 | 124.5 Ų | 124.5 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | -87.4 | 119.1 | 172 | -56.9 | 171.9 | 0 | 0 | 0 | 108.6 | F419 | F419-I421 PolarHBondContact O-N 3.42Š| ||
| 422 | P | 66.7 | Low | 55.7 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | trans | -66.9 | 134.6 | 178.1 | 25.6 | -32.1 | 0 | 0 | 0 | 111.6 | N424 | P422-N424 PolarHBondContact O-N 2.71Š| ||
| 423 | A | 56.5 | Low | 56.7 | Low | 103 Ų | 103 | 119.3 Ų | 119.3 | 85% | 0.851 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -68.8 | 35.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 424 | N | 52 | Low | 58.4 | Low | 161 Ų | 161 | 116.9 Ų | 116.9 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | trans | -137.8 | 25.3 | -175.4 | -104.1 | -28.6 | 0 | 0 | 0 | 114.4 | P422 | P422-N424 PolarHBondContact O-N 2.71Š| ||
| 425 | A | 50.4 | Low | 59.6 | Low | 52 Ų | 52 | 113 Ų | 113 | 43% | 0.43 | 65% | 0.653 | S | S | . | * | trans | -100 | 5.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S427 | A425-S427 PolarHBondContact O-N 3.07Å; A425-S427 VanDerWaalsContact O-N 3.09Å | ||
| 426 | D | 53.1 | Low | 60.6 | Low | 145 Ų | 145 | 107.4 Ų | 107.4 | 78% | 0.775 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 1.2 | -169.4 | -69.1 | -22.2 | 0 | 0 | 0 | 115.6 | ||
| 427 | S | 56 | Low | 62.1 | Low | 96 Ų | 96 | 109.3 Ų | 109.3 | 67% | 0.671 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -5 | -179 | 77 | 0 | 0 | 0 | 0 | 115.4 | A425 | A425-S427 PolarHBondContact O-N 3.07Å; A425-S427 VanDerWaalsContact O-N 3.09Å |
| 428 | V | 55.5 | Low | 63.2 | Low | 107 Ų | 107 | 112.4 Ų | 112.4 | 65% | 0.648 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -18.9 | -173.6 | -170.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 429 | T | 54.9 | Low | 64.1 | Low | 71 Ų | 71 | 108.6 Ų | 108.6 | 44% | 0.436 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -75.2 | -25.2 | -174.5 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | N431 S432 I433 | T429-N431 PolarHBondContact O-N 2.99Å; T429-S432 PolarHBondContact O-N 2.89Å; T429-S432 PolarHBondContact O-OG 2.79Å; T429-S432 VanDerWaalsContact O-OG 3.05Å; T429-I433 WeakPolarHBondContact O-CD1 3.48Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.45Å; T429-I433 PolarHBondContact O-N 3.49Å |
| 430 | N | 53.3 | Low | 64.8 | Low | 112 Ų | 112 | 105.9 Ų | 105.9 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.9 | -29 | -178.7 | -68.9 | -39.4 | 0 | 0 | 0 | 113.2 | ||
| 431 | N | 57.7 | Low | 65.5 | Low | 131 Ų | 131 | 104.6 Ų | 104.6 | 70% | 0.701 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80.7 | -30.3 | 177.4 | -69.6 | -11.4 | 0 | 0 | 0 | 112.2 | T429 A435 | T429-N431 PolarHBondContact O-N 2.99Å; N431-A435 PolarHBondContact O-N 2.63Å |
| 432 | S | 65.2 | Low | 66.3 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 45% | 0.448 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.1 | -32.9 | 176.9 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | T429 A435 T436 | T429-S432 PolarHBondContact O-N 2.89Å; T429-S432 PolarHBondContact O-OG 2.79Å; T429-S432 VanDerWaalsContact O-OG 3.05Å; S432-A435 PolarHBondContact O-N 3.06Å; S432-T436 VanDerWaalsContact O-CG2 3.3Å; S432-T436 WeakPolarHBondContact O-CG2 3.4Å; S432-T436 PolarHBondContact O-N 3.47Å; S432-T436 PolarHBondContact O-OG1 3.38Å |
| 433 | I | 67 | Low | 66.7 | Low | 81 Ų | 81 | 99.3 Ų | 99.3 | 42% | 0.415 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -70.1 | -33.9 | 178.7 | -64.6 | 163.6 | 0 | 0 | 0 | 111.5 | T429 T436 K437 | T429-I433 WeakPolarHBondContact O-CD1 3.48Å; T429-I433 VanDerWaalsContact O-CG1 3.28Å; T429-I433 WeakPolarHBondContact O-CG1 3.45Å; T429-I433 PolarHBondContact O-N 3.49Å; I433-T436 WeakPolarHBondContact CA-OG1 3.43Å; I433-T436 PolarHBondContact O-OG1 3.46Å; I433-T436 VanDerWaalsContact O-OG1 3.07Å; I433-K437 HydrophobicContact CG2-CD 4.37Å; I433-K437 WeakPolarHBondContact O-CB 3.42Å; I433-K437 VanDerWaalsContact O-CG 3.29Å; I433-K437 WeakPolarHBondContact O-CG 3.47Å; I433-K437 PolarHBondContact O-N 3.38Å; I433-K437 VanDerWaalsContact O-N 3.09Å |
| 434 | S | 74.9 | Confident | 67.5 | Low | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.5 | -43.3 | 175.4 | -158.8 | 0 | 0 | 0 | 0 | 111.4 | T436 K437 E438 | S434-T436 PolarHBondContact O-N 2.93Å; S434-K437 PolarHBondContact O-N 3.06Å; S434-E438 PolarHBondContact O-N 3.29Å |
| 435 | A | 74.9 | Confident | 68.5 | Low | 58 Ų | 58 | 97.8 Ų | 97.8 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N431 S432 F439 | N431-A435 PolarHBondContact O-N 2.63Å; S432-A435 PolarHBondContact O-N 3.06Å; A435-F439 WeakPolarHBondContact O-CB 3.27Å; A435-F439 PolarHBondContact O-N 3.38Å |
| 436 | T | 75 | Confident | 69.6 | Low | 76 Ų | 76 | 103.9 Ų | 103.9 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72 | -33.6 | 175.2 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | S432 I433 S434 L440 | S432-T436 VanDerWaalsContact O-CG2 3.3Å; S432-T436 WeakPolarHBondContact O-CG2 3.4Å; S432-T436 PolarHBondContact O-N 3.47Å; S432-T436 PolarHBondContact O-OG1 3.38Å; I433-T436 WeakPolarHBondContact CA-OG1 3.43Å; I433-T436 PolarHBondContact O-OG1 3.46Å; I433-T436 VanDerWaalsContact O-OG1 3.07Å; S434-T436 PolarHBondContact O-N 2.93Å; T436-L440 WeakPolarHBondContact O-CB 3.42Å; T436-L440 PolarHBondContact O-N 3.4Å |
| 437 | K | 79.6 | Confident | 70 | Confident | 139 Ų | 139 | 103.5 Ų | 103.5 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67 | -42 | 173.4 | -79.3 | 178.8 | 179.7 | -177.3 | 0 | 112.5 | I433 S434 L440 N441 | I433-K437 HydrophobicContact CG2-CD 4.37Å; I433-K437 WeakPolarHBondContact O-CB 3.42Å; I433-K437 VanDerWaalsContact O-CG 3.29Å; I433-K437 WeakPolarHBondContact O-CG 3.47Å; I433-K437 PolarHBondContact O-N 3.38Å; I433-K437 VanDerWaalsContact O-N 3.09Å; S434-K437 PolarHBondContact O-N 3.06Å; K437-L440 PolarHBondContact O-N 2.93Å; K437-N441 PolarHBondContact O-N 3.01Å |
| 438 | E | 79.1 | Confident | 69.7 | Low | 137 Ų | 137 | 105.9 Ų | 105.9 | 64% | 0.64 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 175.4 | -74 | -177.3 | 177.1 | 0 | 0 | 111.5 | S434 L440 N441 E442 | S434-E438 PolarHBondContact O-N 3.29Å; E438-L440 PolarHBondContact O-N 2.93Å; E438-N441 PolarHBondContact O-N 2.9Å; E438-E442 WeakPolarHBondContact O-CB 3.24Å; E438-E442 PolarHBondContact O-N 3.48Å |
| 439 | F | 83.5 | Confident | 69.5 | Low | 126 Ų | 126 | 103.8 Ų | 103.8 | 55% | 0.553 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.5 | -38.9 | 175.1 | -176 | -109.1 | 0 | 0 | 0 | 113 | A435 E442 L443 | A435-F439 WeakPolarHBondContact O-CB 3.27Å; A435-F439 PolarHBondContact O-N 3.38Å; F439-E442 PolarHBondContact O-N 2.8Å; F439-L443 HydrophobicContact CD1-CD1 3.74Å; F439-L443 HydrophobicContact CD1-CG 4.4Å; F439-L443 HydrophobicContact CE1-CD1 3.33Å; F439-L443 HydrophobicContact CE1-CG 4.08Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.79Å; F439-L443 HydrophobicContact CZ-CD2 4.4Å; F439-L443 HydrophobicContact CZ-CG 4.11Å; F439-L443 WeakPolarHBondContact O-CB 3.37Å; F439-L443 WeakPolarHBondContact O-CG 3.32Å; F439-L443 PolarHBondContact O-N 3.1Å |
| 440 | L | 78.2 | Confident | 69.5 | Low | 111 Ų | 111 | 108.7 Ų | 108.7 | 58% | 0.581 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.7 | -39 | 174.5 | -91.8 | 158.6 | 0 | 0 | 0 | 112.4 | T436 K437 E438 L443 S444 | T436-L440 WeakPolarHBondContact O-CB 3.42Å; T436-L440 PolarHBondContact O-N 3.4Å; K437-L440 PolarHBondContact O-N 2.93Å; E438-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 2.84Å; L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.45Å |
| 441 | N | 79 | Confident | 69.5 | Low | 109 Ų | 109 | 110.5 Ų | 110.5 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | 173.3 | -94.8 | -10.4 | 0 | 0 | 0 | 111.9 | K437 E438 S444 Q445 | K437-N441 PolarHBondContact O-N 3.01Å; E438-N441 PolarHBondContact O-N 2.9Å; N441-S444 PolarHBondContact O-N 3.4Å; N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 2.96Å |
| 442 | E | 80.6 | Confident | 69.5 | Low | 83 Ų | 83 | 111.4 Ų | 111.4 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.5 | -39.5 | 175.8 | -173 | 176.7 | -177.4 | 0 | 0 | 111.8 | E438 F439 Q445 R446 | E438-E442 WeakPolarHBondContact O-CB 3.24Å; E438-E442 PolarHBondContact O-N 3.48Å; F439-E442 PolarHBondContact O-N 2.8Å; E442-Q445 PolarHBondContact O-N 2.85Å; E442-R446 WeakPolarHBondContact O-CB 3.25Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 2.81Å; E442-R446 PolarHBondContact O-N 2.97Å; E442-R446 IonicContact OE1-CZ 3.88Å; E442-R446 IonicContact OE1-NE 2.98Å; E442-R446 PolarHBondContact OE1-NE 3.15Å; E442-R446 IonicContact OE1-NH2 2.79Å; E442-R446 PolarHBondContact OE1-NH2 3.12Å |
| 443 | L | 75.5 | Confident | 69.2 | Low | 58 Ų | 58 | 112.4 Ų | 112.4 | 30% | 0.304 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.7 | -41 | 170.3 | -79.1 | 173.2 | 0 | 0 | 0 | 111.6 | F439 L440 Q445 R446 F447 | F439-L443 HydrophobicContact CD1-CD1 3.74Å; F439-L443 HydrophobicContact CD1-CG 4.4Å; F439-L443 HydrophobicContact CE1-CD1 3.33Å; F439-L443 HydrophobicContact CE1-CG 4.08Å; F439-L443 HydrophobicContact CE2-CG 4.47Å; F439-L443 HydrophobicContact CZ-CD1 3.79Å; F439-L443 HydrophobicContact CZ-CD2 4.4Å; F439-L443 HydrophobicContact CZ-CG 4.11Å; F439-L443 WeakPolarHBondContact O-CB 3.37Å; F439-L443 WeakPolarHBondContact O-CG 3.32Å; F439-L443 PolarHBondContact O-N 3.1Å; L440-L443 PolarHBondContact O-N 2.84Å; L443-Q445 VanDerWaalsContact C-N 3.29Å; L443-Q445 PolarHBondContact O-N 3.36Å; L443-R446 PolarHBondContact O-N 2.68Å; L443-F447 HydrophobicContact CD2-CD2 3.79Å; L443-F447 HydrophobicContact CD2-CE2 3.54Å; L443-F447 WeakPolarHBondContact O-CB 3.46Å; L443-F447 WeakPolarHBondContact O-CD2 3.32Å; L443-F447 PolarHBondContact O-N 3.42Å |
| 444 | S | 72 | Confident | 68.9 | Low | 76 Ų | 76 | 116.7 Ų | 116.7 | 53% | 0.531 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.1 | -31.4 | 177.3 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | L440 N441 | L440-S444 WeakPolarHBondContact O-CB 3.42Å; L440-S444 PolarHBondContact O-N 3.45Å; N441-S444 PolarHBondContact O-N 3.4Å |
| 445 | Q | 72.6 | Confident | 68.4 | Low | 156 Ų | 156 | 119.6 Ų | 119.6 | 73% | 0.729 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -82.4 | -33.2 | 175.9 | -74.4 | 177.9 | 10.8 | 0 | 0 | 113 | N441 E442 L443 | N441-Q445 WeakPolarHBondContact O-CG 3.36Å; N441-Q445 PolarHBondContact O-N 2.96Å; E442-Q445 PolarHBondContact O-N 2.85Å; L443-Q445 VanDerWaalsContact C-N 3.29Å; L443-Q445 PolarHBondContact O-N 3.36Å |
| 446 | R | 74.4 | Confident | 68.2 | Low | 181 Ų | 181 | 123.3 Ų | 123.3 | 68% | 0.683 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -78.3 | -29.2 | 178.8 | -72.5 | 177.1 | -175.6 | -120.2 | 8.7 | 112.9 | E442 L443 | E442-R446 WeakPolarHBondContact O-CB 3.25Å; E442-R446 VanDerWaalsContact O-CG 3.27Å; E442-R446 WeakPolarHBondContact O-CG 2.81Å; E442-R446 PolarHBondContact O-N 2.97Å; E442-R446 IonicContact OE1-CZ 3.88Å; E442-R446 IonicContact OE1-NE 2.98Å; E442-R446 PolarHBondContact OE1-NE 3.15Å; E442-R446 IonicContact OE1-NH2 2.79Å; E442-R446 PolarHBondContact OE1-NH2 3.12Å; L443-R446 PolarHBondContact O-N 2.68Å |
| 447 | F | 61.2 | Low | 67.8 | Low | 136 Ų | 136 | 125.8 Ų | 125.8 | 60% | 0.596 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | 46.6 | 179.6 | -64.8 | -81.3 | 0 | 0 | 0 | 111.4 | L443 V449 | L443-F447 HydrophobicContact CD2-CD2 3.79Å; L443-F447 HydrophobicContact CD2-CE2 3.54Å; L443-F447 WeakPolarHBondContact O-CB 3.46Å; L443-F447 WeakPolarHBondContact O-CD2 3.32Å; L443-F447 PolarHBondContact O-N 3.42Å; F447-V449 HydrophobicContact CB-CG2 4.15Å; F447-V449 WeakPolarHBondContact O-CB 3.15Å; F447-V449 VanDerWaalsContact O-CG2 3.25Å; F447-V449 WeakPolarHBondContact O-CG2 3.37Å; F447-V449 PolarHBondContact O-N 3.2Å |
| 448 | D | 49.5 | Very low | 67.4 | Low | 147 Ų | 147 | 126 Ų | 126 | 79% | 0.786 | 60% | 0.597 | S | S | * | * | trans | -65.7 | 79.4 | 168.7 | -131.1 | -9 | 0 | 0 | 0 | 108.7 | K450 | D448-K450 PolarHBondContact O-N 2.82Š| ||
| 449 | V | 51.6 | Low | 67.2 | Low | 63 Ų | 63 | 122.1 Ų | 122.1 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | trans | -85.5 | 110.7 | -169.8 | 162.6 | 0 | 0 | 0 | 0 | 106.4 | F447 E451 N453 | F447-V449 HydrophobicContact CB-CG2 4.15Å; F447-V449 WeakPolarHBondContact O-CB 3.15Å; F447-V449 VanDerWaalsContact O-CG2 3.25Å; F447-V449 WeakPolarHBondContact O-CG2 3.37Å; F447-V449 PolarHBondContact O-N 3.2Å; V449-E451 PolarHBondContact O-N 3.29Å; V449-N453 HydrophobicContact CG1-CB 3.23Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.08Å | ||
| 450 | K | 53.9 | Low | 66.7 | Low | 173 Ų | 173 | 119.8 Ų | 119.8 | 75% | 0.752 | 59% | 0.588 | S | S | * | * | trans | -28.4 | 128.6 | 171.1 | -66.1 | 176.6 | 177.1 | 179.4 | 0 | 111.4 | D448 E452 N453 | D448-K450 PolarHBondContact O-N 2.82Å; K450-E452 PolarHBondContact O-N 3.24Å; K450-N453 PolarHBondContact O-N 2.9Å | ||
| 451 | E | 55.1 | Low | 66.3 | Low | 151 Ų | 151 | 118.8 Ų | 118.8 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -45.4 | -24.9 | -174.1 | -75.8 | -126.8 | 133.8 | 0 | 0 | 115.7 | V449 N453 R454 | V449-E451 PolarHBondContact O-N 3.29Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.42Å; E451-R454 PolarHBondContact O-N 2.79Å |
| 452 | E | 56 | Low | 66 | Low | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -60.1 | -35.7 | 175.3 | -77 | -176.9 | 137.9 | 0 | 0 | 114.2 | K450 L455 Q456 | K450-E452 PolarHBondContact O-N 3.24Å; E452-L455 PolarHBondContact O-N 3.22Å; E452-Q456 PolarHBondContact O-N 2.83Å |
| 453 | N | 58.5 | Low | 65.5 | Low | 85 Ų | 85 | 125 Ų | 125 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75.8 | -30.8 | -178.9 | -82.5 | -6.8 | 0 | 0 | 0 | 112.3 | V449 K450 E451 L455 Q456 E457 | V449-N453 HydrophobicContact CG1-CB 3.23Å; V449-N453 WeakPolarHBondContact CG1-ND2 3.08Å; K450-N453 PolarHBondContact O-N 2.9Å; E451-N453 VanDerWaalsContact C-N 3.34Å; E451-N453 PolarHBondContact O-N 3.42Å; N453-L455 PolarHBondContact O-N 2.99Å; N453-Q456 PolarHBondContact O-N 3.44Å; N453-E457 WeakPolarHBondContact O-CB 3.27Å; N453-E457 PolarHBondContact O-N 2.89Å |
| 454 | R | 60.8 | Low | 65.3 | Low | 171 Ų | 171 | 128.6 Ų | 128.6 | 65% | 0.645 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.2 | -31.7 | 174.3 | -77.9 | -179.5 | 78.7 | -173.8 | 7.3 | 111.8 | E451 K458 | E451-R454 PolarHBondContact O-N 2.79Å; R454-K458 WeakPolarHBondContact O-CB 3.39Å; R454-K458 PolarHBondContact O-N 2.91Å |
| 455 | L | 65.1 | Low | 65.2 | Low | 126 Ų | 126 | 131 Ų | 131 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72 | -40.8 | 176.7 | -68.3 | 169.4 | 0 | 0 | 0 | 111.7 | E452 N453 A459 | E452-L455 PolarHBondContact O-N 3.22Å; N453-L455 PolarHBondContact O-N 2.99Å; L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.3Å |
| 456 | Q | 69.9 | Low | 65 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.4 | -39.5 | 175.5 | -75.3 | -176.2 | -1.6 | 0 | 0 | 112.8 | E452 N453 A459 S460 | E452-Q456 PolarHBondContact O-N 2.83Å; N453-Q456 PolarHBondContact O-N 3.44Å; Q456-A459 PolarHBondContact O-N 2.81Å; Q456-S460 WeakPolarHBondContact O-CB 3.39Å; Q456-S460 PolarHBondContact O-N 3.36Å; Q456-S460 PolarHBondContact O-OG 3.41Å |
| 457 | E | 67 | Low | 64.5 | Low | 129 Ų | 129 | 125 Ų | 125 | 60% | 0.603 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.7 | -38.1 | 179.1 | -157.7 | 172.6 | -152.5 | 0 | 0 | 111.2 | N453 S460 L461 | N453-E457 WeakPolarHBondContact O-CB 3.27Å; N453-E457 PolarHBondContact O-N 2.89Å; E457-S460 PolarHBondContact O-N 3.48Å; E457-L461 WeakPolarHBondContact O-CB 3.35Å; E457-L461 WeakPolarHBondContact O-CG 3.33Å; E457-L461 PolarHBondContact O-N 2.72Å |
| 458 | K | 72.6 | Confident | 64.6 | Low | 143 Ų | 143 | 122.2 Ų | 122.2 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 172.3 | -168.7 | 179.3 | -179.2 | -174.1 | 0 | 112.1 | R454 S460 L461 E462 | R454-K458 WeakPolarHBondContact O-CB 3.39Å; R454-K458 PolarHBondContact O-N 2.91Å; K458-S460 VanDerWaalsContact C-N 3.33Å; K458-L461 PolarHBondContact O-N 2.97Å; K458-E462 VanDerWaalsContact O-CB 3.24Å; K458-E462 WeakPolarHBondContact O-CB 3.45Å; K458-E462 PolarHBondContact O-N 3.05Å |
| 459 | A | 73.2 | Confident | 65.1 | Low | 56 Ų | 56 | 122.1 Ų | 122.1 | 46% | 0.463 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.2 | -36.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L455 Q456 R463 | L455-A459 VanDerWaalsContact O-CB 3.27Å; L455-A459 WeakPolarHBondContact O-CB 3.28Å; L455-A459 PolarHBondContact O-N 3.3Å; Q456-A459 PolarHBondContact O-N 2.81Å; A459-R463 WeakPolarHBondContact O-CB 3.33Å; A459-R463 PolarHBondContact O-N 3.21Å |
| 460 | S | 73.7 | Confident | 65.6 | Low | 77 Ų | 77 | 123.9 Ų | 123.9 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.2 | -41.4 | 175.9 | -61.7 | 0 | 0 | 0 | 0 | 112 | Q456 E457 K458 R463 F464 | Q456-S460 WeakPolarHBondContact O-CB 3.39Å; Q456-S460 PolarHBondContact O-N 3.36Å; Q456-S460 PolarHBondContact O-OG 3.41Å; E457-S460 PolarHBondContact O-N 3.48Å; K458-S460 VanDerWaalsContact C-N 3.33Å; S460-R463 PolarHBondContact O-N 3.08Å; S460-F464 WeakPolarHBondContact O-CB 3.42Å; S460-F464 PolarHBondContact O-N 2.96Å |
| 461 | L | 70.2 | Confident | 65.8 | Low | 90 Ų | 90 | 119 Ų | 119 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.6 | -41.9 | 173.6 | -81.4 | 164.5 | 0 | 0 | 0 | 111.7 | E457 K458 R463 F464 F465 | E457-L461 WeakPolarHBondContact O-CB 3.35Å; E457-L461 WeakPolarHBondContact O-CG 3.33Å; E457-L461 PolarHBondContact O-N 2.72Å; K458-L461 PolarHBondContact O-N 2.97Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.11Å; L461-F464 CarbonylContact O-C 3.45Å; L461-F464 WeakPolarHBondContact O-CB 3.27Å; L461-F464 PolarHBondContact O-N 3.41Å; L461-F464 VanDerWaalsContact O-N 3.1Å; L461-F465 HydrophobicContact CB-CD2 4.47Å; L461-F465 HydrophobicContact CB-CE2 4.42Å; L461-F465 HydrophobicContact CD2-CE2 4.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.46Å; L461-F465 PolarHBondContact O-N 3.38Å |
| 462 | E | 71.6 | Confident | 66.1 | Low | 133 Ų | 133 | 116.6 Ų | 116.6 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.4 | -37.1 | 176.5 | -165.8 | 164.2 | -160.9 | 0 | 0 | 111.4 | K458 F465 A466 | K458-E462 VanDerWaalsContact O-CB 3.24Å; K458-E462 WeakPolarHBondContact O-CB 3.45Å; K458-E462 PolarHBondContact O-N 3.05Å; E462-F465 PolarHBondContact O-N 3.4Å; E462-A466 WeakPolarHBondContact O-CB 3.31Å; E462-A466 PolarHBondContact O-N 2.97Å |
| 463 | R | 70.9 | Confident | 66.7 | Low | 189 Ų | 189 | 118.2 Ų | 118.2 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.4 | -35.3 | 170.9 | -152.9 | 174.5 | -166.2 | -177.8 | 2.8 | 112.2 | A459 S460 L461 K467 | A459-R463 WeakPolarHBondContact O-CB 3.33Å; A459-R463 PolarHBondContact O-N 3.21Å; S460-R463 PolarHBondContact O-N 3.08Å; L461-R463 VanDerWaalsContact C-N 3.31Å; L461-R463 PolarHBondContact O-N 3.11Å; R463-K467 WeakPolarHBondContact O-CG 3.4Å; R463-K467 PolarHBondContact O-N 2.81Å |
| 464 | F | 71.5 | Confident | 67.3 | Low | 133 Ų | 133 | 116.5 Ų | 116.5 | 58% | 0.583 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.8 | -41.5 | 175.4 | -164.9 | -90.6 | 0 | 0 | 0 | 112.3 | S460 L461 A466 K467 T468 | S460-F464 WeakPolarHBondContact O-CB 3.42Å; S460-F464 PolarHBondContact O-N 2.96Å; L461-F464 CarbonylContact O-C 3.45Å; L461-F464 WeakPolarHBondContact O-CB 3.27Å; L461-F464 PolarHBondContact O-N 3.41Å; L461-F464 VanDerWaalsContact O-N 3.1Å; F464-A466 VanDerWaalsContact C-N 3.35Å; F464-K467 PolarHBondContact O-N 3.44Å; F464-T468 HydrophobicContact CD1-CG2 4.26Å; F464-T468 HydrophobicContact CE1-CG2 4.02Å; F464-T468 WeakPolarHBondContact O-CG2 3.39Å; F464-T468 PolarHBondContact O-N 3.4Å; F464-T468 PolarHBondContact O-OG1 2.84Å |
| 465 | F | 70.6 | Confident | 67.8 | Low | 128 Ų | 128 | 115.2 Ų | 115.2 | 56% | 0.561 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.6 | -34.3 | 173.8 | -75.7 | -65 | 0 | 0 | 0 | 112.2 | L461 E462 T468 Q469 | L461-F465 HydrophobicContact CB-CD2 4.47Å; L461-F465 HydrophobicContact CB-CE2 4.42Å; L461-F465 HydrophobicContact CD2-CE2 4.23Å; L461-F465 WeakPolarHBondContact O-CD2 3.46Å; L461-F465 PolarHBondContact O-N 3.38Å; E462-F465 PolarHBondContact O-N 3.4Å; F465-T468 VanDerWaalsContact CA-OG1 3.31Å; F465-T468 WeakPolarHBondContact CA-OG1 3.45Å; F465-T468 PolarHBondContact O-N 3.16Å; F465-T468 PolarHBondContact O-OG1 3Å; F465-T468 VanDerWaalsContact O-OG1 3.1Å; F465-Q469 PolarHBondContact O-N 3.22Å |
| 466 | A | 67.2 | Low | 68.2 | Low | 63 Ų | 63 | 113.2 Ų | 113.2 | 52% | 0.521 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.2 | -38 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E462 F464 T468 Q469 | E462-A466 WeakPolarHBondContact O-CB 3.31Å; E462-A466 PolarHBondContact O-N 2.97Å; F464-A466 VanDerWaalsContact C-N 3.35Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.89Å; A466-Q469 PolarHBondContact O-N 3.21Å |
| 467 | K | 64.4 | Low | 68.3 | Low | 148 Ų | 148 | 113.4 Ų | 113.4 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.1 | -23.3 | 174.4 | -79 | -173 | 175 | -152.6 | 0 | 113.8 | R463 F464 | R463-K467 WeakPolarHBondContact O-CG 3.4Å; R463-K467 PolarHBondContact O-N 2.81Å; F464-K467 PolarHBondContact O-N 3.44Å |
| 468 | T | 63.1 | Low | 68.1 | Low | 77 Ų | 77 | 113.4 Ų | 113.4 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -95.2 | -5.3 | 179.6 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | F464 F465 A466 V470 | F464-T468 HydrophobicContact CD1-CG2 4.26Å; F464-T468 HydrophobicContact CE1-CG2 4.02Å; F464-T468 WeakPolarHBondContact O-CG2 3.39Å; F464-T468 PolarHBondContact O-N 3.4Å; F464-T468 PolarHBondContact O-OG1 2.84Å; F465-T468 VanDerWaalsContact CA-OG1 3.31Å; F465-T468 WeakPolarHBondContact CA-OG1 3.45Å; F465-T468 PolarHBondContact O-N 3.16Å; F465-T468 PolarHBondContact O-OG1 3Å; F465-T468 VanDerWaalsContact O-OG1 3.1Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.89Å; T468-V470 PolarHBondContact O-N 2.96Å |
| 469 | Q | 59.7 | Low | 67.9 | Low | 145 Ų | 145 | 108 Ų | 108 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | trans | -73.8 | 79.6 | 166.2 | -75.3 | -175.2 | 29.3 | 0 | 0 | 109.5 | F465 A466 T471 | F465-Q469 PolarHBondContact O-N 3.22Å; A466-Q469 PolarHBondContact O-N 3.21Å; Q469-T471 PolarHBondContact O-N 2.89Å; Q469-T471 VanDerWaalsContact O-N 3.11Å | ||
| 470 | V | 61.6 | Low | 67.6 | Low | 99 Ų | 99 | 110.2 Ų | 110.2 | 60% | 0.6 | 57% | 0.566 | S | S | * | * | trans | -61.6 | 110.3 | 164.4 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | T468 D474 E475 | T468-V470 PolarHBondContact O-N 2.96Å; V470-D474 HydrophobicContact CG1-CB 3.98Å; V470-E475 HydrophobicContact CG1-CG 4.36Å | ||
| 471 | T | 59.2 | Low | 67.3 | Low | 70 Ų | 70 | 109.3 Ų | 109.3 | 43% | 0.429 | 56% | 0.563 | S | S | . | * | trans | -78.3 | 150.7 | 175.5 | 69.3 | 0 | 0 | 0 | 0 | 108.5 | Q469 Y473 D474 | Q469-T471 PolarHBondContact O-N 2.89Å; Q469-T471 VanDerWaalsContact O-N 3.11Å; T471-Y473 PolarHBondContact O-N 3.46Å; T471-D474 PolarHBondContact N-OD2 3.22Å; T471-D474 WeakPolarHBondContact O-CB 3.41Å; T471-D474 PolarHBondContact O-N 2.97Å; T471-D474 PolarHBondContact OG1-OD2 3.34Å | ||
| 472 | C | 61.6 | Low | 67 | Low | 102 Ų | 102 | 112.2 Ų | 112.2 | 69% | 0.689 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -15.1 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 473 | Y | 68.7 | Low | 66.9 | Low | 182 Ų | 182 | 108.4 Ų | 108.4 | 71% | 0.714 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -27.8 | 173.2 | -114.5 | -92.7 | 0 | 0 | 0 | 113.5 | T471 E475 C476 | T471-Y473 PolarHBondContact O-N 3.46Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; Y473-C476 PolarHBondContact O-N 3.38Å |
| 474 | D | 70.1 | Confident | 66.5 | Low | 49 Ų | 49 | 107.1 Ų | 107.1 | 26% | 0.262 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -72.9 | -27.3 | 178.5 | -60.4 | -46.1 | 0 | 0 | 0 | 111.8 | V470 T471 C476 Y477 | V470-D474 HydrophobicContact CG1-CB 3.98Å; T471-D474 PolarHBondContact N-OD2 3.22Å; T471-D474 WeakPolarHBondContact O-CB 3.41Å; T471-D474 PolarHBondContact O-N 2.97Å; T471-D474 PolarHBondContact OG1-OD2 3.34Å; D474-C476 VanDerWaalsContact C-N 3.28Å; D474-C476 PolarHBondContact O-N 3.45Å; D474-Y477 PolarHBondContact O-N 2.99Å |
| 475 | E | 71.6 | Confident | 66.1 | Low | 144 Ų | 144 | 105.8 Ų | 105.8 | 67% | 0.673 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -70 | -23.4 | 174.5 | -63.1 | -175.4 | 171 | 0 | 0 | 113.2 | V470 Y473 Y477 | V470-E475 HydrophobicContact CG1-CG 4.36Å; Y473-E475 VanDerWaalsContact C-N 3.33Å; E475-Y477 VanDerWaalsContact C-N 3.34Å |
| 476 | C | 74.7 | Confident | 65.7 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -83.1 | -11.7 | -179 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | Y473 D474 | Y473-C476 PolarHBondContact O-N 3.38Å; D474-C476 VanDerWaalsContact C-N 3.28Å; D474-C476 PolarHBondContact O-N 3.45Å |
| 477 | Y | 71.5 | Confident | 65.4 | Low | 139 Ų | 139 | 107.8 Ų | 107.8 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -139.2 | 80.6 | -179.8 | -64.5 | -86.8 | 0 | 0 | 0 | 111 | D474 E475 G479 F480 | D474-Y477 PolarHBondContact O-N 2.99Å; E475-Y477 VanDerWaalsContact C-N 3.34Å; Y477-G479 PolarHBondContact O-N 2.85Å; Y477-F480 VanDerWaalsContact CB-CB 3.44Å; Y477-F480 HydrophobicContact CG-CB 4.37Å; Y477-F480 WeakPolarHBondContact O-CB 2.94Å; Y477-F480 PolarHBondContact O-N 2.96Å |
| 478 | P | 63.6 | Low | 65 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 84% | 0.844 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 110.7 | 171 | -14.4 | 27.9 | 0 | 0 | 0 | 108.3 | ||
| 479 | G | 67.4 | Low | 64.5 | Low | 30 Ų | 30 | 105.9 Ų | 105.9 | 31% | 0.309 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 109.1 | -11.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y477 S483 | Y477-G479 PolarHBondContact O-N 2.85Å; G479-S483 VanDerWaalsContact O-CB 3.27Å; G479-S483 WeakPolarHBondContact O-CB 3.13Å; G479-S483 PolarHBondContact O-N 3.46Å; G479-S483 PolarHBondContact O-OG 3.32Å |
| 480 | F | 67.7 | Low | 64.1 | Low | 102 Ų | 102 | 103.8 Ų | 103.8 | 45% | 0.447 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.1 | -43.1 | 174.2 | -171.7 | -104 | 0 | 0 | 0 | 111.3 | Y477 E482 S483 Y484 | Y477-F480 VanDerWaalsContact CB-CB 3.44Å; Y477-F480 HydrophobicContact CG-CB 4.37Å; Y477-F480 WeakPolarHBondContact O-CB 2.94Å; Y477-F480 PolarHBondContact O-N 2.96Å; F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.13Å; F480-S483 WeakPolarHBondContact CA-OG 3.3Å; F480-S483 CarbonylContact O-C 3.55Å; F480-S483 PolarHBondContact O-N 2.87Å; F480-S483 PolarHBondContact O-OG 3.1Å; F480-Y484 HydrophobicContact CE1-CD2 4.11Å; F480-Y484 HydrophobicContact CZ-CD2 4.02Å; F480-Y484 VanDerWaalsContact O-CB 3.28Å; F480-Y484 WeakPolarHBondContact O-CB 3.27Å; F480-Y484 PolarHBondContact O-N 3.45Å |
| 481 | A | 65.9 | Low | 63.7 | Low | 58 Ų | 58 | 104.8 Ų | 104.8 | 48% | 0.479 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.1 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y484 D485 | A481-Y484 PolarHBondContact O-N 3.28Å; A481-D485 WeakPolarHBondContact O-CB 3.45Å; A481-D485 PolarHBondContact O-N 2.95Å |
| 482 | E | 65.4 | Low | 63.5 | Low | 151 Ų | 151 | 108.6 Ų | 108.6 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.1 | -37.5 | 176.1 | -69.3 | 164 | 165 | 0 | 0 | 111.8 | F480 A486 | F480-E482 VanDerWaalsContact C-N 3.33Å; F480-E482 PolarHBondContact O-N 3.13Å; E482-A486 VanDerWaalsContact O-CB 3.3Å; E482-A486 WeakPolarHBondContact O-CB 3.49Å; E482-A486 PolarHBondContact O-N 3.3Å |
| 483 | S | 67.5 | Low | 63 | Low | 53 Ų | 53 | 111.2 Ų | 111.2 | 37% | 0.371 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.2 | -30.4 | 175 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | G479 F480 M487 | G479-S483 VanDerWaalsContact O-CB 3.27Å; G479-S483 WeakPolarHBondContact O-CB 3.13Å; G479-S483 PolarHBondContact O-N 3.46Å; G479-S483 PolarHBondContact O-OG 3.32Å; F480-S483 WeakPolarHBondContact CA-OG 3.3Å; F480-S483 CarbonylContact O-C 3.55Å; F480-S483 PolarHBondContact O-N 2.87Å; F480-S483 PolarHBondContact O-OG 3.1Å; S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 WeakPolarHBondContact O-CG 3.14Å; S483-M487 PolarHBondContact O-N 3.42Å |
| 484 | Y | 64.3 | Low | 62.5 | Low | 162 Ų | 162 | 105.2 Ų | 105.2 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -79.6 | -33 | 178.7 | -154.6 | -88.8 | 0 | 0 | 0 | 111.5 | F480 A481 G488 | F480-Y484 HydrophobicContact CE1-CD2 4.11Å; F480-Y484 HydrophobicContact CZ-CD2 4.02Å; F480-Y484 VanDerWaalsContact O-CB 3.28Å; F480-Y484 WeakPolarHBondContact O-CB 3.27Å; F480-Y484 PolarHBondContact O-N 3.45Å; A481-Y484 PolarHBondContact O-N 3.28Å; Y484-G488 WeakPolarHBondContact O-CA 3.44Å; Y484-G488 PolarHBondContact O-N 3.42Å |
| 485 | D | 61.9 | Low | 61.8 | Low | 105 Ų | 105 | 107.7 Ų | 107.7 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.6 | -43.9 | 168.4 | -155.4 | 35.2 | 0 | 0 | 0 | 110.1 | A481 M487 G488 D489 | A481-D485 WeakPolarHBondContact O-CB 3.45Å; A481-D485 PolarHBondContact O-N 2.95Å; D485-M487 PolarHBondContact O-N 3.11Å; D485-G488 PolarHBondContact O-N 3.5Å; D485-D489 VanDerWaalsContact O-CB 3.27Å; D485-D489 WeakPolarHBondContact O-CB 3.35Å; D485-D489 PolarHBondContact O-N 2.89Å |
| 486 | A | 61.9 | Low | 61.3 | Low | 72 Ų | 72 | 107.7 Ų | 107.7 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -26 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E482 | E482-A486 VanDerWaalsContact O-CB 3.3Å; E482-A486 WeakPolarHBondContact O-CB 3.49Å; E482-A486 PolarHBondContact O-N 3.3Å |
| 487 | M | 60.6 | Low | 61 | Low | 161 Ų | 161 | 109 Ų | 109 | 79% | 0.793 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -89 | -18.4 | 174.5 | -67.5 | -88.5 | -74.1 | 0 | 0 | 112.3 | S483 D485 | S483-M487 WeakPolarHBondContact O-CB 3.46Å; S483-M487 WeakPolarHBondContact O-CG 3.14Å; S483-M487 PolarHBondContact O-N 3.42Å; D485-M487 PolarHBondContact O-N 3.11Å |
| 488 | G | 57.3 | Low | 60.5 | Low | 53 Ų | 53 | 111 Ų | 111 | 55% | 0.546 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -94.4 | -14.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y484 D485 S490 | Y484-G488 WeakPolarHBondContact O-CA 3.44Å; Y484-G488 PolarHBondContact O-N 3.42Å; D485-G488 PolarHBondContact O-N 3.5Å; G488-S490 VanDerWaalsContact C-N 3.28Å |
| 489 | D | 53 | Low | 60.4 | Low | 132 Ų | 132 | 110.1 Ų | 110.1 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -91 | 13.7 | 174.1 | -155.5 | 33.7 | 0 | 0 | 0 | 112.5 | D485 | D485-D489 VanDerWaalsContact O-CB 3.27Å; D485-D489 WeakPolarHBondContact O-CB 3.35Å; D485-D489 PolarHBondContact O-N 2.89Å |
| 490 | S | 51.7 | Low | 59.9 | Low | 100 Ų | 100 | 116.2 Ų | 116.2 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | trans | -116.9 | 35.3 | 174 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | G488 | G488-S490 VanDerWaalsContact C-N 3.28Š| ||
| 491 | D | 51.6 | Low | 59.6 | Low | 121 Ų | 121 | 117 Ų | 117 | 65% | 0.647 | 64% | 0.642 | S | S | * | * | trans | -129.2 | 72.4 | 161.8 | -161 | 14.8 | 0 | 0 | 0 | 107.7 | E493 | D491-E493 PolarHBondContact O-N 2.77Š| ||
| 492 | D | 55.9 | Low | 58.6 | Low | 149 Ų | 149 | 117 Ų | 117 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | trans | -59.5 | 77 | 155.4 | -68.5 | -33.2 | 0 | 0 | 0 | 107.1 | A494 | D492-A494 VanDerWaalsContact C-N 3.34Å; D492-A494 PolarHBondContact O-N 3.26Å | ||
| 493 | E | 51.7 | Low | 58.1 | Low | 158 Ų | 158 | 116.9 Ų | 116.9 | 74% | 0.738 | 65% | 0.652 | S | S | * | * | trans | -53.6 | 109.8 | 160.9 | -83.5 | -164.8 | 166.3 | 0 | 0 | 105 | D491 D495 | D491-E493 PolarHBondContact O-N 2.77Å; E493-D495 PolarHBondContact O-N 3.27Å | ||
| 494 | A | 58.1 | Low | 57.5 | Low | 56 Ų | 56 | 122.5 Ų | 122.5 | 46% | 0.463 | 67% | 0.67 | S | S | . | * | trans | -50.5 | 110.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | D492 F496 | D492-A494 VanDerWaalsContact C-N 3.34Å; D492-A494 PolarHBondContact O-N 3.26Å; A494-F496 HydrophobicContact CB-CD2 4.42Å; A494-F496 HydrophobicContact CB-CE1 4.26Å; A494-F496 HydrophobicContact CB-CE2 3.87Å; A494-F496 HydrophobicContact CB-CZ 3.77Å; A494-F496 WeakPolarHBondContact O-CD2 3.4Å; A494-F496 VanDerWaalsContact O-CE2 3.3Å; A494-F496 WeakPolarHBondContact O-CE2 2.97Å; A494-F496 WeakPolarHBondContact O-CG 3.47Å; A494-F496 PolarHBondContact O-N 3.19Å | ||
| 495 | D | 55 | Low | 57.1 | Low | 101 Ų | 101 | 124.3 Ų | 124.3 | 54% | 0.54 | 68% | 0.681 | S | S | . | * | trans | -66.4 | 84.3 | -179.3 | -175.8 | 10.4 | 0 | 0 | 0 | 108.9 | E493 S497 K498 | E493-D495 PolarHBondContact O-N 3.27Å; D495-S497 PolarHBondContact O-N 3.44Å; D495-S497 VanDerWaalsContact O-N 3.13Å; D495-S497 WeakPolarHBondContact OD1-CB 3.3Å; D495-S497 PolarHBondContact OD1-N 3.07Å; D495-K498 PolarHBondContact O-N 2.86Å | ||
| 496 | F | 60.6 | Low | 57.3 | Low | 144 Ų | 144 | 121.9 Ų | 121.9 | 63% | 0.632 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -66.6 | -8.5 | 178.6 | -64.2 | -76.6 | 0 | 0 | 0 | 111.7 | A494 K498 M499 | A494-F496 HydrophobicContact CB-CD2 4.42Å; A494-F496 HydrophobicContact CB-CE1 4.26Å; A494-F496 HydrophobicContact CB-CE2 3.87Å; A494-F496 HydrophobicContact CB-CZ 3.77Å; A494-F496 WeakPolarHBondContact O-CD2 3.4Å; A494-F496 VanDerWaalsContact O-CE2 3.3Å; A494-F496 WeakPolarHBondContact O-CE2 2.97Å; A494-F496 WeakPolarHBondContact O-CG 3.47Å; A494-F496 PolarHBondContact O-N 3.19Å; F496-K498 PolarHBondContact O-N 2.87Å; F496-M499 HydrophobicContact CD1-CE 3.13Å; F496-M499 HydrophobicContact CD1-CG 4.4Å; F496-M499 HydrophobicContact CE1-CE 3.1Å; F496-M499 HydrophobicContact CG-CE 4.37Å; F496-M499 HydrophobicContact CZ-CE 4.33Å; F496-M499 PolarHBondContact O-N 2.84Å |
| 497 | S | 68.1 | Low | 57.7 | Low | 111 Ų | 111 | 124.5 Ų | 124.5 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -65.1 | -24.8 | 174 | -162.2 | 0 | 0 | 0 | 0 | 112.2 | D495 | D495-S497 PolarHBondContact O-N 3.44Å; D495-S497 VanDerWaalsContact O-N 3.13Å; D495-S497 WeakPolarHBondContact OD1-CB 3.3Å; D495-S497 PolarHBondContact OD1-N 3.07Å |
| 498 | K | 60.7 | Low | 58.2 | Low | 183 Ų | 183 | 119.7 Ų | 119.7 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -106.8 | 2.1 | 175.4 | -66.9 | -168.6 | -178 | 169.3 | 0 | 114.5 | D495 F496 D500 | D495-K498 PolarHBondContact O-N 2.86Å; F496-K498 PolarHBondContact O-N 2.87Å; K498-D500 PolarHBondContact O-N 3.24Å |
| 499 | M | 62.1 | Low | 59.3 | Low | 110 Ų | 110 | 117.9 Ų | 117.9 | 54% | 0.542 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -77.7 | 107.5 | 171.2 | -78.4 | -128.1 | -95.8 | 0 | 0 | 109.7 | F496 L501 | F496-M499 HydrophobicContact CD1-CE 3.13Å; F496-M499 HydrophobicContact CD1-CG 4.4Å; F496-M499 HydrophobicContact CE1-CE 3.1Å; F496-M499 HydrophobicContact CG-CE 4.37Å; F496-M499 HydrophobicContact CZ-CE 4.33Å; F496-M499 PolarHBondContact O-N 2.84Å; M499-L501 PolarHBondContact O-N 2.7Å |
| 500 | D | 56.1 | Low | 60.7 | Low | 158 Ų | 158 | 119.2 Ų | 119.2 | 85% | 0.845 | 65% | 0.648 | S | S | * | * | trans | -44.5 | 116.1 | 166.2 | -164.4 | 3.4 | 0 | 0 | 0 | 108.2 | K498 G502 | K498-D500 PolarHBondContact O-N 3.24Å; D500-G502 PolarHBondContact O-N 3.43Å | ||
| 501 | L | 61.9 | Low | 62.1 | Low | 118 Ų | 118 | 124.6 Ų | 124.6 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | trans | -69.6 | 68 | -174.9 | -70.7 | 162.3 | 0 | 0 | 0 | 109.1 | M499 N503 K504 | M499-L501 PolarHBondContact O-N 2.7Å; L501-N503 PolarHBondContact O-N 3.09Å; L501-K504 HydrophobicContact CD2-CD 3.86Å | ||
| 502 | G | 46.3 | Very low | 63.6 | Low | 59 Ų | 59 | 122.5 Ų | 122.5 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 105.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110 | D500 K504 | D500-G502 PolarHBondContact O-N 3.43Å; G502-K504 PolarHBondContact O-N 3.12Å; G502-K504 VanDerWaalsContact O-N 3.15Å |
| 503 | N | 53.5 | Low | 65.1 | Low | 148 Ų | 148 | 117.6 Ų | 117.6 | 79% | 0.791 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 45.1 | 48.5 | 164 | -62.2 | -16.6 | 0 | 0 | 0 | 116.9 | L501 K505 | L501-N503 PolarHBondContact O-N 3.09Å; N503-K505 PolarHBondContact O-N 3.42Å |
| 504 | K | 55.9 | Low | 66.5 | Low | 172 Ų | 172 | 119.3 Ų | 119.3 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | trans | -67.5 | 64.4 | 164.4 | -57 | -173.8 | -179.3 | 178.1 | 0 | 111.1 | L501 G502 | L501-K504 HydrophobicContact CD2-CD 3.86Å; G502-K504 PolarHBondContact O-N 3.12Å; G502-K504 VanDerWaalsContact O-N 3.15Å | ||
| 505 | K | 55.4 | Low | 67.7 | Low | 200 Ų | 200 | 120 Ų | 120 | 87% | 0.87 | 62% | 0.62 | S | S | * | * | trans | -106 | 30.6 | 176 | -86.9 | -177 | 171.3 | 175.9 | 0 | 111.4 | N503 | N503-K505 PolarHBondContact O-N 3.42Š| ||
| 506 | G | 65.6 | Low | 69 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 56% | 0.557 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -93.4 | 147.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V508 | G506-V508 PolarHBondContact O-N 3.47Š|
| 507 | P | 70.5 | Confident | 70 | Confident | 126 Ų | 126 | 119.7 Ų | 119.7 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 123 | 168.7 | -10.4 | 24.3 | 0 | 0 | 0 | 108.9 | G509 | P507-G509 PolarHBondContact O-N 2.89Š|
| 508 | V | 72.2 | Confident | 70.8 | Confident | 60 Ų | 60 | 118.8 Ų | 118.8 | 36% | 0.364 | 60% | 0.601 | S | S | . | * | P | Polyproline II helix | trans | -60 | 120.6 | 179.3 | -171.1 | 0 | 0 | 0 | 0 | 109.5 | G506 D512 F513 Y522 | G506-V508 PolarHBondContact O-N 3.47Å; V508-D512 VanDerWaalsContact CA-OD2 3.28Å; V508-D512 WeakPolarHBondContact CA-OD2 3.42Å; V508-D512 HydrophobicContact CG1-CB 3.69Å; V508-F513 HydrophobicContact CG1-CE2 3.49Å; V508-F513 VanDerWaalsContact CG1-CE2 3.49Å; V508-F513 HydrophobicContact CG1-CZ 3.54Å; V508-Y522 HydrophobicContact CB-CE1 4.11Å; V508-Y522 HydrophobicContact CB-CE2 4.46Å; V508-Y522 HydrophobicContact CG1-CE1 4.25Å |
| 509 | G | 78.8 | Confident | 72.1 | Confident | 16 Ų | 16 | 112.7 Ų | 112.7 | 17% | 0.165 | 57% | 0.574 | C | S | . | * | trans | -106.3 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P507 W511 D512 F513 | P507-G509 PolarHBondContact O-N 2.89Å; G509-W511 PolarHBondContact O-N 2.85Å; G509-W511 VanDerWaalsContact O-N 3.1Å; G509-D512 PolarHBondContact N-OD2 3Å; G509-D512 PolarHBondContact O-N 3.27Å; G509-D512 VanDerWaalsContact O-N 3.12Å; G509-F513 WeakPolarHBondContact O-CD2 3.32Å; G509-F513 WeakPolarHBondContact O-CE2 2.9Å | ||
| 510 | R | 82.5 | Confident | 73.1 | Confident | 160 Ų | 160 | 110.5 Ų | 110.5 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -58 | -25.4 | 179.1 | -178.8 | 175.7 | 176.9 | -94 | -4.5 | 114 | Q516 Y519 | R510-Q516 VanDerWaalsContact CZ-OE1 3.32Å; R510-Y519 HydrophobicContact CB-CD1 4.38Å; R510-Y519 HydrophobicContact CB-CD2 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.14Å; R510-Y519 HydrophobicContact CB-CE2 3.95Å; R510-Y519 HydrophobicContact CB-CG 4.38Å; R510-Y519 HydrophobicContact CG-CD1 4.05Å; R510-Y519 HydrophobicContact CG-CE1 4.15Å; R510-Y519 HydrophobicContact CG-CG 4.2Å |
| 511 | W | 81 | Confident | 74.5 | Confident | 213 Ų | 213 | 107.6 Ų | 107.6 | 81% | 0.807 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -87.8 | -5.3 | -176.8 | 53.1 | -85.4 | 0 | 0 | 0 | 113.4 | G509 | G509-W511 PolarHBondContact O-N 2.85Å; G509-W511 VanDerWaalsContact O-N 3.1Å |
| 512 | D | 83.8 | Confident | 75.7 | Confident | 77 Ų | 77 | 105.1 Ų | 105.1 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -83.8 | 2.2 | 173.4 | -65.5 | -50.3 | 0 | 0 | 0 | 112.6 | V508 G509 | V508-D512 VanDerWaalsContact CA-OD2 3.28Å; V508-D512 WeakPolarHBondContact CA-OD2 3.42Å; V508-D512 HydrophobicContact CG1-CB 3.69Å; G509-D512 PolarHBondContact N-OD2 3Å; G509-D512 PolarHBondContact O-N 3.27Å; G509-D512 VanDerWaalsContact O-N 3.12Å |
| 513 | F | 87.3 | Confident | 77.4 | Confident | 46 Ų | 46 | 106.9 Ų | 106.9 | 20% | 0.202 | 53% | 0.53 | C | S | . | . | trans | -121.3 | 136 | -179.5 | -59.4 | -82.6 | 0 | 0 | 0 | 110.1 | V508 G509 T515 E518 Y519 Y522 | V508-F513 HydrophobicContact CG1-CE2 3.49Å; V508-F513 VanDerWaalsContact CG1-CE2 3.49Å; V508-F513 HydrophobicContact CG1-CZ 3.54Å; G509-F513 WeakPolarHBondContact O-CD2 3.32Å; G509-F513 WeakPolarHBondContact O-CE2 2.9Å; F513-T515 VanDerWaalsContact C-N 3.27Å; F513-E518 HydrophobicContact CB-CB 4.14Å; F513-E518 HydrophobicContact CD1-CB 3.96Å; F513-E518 HydrophobicContact CG-CB 4.4Å; F513-Y519 AromaticContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CG 4.16Å; F513-Y519 AromaticContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CE2 4.44Å; F513-Y522 HydrophobicContact CE1-CD2 4.28Å; F513-Y522 AromaticContact CE1-CG 3.93Å; F513-Y522 HydrophobicContact CE1-CG 3.93Å; F513-Y522 AromaticContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CE1 4.35Å; F513-Y522 AromaticContact CE2-CG 3.96Å; F513-Y522 HydrophobicContact CE2-CG 3.96Å; F513-Y522 VanDerWaalsContact CZ-CB 3.4Å; F513-Y522 AromaticContact CZ-CD1 3.49Å; F513-Y522 HydrophobicContact CZ-CD1 3.49Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.49Å; F513-Y522 AromaticContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CE1 4.18Å; F513-Y522 HydrophobicContact CZ-CE2 4.33Å; F513-Y522 AromaticContact CZ-CG 3.22Å; F513-Y522 HydrophobicContact CZ-CG 3.22Å | ||
| 514 | E | 82.2 | Confident | 78.7 | Confident | 194 Ų | 194 | 104.6 Ų | 104.6 | 91% | 0.907 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -72.3 | -28.7 | 177.4 | -67.5 | -176.4 | 172.6 | 0 | 0 | 111.1 | ||
| 515 | T | 82.5 | Confident | 79.9 | Confident | 70 Ų | 70 | 103 Ų | 103 | 43% | 0.429 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -121.6 | 138.6 | -176 | -19.2 | 0 | 0 | 0 | 0 | 111.7 | F513 E517 E518 Y519 | F513-T515 VanDerWaalsContact C-N 3.27Å; T515-E517 HydrophobicContact CG2-CB 4.37Å; T515-E517 PolarHBondContact O-N 3.44Å; T515-E518 PolarHBondContact N-OE2 3.17Å; T515-E518 WeakPolarHBondContact O-CB 3.2Å; T515-E518 PolarHBondContact O-N 3.22Å; T515-E518 PolarHBondContact OG1-OE2 2.8Å; T515-Y519 PolarHBondContact O-N 3.44Å; T515-Y519 VanDerWaalsContact O-N 3.12Å |
| 516 | Q | 83.1 | Confident | 80.9 | Confident | 92 Ų | 92 | 99 Ų | 99 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -28.8 | 173.3 | 176.2 | 60.9 | 62.3 | 0 | 0 | 112.2 | R510 S520 | R510-Q516 VanDerWaalsContact CZ-OE1 3.32Å; Q516-S520 PolarHBondContact O-N 3.21Å; Q516-S520 VanDerWaalsContact O-N 3.09Å |
| 517 | E | 81.6 | Confident | 81 | Confident | 146 Ų | 146 | 104.9 Ų | 104.9 | 68% | 0.682 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -43.6 | 176 | -160.1 | 166.6 | -153.6 | 0 | 0 | 110.9 | T515 Y519 S520 D521 | T515-E517 HydrophobicContact CG2-CB 4.37Å; T515-E517 PolarHBondContact O-N 3.44Å; E517-Y519 PolarHBondContact O-N 2.8Å; E517-S520 CarbonylContact O-C 3.55Å; E517-S520 WeakPolarHBondContact O-CA 3.37Å; E517-S520 WeakPolarHBondContact O-CB 3.31Å; E517-S520 PolarHBondContact O-N 3.13Å; E517-S520 VanDerWaalsContact O-N 3.07Å; E517-D521 PolarHBondContact O-N 3.24Å |
| 518 | E | 84.6 | Confident | 80.5 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 172 | -111 | -179.5 | 155.4 | 0 | 0 | 113 | F513 T515 S520 D521 Y522 | F513-E518 HydrophobicContact CB-CB 4.14Å; F513-E518 HydrophobicContact CD1-CB 3.96Å; F513-E518 HydrophobicContact CG-CB 4.4Å; T515-E518 PolarHBondContact N-OE2 3.17Å; T515-E518 WeakPolarHBondContact O-CB 3.2Å; T515-E518 PolarHBondContact O-N 3.22Å; T515-E518 PolarHBondContact OG1-OE2 2.8Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.29Å; E518-D521 PolarHBondContact O-N 3.35Å; E518-Y522 WeakPolarHBondContact O-CB 3.43Å; E518-Y522 PolarHBondContact O-N 3.05Å |
| 519 | Y | 87.6 | Confident | 80 | Confident | 56 Ų | 56 | 106.6 Ų | 106.6 | 22% | 0.22 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 174 | 177.2 | -111.7 | 0 | 0 | 0 | 111.8 | R510 F513 T515 E517 M523 | R510-Y519 HydrophobicContact CB-CD1 4.38Å; R510-Y519 HydrophobicContact CB-CD2 4.19Å; R510-Y519 HydrophobicContact CB-CE1 4.14Å; R510-Y519 HydrophobicContact CB-CE2 3.95Å; R510-Y519 HydrophobicContact CB-CG 4.38Å; R510-Y519 HydrophobicContact CG-CD1 4.05Å; R510-Y519 HydrophobicContact CG-CE1 4.15Å; R510-Y519 HydrophobicContact CG-CG 4.2Å; F513-Y519 AromaticContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CD2 3.54Å; F513-Y519 HydrophobicContact CD2-CG 4.16Å; F513-Y519 AromaticContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CD2 3.64Å; F513-Y519 HydrophobicContact CE2-CE2 4.44Å; T515-Y519 PolarHBondContact O-N 3.44Å; T515-Y519 VanDerWaalsContact O-N 3.12Å; E517-Y519 PolarHBondContact O-N 2.8Å; Y519-M523 HydrophobicContact CD2-CG 4.3Å; Y519-M523 HydrophobicContact CE1-CG 4.17Å; Y519-M523 HydrophobicContact CE2-CG 3.92Å; Y519-M523 HydrophobicContact CE2-SD 4.22Å; Y519-M523 WeakPolarHBondContact O-CB 3.45Å; Y519-M523 WeakPolarHBondContact O-CG 3.35Å; Y519-M523 PolarHBondContact O-N 3.1Å |
| 520 | S | 83.7 | Confident | 79.2 | Confident | 63 Ų | 63 | 109.8 Ų | 109.8 | 44% | 0.441 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | 176.1 | -86.5 | 0 | 0 | 0 | 0 | 112.1 | Q516 E517 E518 M523 S524 | Q516-S520 PolarHBondContact O-N 3.21Å; Q516-S520 VanDerWaalsContact O-N 3.09Å; E517-S520 CarbonylContact O-C 3.55Å; E517-S520 WeakPolarHBondContact O-CA 3.37Å; E517-S520 WeakPolarHBondContact O-CB 3.31Å; E517-S520 PolarHBondContact O-N 3.13Å; E517-S520 VanDerWaalsContact O-N 3.07Å; E518-S520 VanDerWaalsContact C-N 3.3Å; E518-S520 PolarHBondContact O-N 3.29Å; S520-M523 PolarHBondContact O-N 3.12Å; S520-S524 VanDerWaalsContact O-CB 3.31Å; S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.36Å |
| 521 | D | 85.4 | Confident | 78 | Confident | 98 Ų | 98 | 111.2 Ų | 111.2 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -41.2 | 175.2 | -74.5 | -14.1 | 0 | 0 | 0 | 111.6 | E517 E518 M523 S524 N525 | E517-D521 PolarHBondContact O-N 3.24Å; E518-D521 PolarHBondContact O-N 3.35Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.1Å; D521-S524 PolarHBondContact O-N 2.68Å; D521-N525 WeakPolarHBondContact O-CB 3.45Å; D521-N525 PolarHBondContact O-N 2.9Å |
| 522 | Y | 85.3 | Confident | 76.7 | Confident | 66 Ų | 66 | 104.4 Ų | 104.4 | 26% | 0.259 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.4 | -42.8 | 172.3 | 170.6 | -103.2 | 0 | 0 | 0 | 112.2 | V508 F513 E518 S524 K526 | V508-Y522 HydrophobicContact CB-CE1 4.11Å; V508-Y522 HydrophobicContact CB-CE2 4.46Å; V508-Y522 HydrophobicContact CG1-CE1 4.25Å; F513-Y522 HydrophobicContact CE1-CD2 4.28Å; F513-Y522 AromaticContact CE1-CG 3.93Å; F513-Y522 HydrophobicContact CE1-CG 3.93Å; F513-Y522 AromaticContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CD1 3.76Å; F513-Y522 HydrophobicContact CE2-CE1 4.35Å; F513-Y522 AromaticContact CE2-CG 3.96Å; F513-Y522 HydrophobicContact CE2-CG 3.96Å; F513-Y522 VanDerWaalsContact CZ-CB 3.4Å; F513-Y522 AromaticContact CZ-CD1 3.49Å; F513-Y522 HydrophobicContact CZ-CD1 3.49Å; F513-Y522 VanDerWaalsContact CZ-CD1 3.49Å; F513-Y522 AromaticContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CD2 3.68Å; F513-Y522 HydrophobicContact CZ-CE1 4.18Å; F513-Y522 HydrophobicContact CZ-CE2 4.33Å; F513-Y522 AromaticContact CZ-CG 3.22Å; F513-Y522 HydrophobicContact CZ-CG 3.22Å; E518-Y522 WeakPolarHBondContact O-CB 3.43Å; E518-Y522 PolarHBondContact O-N 3.05Å; Y522-S524 VanDerWaalsContact C-N 3.34Å; Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CB 3.47Å; Y522-K526 PolarHBondContact O-N 3.23Å; Y522-K526 VanDerWaalsContact O-N 3.17Å; Y522-K526 PolarHBondContact OH-NZ 2.77Å |
| 523 | M | 83.7 | Confident | 75.3 | Confident | 96 Ų | 96 | 104 Ų | 104 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -71.2 | -29.8 | 177.5 | -71.2 | -66.4 | -71.1 | 0 | 0 | 112.5 | Y519 S520 D521 | Y519-M523 HydrophobicContact CD2-CG 4.3Å; Y519-M523 HydrophobicContact CE1-CG 4.17Å; Y519-M523 HydrophobicContact CE2-CG 3.92Å; Y519-M523 HydrophobicContact CE2-SD 4.22Å; Y519-M523 WeakPolarHBondContact O-CB 3.45Å; Y519-M523 WeakPolarHBondContact O-CG 3.35Å; Y519-M523 PolarHBondContact O-N 3.1Å; S520-M523 PolarHBondContact O-N 3.12Å; D521-M523 VanDerWaalsContact C-N 3.33Å; D521-M523 PolarHBondContact O-N 3.1Å |
| 524 | S | 80.9 | Confident | 73.8 | Confident | 99 Ų | 99 | 108.5 Ų | 108.5 | 69% | 0.692 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -77.9 | -38.5 | 177.4 | -168.6 | 0 | 0 | 0 | 0 | 112.6 | S520 D521 Y522 K526 | S520-S524 VanDerWaalsContact O-CB 3.31Å; S520-S524 WeakPolarHBondContact O-CB 3.38Å; S520-S524 PolarHBondContact O-N 3.36Å; D521-S524 PolarHBondContact O-N 2.68Å; Y522-S524 VanDerWaalsContact C-N 3.34Å; S524-K526 PolarHBondContact O-N 3.25Å |
| 525 | N | 80.7 | Confident | 72.5 | Confident | 138 Ų | 138 | 107 Ų | 107 | 74% | 0.738 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -79.1 | -5.1 | 174.7 | -83 | 6.3 | 0 | 0 | 0 | 113.3 | D521 E527 | D521-N525 WeakPolarHBondContact O-CB 3.45Å; D521-N525 PolarHBondContact O-N 2.9Å; N525-E527 PolarHBondContact O-N 2.74Å |
| 526 | K | 76.2 | Confident | 70.8 | Confident | 117 Ų | 117 | 114.4 Ų | 114.4 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | trans | -72.6 | 81.2 | 173.7 | -142 | 178.7 | -172.9 | 168.7 | 0 | 108.8 | Y522 S524 A528 | Y522-K526 HydrophobicContact CE1-CD 4.43Å; Y522-K526 WeakPolarHBondContact O-CB 3.47Å; Y522-K526 PolarHBondContact O-N 3.23Å; Y522-K526 VanDerWaalsContact O-N 3.17Å; Y522-K526 PolarHBondContact OH-NZ 2.77Å; S524-K526 PolarHBondContact O-N 3.25Å; K526-A528 PolarHBondContact O-N 2.97Å; K526-A528 VanDerWaalsContact O-N 3.1Å | ||
| 527 | E | 67.1 | Low | 69.2 | Low | 177 Ų | 177 | 113.6 Ų | 113.6 | 83% | 0.827 | 61% | 0.609 | S | S | * | * | trans | -49.2 | 119.9 | 173.5 | -114.4 | -179.2 | 175.5 | 0 | 0 | 108.8 | N525 L529 | N525-E527 PolarHBondContact O-N 2.74Å; E527-L529 PolarHBondContact O-N 2.85Å | ||
| 528 | A | 60.5 | Low | 67.9 | Low | 98 Ų | 98 | 112.1 Ų | 112.1 | 81% | 0.81 | 61% | 0.61 | S | S | * | * | trans | -68.7 | 85.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K526 P530 | K526-A528 PolarHBondContact O-N 2.97Å; K526-A528 VanDerWaalsContact O-N 3.1Å; A528-P530 WeakPolarHBondContact O-CD 3.28Å | ||
| 529 | L | 61.6 | Low | 66.7 | Low | 125 Ų | 125 | 117.3 Ų | 117.3 | 65% | 0.654 | 63% | 0.631 | S | S | * | * | trans | -55 | 123.6 | 166.6 | -85.8 | 155.4 | 0 | 0 | 0 | 108.1 | E527 K531 F534 | E527-L529 PolarHBondContact O-N 2.85Å; L529-K531 PolarHBondContact O-N 2.99Å; L529-F534 HydrophobicContact CB-CE2 4.16Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD2-CE2 3.88Å; L529-F534 HydrophobicContact CD2-CZ 4.18Å; L529-F534 HydrophobicContact CG-CE2 4.4Å | ||
| 530 | P | 61.5 | Low | 65 | Low | 82 Ų | 82 | 123.1 Ų | 123.1 | 53% | 0.532 | 66% | 0.662 | S | S | . | * | trans | -57.3 | 115.4 | -178.5 | -22.1 | 30.6 | 0 | 0 | 0 | 109.2 | A528 A532 A533 | A528-P530 WeakPolarHBondContact O-CD 3.28Å; P530-A532 PolarHBondContact O-N 3.15Å; P530-A533 HydrophobicContact CB-CB 4.07Å; P530-A533 WeakPolarHBondContact O-CB 3.42Å; P530-A533 PolarHBondContact O-N 2.72Å | ||
| 531 | K | 58.6 | Low | 63.4 | Low | 191 Ų | 191 | 125 Ų | 125 | 83% | 0.83 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -20.7 | -179.9 | -146.1 | 164.8 | -176.4 | 172.9 | 0 | 112.2 | L529 | L529-K531 PolarHBondContact O-N 2.99Š|
| 532 | A | 53.7 | Low | 61.2 | Low | 70 Ų | 70 | 128.3 Ų | 128.3 | 58% | 0.579 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -25.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.4 | P530 F534 Q535 | P530-A532 PolarHBondContact O-N 3.15Å; A532-F534 VanDerWaalsContact C-N 3.28Å; A532-F534 PolarHBondContact O-N 3.37Å; A532-Q535 PolarHBondContact O-N 3.15Å; A532-Q535 VanDerWaalsContact O-N 3.15Å |
| 533 | A | 52.9 | Low | 59.2 | Low | 67 Ų | 67 | 128.3 Ų | 128.3 | 55% | 0.554 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -23.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | P530 | P530-A533 HydrophobicContact CB-CB 4.07Å; P530-A533 WeakPolarHBondContact O-CB 3.42Å; P530-A533 PolarHBondContact O-N 2.72Å |
| 534 | F | 55.6 | Low | 57.1 | Low | 142 Ų | 142 | 134.7 Ų | 134.7 | 62% | 0.623 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -1.4 | 173.5 | -65 | -80 | 0 | 0 | 0 | 113.7 | L529 A532 | L529-F534 HydrophobicContact CB-CE2 4.16Å; L529-F534 HydrophobicContact CD1-CE2 4.48Å; L529-F534 HydrophobicContact CD2-CE2 3.88Å; L529-F534 HydrophobicContact CD2-CZ 4.18Å; L529-F534 HydrophobicContact CG-CE2 4.4Å; A532-F534 VanDerWaalsContact C-N 3.28Å; A532-F534 PolarHBondContact O-N 3.37Å |
| 535 | Q | 56 | Low | 55.5 | Low | 163 Ų | 163 | 140.2 Ų | 140.2 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -12.9 | -177.7 | -155.9 | 166.4 | -2.3 | 0 | 0 | 112.5 | A532 | A532-Q535 PolarHBondContact O-N 3.15Å; A532-Q535 VanDerWaalsContact O-N 3.15Å |
| 536 | Y | 45.9 | Very low | 53.9 | Low | 225 Ų | 225 | 140.1 Ų | 140.1 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -100.3 | 83.4 | 174.3 | -155.7 | -93.9 | 0 | 0 | 0 | 109.8 | ||
| 537 | G | 50.5 | Low | 52.3 | Low | 75 Ų | 75 | 145.5 Ų | 145.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 149.2 | -12 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 538 | V | 54.5 | Low | 51.5 | Low | 115 Ų | 115 | 148.8 Ų | 148.8 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | trans | -103.4 | 99.7 | 179.3 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | M540 | V538-M540 PolarHBondContact O-N 2.98Å; V538-M540 VanDerWaalsContact O-N 3.14Å | ||
| 539 | K | 58.4 | Low | 51.1 | Low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | trans | -52.9 | 112.2 | 170.2 | -174.6 | 175 | 176.5 | 177.6 | 0 | 109 | A541 | K539-A541 PolarHBondContact O-N 3.14Š| ||
| 540 | M | 51.7 | Low | 50.7 | Low | 178 Ų | 178 | 146 Ų | 146 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | trans | -56.8 | 106.2 | 179.2 | -67.5 | -76.1 | -83.8 | 0 | 0 | 109.7 | V538 D542 | V538-M540 PolarHBondContact O-N 2.98Å; V538-M540 VanDerWaalsContact O-N 3.14Å; M540-D542 PolarHBondContact O-N 3.43Å | ||
| 541 | A | 50.1 | Low | 50.5 | Low | 101 Ų | 101 | 147.4 Ų | 147.4 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -74.1 | 88.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | K539 G543 | K539-A541 PolarHBondContact O-N 3.14Å; A541-G543 PolarHBondContact O-N 3.36Å | ||
| 542 | D | 40.5 | Very low | 50.6 | Low | 168 Ų | 168 | 146.9 Ų | 146.9 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -42.9 | 125.3 | 158 | -171.5 | 14.9 | 0 | 0 | 0 | 109.8 | M540 | M540-D542 PolarHBondContact O-N 3.43Š| ||
| 543 | G | 42.9 | Very low | 51.2 | Low | 67 Ų | 67 | 148.4 Ų | 148.4 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | trans | 112.5 | 41.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | A541 | A541-G543 PolarHBondContact O-N 3.36Š| ||
| 544 | R | 39.1 | Very low | 52.3 | Low | 230 Ų | 230 | 150 Ų | 150 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | -140.6 | 86.3 | 160.5 | -126.6 | 174.9 | -175.2 | -177.6 | 2.7 | 114.1 | T546 | R544-T546 PolarHBondContact O-N 3.39Š| ||
| 545 | R | 47.7 | Very low | 53.5 | Low | 214 Ų | 214 | 150.7 Ų | 150.7 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -53.5 | 124.4 | 163.6 | -78.6 | 172.9 | 112 | -171 | -0.9 | 109.3 | E554 | R545-E554 IonicContact NH1-OE1 3.83Å; R545-E554 IonicContact NH2-OE1 3.6Å | ||
| 546 | T | 46.5 | Very low | 54.7 | Low | 137 Ų | 137 | 145.1 Ų | 145.1 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | -72.1 | 130.1 | 175.7 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | R544 R548 | R544-T546 PolarHBondContact O-N 3.39Å; T546-R548 PolarHBondContact O-N 3.03Å | ||
| 547 | R | 43.4 | Very low | 56.5 | Low | 230 Ų | 230 | 138.6 Ų | 138.6 | 87% | 0.868 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -42.1 | 123.3 | 173 | -57.6 | 171.9 | -173.9 | -158.4 | -0.1 | 111.5 | ||
| 548 | R | 50.5 | Low | 58.3 | Low | 246 Ų | 246 | 140.4 Ų | 140.4 | 93% | 0.928 | 71% | 0.706 | S | S | * | * | trans | 165.1 | 7.8 | 150.2 | -78.6 | -113.2 | -173 | -170.4 | 1.4 | 114.1 | T546 | T546-R548 PolarHBondContact O-N 3.03Š| ||
| 549 | I | 51.9 | Low | 60.1 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 63% | 0.631 | 69% | 0.694 | S | S | * | * | trans | -119 | 98.9 | 167.7 | -59.3 | 150 | 0 | 0 | 0 | 106.5 | D553 | I549-D553 HydrophobicContact CG2-CB 4.31Š| ||
| 550 | G | 53.2 | Low | 61.6 | Low | 40 Ų | 40 | 137.6 Ų | 137.6 | 41% | 0.412 | 68% | 0.683 | S | S | . | * | trans | -72.4 | 159.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K552 D553 | G550-K552 PolarHBondContact O-N 3.11Å; G550-D553 PolarHBondContact O-N 3.45Å | ||
| 551 | P | 57.8 | Low | 63.7 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -60.5 | -0.6 | 178.8 | 24.5 | -33.8 | 0 | 0 | 0 | 114.7 | K555 | P551-K555 WeakPolarHBondContact O-CB 3.44Å; P551-K555 PolarHBondContact O-N 3.24Å |
| 552 | K | 60.3 | Low | 65.7 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -76.6 | -32.1 | 177.7 | -129.1 | 176.7 | 179.2 | -177.8 | 0 | 112.6 | G550 A556 | G550-K552 PolarHBondContact O-N 3.11Å; K552-A556 WeakPolarHBondContact O-CB 3.39Å; K552-A556 PolarHBondContact O-N 2.8Å; K552-A556 VanDerWaalsContact O-N 3.11Å |
| 553 | D | 65.3 | Low | 68.3 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 55% | 0.551 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -81.8 | -38.4 | 178.7 | -71.4 | -23.1 | 0 | 0 | 0 | 112.1 | I549 G550 K555 A556 E557 | I549-D553 HydrophobicContact CG2-CB 4.31Å; G550-D553 PolarHBondContact O-N 3.45Å; D553-K555 VanDerWaalsContact C-N 3.3Å; D553-K555 PolarHBondContact O-N 2.89Å; D553-A556 PolarHBondContact O-N 3.27Å; D553-E557 WeakPolarHBondContact O-CB 3.33Å; D553-E557 PolarHBondContact O-N 2.88Å |
| 554 | E | 75.9 | Confident | 70.8 | Confident | 99 Ų | 99 | 133.9 Ų | 133.9 | 46% | 0.463 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.7 | -39 | 171.6 | -72.2 | -177.3 | 176.4 | 0 | 0 | 110.8 | R545 E557 L558 | R545-E554 IonicContact NH1-OE1 3.83Å; R545-E554 IonicContact NH2-OE1 3.6Å; E554-E557 PolarHBondContact O-N 3.27Å; E554-L558 WeakPolarHBondContact O-CB 3.45Å; E554-L558 WeakPolarHBondContact O-CG 3.4Å; E554-L558 PolarHBondContact O-N 3.33Å |
| 555 | K | 81.7 | Confident | 73.2 | Confident | 157 Ų | 157 | 127.4 Ų | 127.4 | 68% | 0.683 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66 | -39.5 | 174.5 | -171.4 | 176.4 | -179.6 | -179 | 0 | 112.7 | P551 D553 D559 | P551-K555 WeakPolarHBondContact O-CB 3.44Å; P551-K555 PolarHBondContact O-N 3.24Å; D553-K555 VanDerWaalsContact C-N 3.3Å; D553-K555 PolarHBondContact O-N 2.89Å; K555-D559 WeakPolarHBondContact O-CB 3.19Å; K555-D559 PolarHBondContact O-N 2.97Å |
| 556 | A | 80.2 | Confident | 75.4 | Confident | 47 Ų | 47 | 122.2 Ų | 122.2 | 39% | 0.388 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -69.5 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K552 D553 D559 R560 | K552-A556 WeakPolarHBondContact O-CB 3.39Å; K552-A556 PolarHBondContact O-N 2.8Å; K552-A556 VanDerWaalsContact O-N 3.11Å; D553-A556 PolarHBondContact O-N 3.27Å; A556-D559 PolarHBondContact O-N 3.46Å; A556-R560 WeakPolarHBondContact O-CG 3.42Å; A556-R560 PolarHBondContact O-N 2.88Å |
| 557 | E | 84.8 | Confident | 77.6 | Confident | 88 Ų | 88 | 118 Ų | 118 | 41% | 0.411 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.6 | -42.5 | 174.2 | -175.4 | 56.6 | -151.4 | 0 | 0 | 111.5 | D553 E554 D559 R560 Q561 | D553-E557 WeakPolarHBondContact O-CB 3.33Å; D553-E557 PolarHBondContact O-N 2.88Å; E554-E557 PolarHBondContact O-N 3.27Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.89Å; E557-R560 PolarHBondContact O-N 3.36Å; E557-Q561 WeakPolarHBondContact O-CB 3.29Å; E557-Q561 VanDerWaalsContact O-CG 3.29Å; E557-Q561 WeakPolarHBondContact O-CG 3.34Å; E557-Q561 PolarHBondContact O-N 3.43Å; E557-Q561 PolarHBondContact OE1-NE2 3.01Å |
| 558 | L | 88.8 | Confident | 79.8 | Confident | 113 Ų | 113 | 110.3 Ų | 110.3 | 59% | 0.592 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -38.9 | 173 | -73.8 | 171.2 | 0 | 0 | 0 | 111.9 | E554 Q561 L562 | E554-L558 WeakPolarHBondContact O-CB 3.45Å; E554-L558 WeakPolarHBondContact O-CG 3.4Å; E554-L558 PolarHBondContact O-N 3.33Å; L558-Q561 PolarHBondContact O-N 3.48Å; L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.24Å; L558-L562 PolarHBondContact O-N 3.42Å |
| 559 | D | 90.8 | Very high | 81.6 | Confident | 83 Ų | 83 | 103.5 Ų | 103.5 | 44% | 0.444 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 177.2 | -162.4 | 46.5 | 0 | 0 | 0 | 112 | K555 A556 E557 L562 Q563 | K555-D559 WeakPolarHBondContact O-CB 3.19Å; K555-D559 PolarHBondContact O-N 2.97Å; A556-D559 PolarHBondContact O-N 3.46Å; E557-D559 VanDerWaalsContact C-N 3.31Å; E557-D559 PolarHBondContact O-N 2.89Å; D559-L562 PolarHBondContact O-N 2.98Å; D559-Q563 WeakPolarHBondContact O-CG 3.49Å; D559-Q563 PolarHBondContact O-N 3.49Å |
| 560 | R | 91.4 | Very high | 83.4 | Confident | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -43.7 | 171.4 | -77.8 | 179.8 | -174.9 | 174.9 | 2.1 | 112.3 | A556 E557 Q563 K564 | A556-R560 WeakPolarHBondContact O-CG 3.42Å; A556-R560 PolarHBondContact O-N 2.88Å; E557-R560 PolarHBondContact O-N 3.36Å; R560-Q563 PolarHBondContact O-N 2.93Å; R560-K564 WeakPolarHBondContact O-CB 3.34Å; R560-K564 PolarHBondContact O-N 2.83Å |
| 561 | Q | 94 | Very high | 85.1 | Confident | 93 Ų | 93 | 108.4 Ų | 108.4 | 44% | 0.435 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 178.1 | -72.3 | -178.9 | 16 | 0 | 0 | 111.5 | E557 L558 K564 I565 | E557-Q561 WeakPolarHBondContact O-CB 3.29Å; E557-Q561 VanDerWaalsContact O-CG 3.29Å; E557-Q561 WeakPolarHBondContact O-CG 3.34Å; E557-Q561 PolarHBondContact O-N 3.43Å; E557-Q561 PolarHBondContact OE1-NE2 3.01Å; L558-Q561 PolarHBondContact O-N 3.48Å; Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.29Å; Q561-I565 VanDerWaalsContact O-CG1 3.29Å; Q561-I565 WeakPolarHBondContact O-CG1 3.42Å; Q561-I565 PolarHBondContact O-N 2.85Å |
| 562 | L | 93.7 | Very high | 86.4 | Confident | 88 Ų | 88 | 111.6 Ų | 111.6 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -47.7 | 174.7 | -173.5 | 75.1 | 0 | 0 | 0 | 111.3 | L558 D559 K564 I565 Q566 | L558-L562 VanDerWaalsContact O-CB 3.24Å; L558-L562 WeakPolarHBondContact O-CB 3.24Å; L558-L562 PolarHBondContact O-N 3.42Å; D559-L562 PolarHBondContact O-N 2.98Å; L562-K564 VanDerWaalsContact C-N 3.29Å; L562-K564 PolarHBondContact O-N 2.97Å; L562-I565 PolarHBondContact O-N 2.69Å; L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 WeakPolarHBondContact O-CG 3.36Å; L562-Q566 PolarHBondContact O-N 3.2Å |
| 563 | Q | 95 | Very high | 87.6 | Confident | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.8 | -73.2 | 175.6 | 10.6 | 0 | 0 | 111.5 | D559 R560 Q566 S567 | D559-Q563 WeakPolarHBondContact O-CG 3.49Å; D559-Q563 PolarHBondContact O-N 3.49Å; R560-Q563 PolarHBondContact O-N 2.93Å; Q563-Q566 PolarHBondContact O-N 2.87Å; Q563-S567 PolarHBondContact O-N 3.39Å |
| 564 | K | 94.1 | Very high | 88.2 | Confident | 145 Ų | 145 | 110 Ų | 110 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 175.4 | -168 | 172.4 | -175.4 | 176.4 | 0 | 111.7 | R560 Q561 L562 S567 I568 | R560-K564 WeakPolarHBondContact O-CB 3.34Å; R560-K564 PolarHBondContact O-N 2.83Å; Q561-K564 WeakPolarHBondContact O-CB 3.29Å; Q561-K564 PolarHBondContact O-N 3.29Å; L562-K564 VanDerWaalsContact C-N 3.29Å; L562-K564 PolarHBondContact O-N 2.97Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.88Å; K564-I568 HydrophobicContact CG-CD1 4.38Å; K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 3.42Å; K564-I568 VanDerWaalsContact O-N 3.08Å |
| 565 | I | 91 | Very high | 88 | Confident | 93 Ų | 93 | 111 Ų | 111 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.9 | -69.3 | 165.3 | 0 | 0 | 0 | 110.8 | Q561 L562 S567 I568 I569 | Q561-I565 VanDerWaalsContact O-CG1 3.29Å; Q561-I565 WeakPolarHBondContact O-CG1 3.42Å; Q561-I565 PolarHBondContact O-N 2.85Å; L562-I565 PolarHBondContact O-N 2.69Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-I568 VanDerWaalsContact O-N 3.15Å; I565-I569 HydrophobicContact CG2-CD1 3.72Å; I565-I569 HydrophobicContact CG2-CG1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.38Å; I565-I569 PolarHBondContact O-N 2.88Å |
| 566 | Q | 93.8 | Very high | 87.2 | Confident | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 175.9 | -74.6 | 176.5 | -14.2 | 0 | 0 | 111.9 | L562 Q563 I568 I569 Q570 | L562-Q566 WeakPolarHBondContact O-CB 3.49Å; L562-Q566 WeakPolarHBondContact O-CG 3.36Å; L562-Q566 PolarHBondContact O-N 3.2Å; Q563-Q566 PolarHBondContact O-N 2.87Å; Q566-I568 VanDerWaalsContact C-N 3.35Å; Q566-I568 PolarHBondContact O-N 3.08Å; Q566-I569 PolarHBondContact O-N 3.41Å; Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 3.33Å |
| 567 | S | 92.2 | Very high | 86.4 | Confident | 48 Ų | 48 | 110.8 Ų | 110.8 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.8 | -37.7 | 175.4 | 78 | 0 | 0 | 0 | 0 | 112.8 | Q563 K564 I565 K571 | Q563-S567 PolarHBondContact O-N 3.39Å; K564-S567 PolarHBondContact O-N 3.31Å; K564-S567 PolarHBondContact O-OG 2.88Å; I565-S567 VanDerWaalsContact C-N 3.32Å; I565-S567 PolarHBondContact O-N 3.46Å; S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 WeakPolarHBondContact O-CG 3.34Å; S567-K571 PolarHBondContact O-N 2.87Å |
| 568 | I | 89.8 | Confident | 85.2 | Confident | 70 Ų | 70 | 113.6 Ų | 113.6 | 36% | 0.359 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.6 | -39.9 | 176.7 | -67.7 | 167 | 0 | 0 | 0 | 110.4 | K564 I565 Q566 K571 R572 | K564-I568 HydrophobicContact CG-CD1 4.38Å; K564-I568 WeakPolarHBondContact O-CG1 3.36Å; K564-I568 PolarHBondContact O-N 3.42Å; K564-I568 VanDerWaalsContact O-N 3.08Å; I565-I568 PolarHBondContact O-N 2.96Å; I565-I568 VanDerWaalsContact O-N 3.15Å; Q566-I568 VanDerWaalsContact C-N 3.35Å; Q566-I568 PolarHBondContact O-N 3.08Å; I568-K571 PolarHBondContact O-N 3.15Å; I568-R572 WeakPolarHBondContact O-CB 3.38Å; I568-R572 WeakPolarHBondContact O-CG 3.45Å; I568-R572 PolarHBondContact O-N 3.46Å |
| 569 | I | 88.2 | Confident | 83.5 | Confident | 102 Ų | 102 | 112.5 Ų | 112.5 | 52% | 0.523 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176 | -68.7 | 169.4 | 0 | 0 | 0 | 110.5 | I565 Q566 R572 K573 | I565-I569 HydrophobicContact CG2-CD1 3.72Å; I565-I569 HydrophobicContact CG2-CG1 4.31Å; I565-I569 WeakPolarHBondContact O-CG1 3.38Å; I565-I569 PolarHBondContact O-N 2.88Å; Q566-I569 PolarHBondContact O-N 3.41Å; I569-R572 PolarHBondContact O-N 2.9Å; I569-K573 VanDerWaalsContact O-CB 3.26Å; I569-K573 WeakPolarHBondContact O-CB 3.36Å; I569-K573 PolarHBondContact O-N 2.77Å |
| 570 | Q | 88.7 | Confident | 81.3 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62 | -45.4 | 175.2 | -76.3 | 177.8 | -16.1 | 0 | 0 | 111.9 | Q566 R572 K573 Q574 | Q566-Q570 WeakPolarHBondContact O-CG 3.43Å; Q566-Q570 PolarHBondContact O-N 3.33Å; Q570-R572 PolarHBondContact O-N 3.26Å; Q570-K573 PolarHBondContact O-N 3.47Å; Q570-Q574 WeakPolarHBondContact O-CG 3.27Å; Q570-Q574 PolarHBondContact O-N 3.48Å |
| 571 | K | 89.6 | Confident | 79 | Confident | 138 Ų | 138 | 108.5 Ų | 108.5 | 60% | 0.6 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.4 | -43.4 | 174.4 | -77.9 | -177.5 | 179.6 | -176.2 | 0 | 112.2 | S567 I568 L575 | S567-K571 WeakPolarHBondContact O-CB 3.41Å; S567-K571 WeakPolarHBondContact O-CG 3.34Å; S567-K571 PolarHBondContact O-N 2.87Å; I568-K571 PolarHBondContact O-N 3.15Å; K571-L575 WeakPolarHBondContact O-CB 3.33Å; K571-L575 WeakPolarHBondContact O-CD1 3.07Å; K571-L575 VanDerWaalsContact O-CG 3.27Å; K571-L575 WeakPolarHBondContact O-CG 3.16Å; K571-L575 PolarHBondContact O-N 3.35Å |
| 572 | R | 85.7 | Confident | 76.7 | Confident | 179 Ų | 179 | 110.6 Ų | 110.6 | 68% | 0.675 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.9 | -34.1 | 176.7 | -78.9 | -176.2 | 172.7 | 153.6 | -1.1 | 112.7 | I568 I569 Q570 L575 A576 | I568-R572 WeakPolarHBondContact O-CB 3.38Å; I568-R572 WeakPolarHBondContact O-CG 3.45Å; I568-R572 PolarHBondContact O-N 3.46Å; I569-R572 PolarHBondContact O-N 2.9Å; Q570-R572 PolarHBondContact O-N 3.26Å; R572-L575 PolarHBondContact O-N 2.83Å; R572-A576 WeakPolarHBondContact O-CB 3.42Å; R572-A576 PolarHBondContact O-N 2.82Å |
| 573 | K | 84.6 | Confident | 74.1 | Confident | 127 Ų | 127 | 113.2 Ų | 113.2 | 55% | 0.552 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.2 | -42.1 | 176 | -171.8 | -179.9 | 170.9 | -172.5 | 0 | 111 | I569 Q570 A576 E577 | I569-K573 VanDerWaalsContact O-CB 3.26Å; I569-K573 WeakPolarHBondContact O-CB 3.36Å; I569-K573 PolarHBondContact O-N 2.77Å; Q570-K573 PolarHBondContact O-N 3.47Å; K573-A576 PolarHBondContact O-N 3.33Å; K573-E577 WeakPolarHBondContact CE-OE1 3.26Å; K573-E577 IonicContact NZ-OE1 2.82Å; K573-E577 WeakPolarHBondContact O-CB 3.44Å; K573-E577 PolarHBondContact O-N 3.32Å |
| 574 | Q | 78.2 | Confident | 71.7 | Confident | 123 Ų | 123 | 113.1 Ų | 113.1 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.8 | -46.1 | 171.7 | -71.8 | 171.9 | 3.5 | 0 | 0 | 111.1 | Q570 A576 E577 D578 | Q570-Q574 WeakPolarHBondContact O-CG 3.27Å; Q570-Q574 PolarHBondContact O-N 3.48Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 2.97Å; Q574-E577 PolarHBondContact O-N 2.98Å; Q574-D578 PolarHBondContact O-N 3.31Å |
| 575 | L | 71.5 | Confident | 68.9 | Low | 121 Ų | 121 | 116.8 Ų | 116.8 | 63% | 0.634 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.6 | -28.1 | 175.6 | -73.4 | 163.3 | 0 | 0 | 0 | 113.6 | K571 R572 S579 | K571-L575 WeakPolarHBondContact O-CB 3.33Å; K571-L575 WeakPolarHBondContact O-CD1 3.07Å; K571-L575 VanDerWaalsContact O-CG 3.27Å; K571-L575 WeakPolarHBondContact O-CG 3.16Å; K571-L575 PolarHBondContact O-N 3.35Å; R572-L575 PolarHBondContact O-N 2.83Å; L575-S579 WeakPolarHBondContact O-CB 3.4Å; L575-S579 PolarHBondContact O-N 3.23Å |
| 576 | A | 65.1 | Low | 66.5 | Low | 62 Ų | 62 | 117.7 Ų | 117.7 | 51% | 0.512 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -84.5 | -26.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | R572 K573 Q574 S579 | R572-A576 WeakPolarHBondContact O-CB 3.42Å; R572-A576 PolarHBondContact O-N 2.82Å; K573-A576 PolarHBondContact O-N 3.33Å; Q574-A576 VanDerWaalsContact C-N 3.29Å; Q574-A576 PolarHBondContact O-N 2.97Å; A576-S579 CarbonylContact O-C 3.59Å |
| 577 | E | 63.5 | Low | 64 | Low | 137 Ų | 137 | 122.6 Ų | 122.6 | 64% | 0.64 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -77.2 | -31.3 | 171.6 | -78.2 | -179.4 | -178.8 | 0 | 0 | 111.5 | K573 Q574 S579 | K573-E577 WeakPolarHBondContact CE-OE1 3.26Å; K573-E577 IonicContact NZ-OE1 2.82Å; K573-E577 WeakPolarHBondContact O-CB 3.44Å; K573-E577 PolarHBondContact O-N 3.32Å; Q574-E577 PolarHBondContact O-N 2.98Å; E577-S579 VanDerWaalsContact C-N 3.31Å |
| 578 | D | 59.3 | Low | 61.6 | Low | 147 Ų | 147 | 130 Ų | 130 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -78.4 | -13.5 | 171.8 | -75 | -20.7 | 0 | 0 | 0 | 113.5 | Q574 | Q574-D578 PolarHBondContact O-N 3.31Š|
| 579 | S | 53 | Low | 59.2 | Low | 90 Ų | 90 | 131.9 Ų | 131.9 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -122.8 | 72.8 | 177.6 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | L575 A576 E577 | L575-S579 WeakPolarHBondContact O-CB 3.4Å; L575-S579 PolarHBondContact O-N 3.23Å; A576-S579 CarbonylContact O-C 3.59Å; E577-S579 VanDerWaalsContact C-N 3.31Å |
| 580 | G | 45.8 | Very low | 57 | Low | 49 Ų | 49 | 132 Ų | 132 | 51% | 0.505 | 69% | 0.693 | S | S | . | * | trans | -53 | 163 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V582 | G580-V582 PolarHBondContact O-N 3.5Š| ||
| 581 | P | 41.8 | Very low | 54.8 | Low | 123 Ų | 123 | 136.9 Ų | 136.9 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | trans | -79 | 124.4 | -150.5 | 31.9 | -33.7 | 0 | 0 | 0 | 112.3 | ||||
| 582 | V | 45.7 | Very low | 52.6 | Low | 136 Ų | 136 | 137.3 Ų | 137.3 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -120.2 | 94.1 | 162.7 | -169.7 | 0 | 0 | 0 | 0 | 109 | G580 | G580-V582 PolarHBondContact O-N 3.5Š| ||
| 583 | I | 39.7 | Very low | 50.9 | Low | 144 Ų | 144 | 135 Ų | 135 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | trans | -70.6 | 119.8 | 163.1 | -66 | 160.8 | 0 | 0 | 0 | 107.2 | Y585 | I583-Y585 HydrophobicContact CG2-CD2 4.21Å; I583-Y585 HydrophobicContact CG2-CE2 4.43Å | ||
| 584 | S | 44.1 | Very low | 49.1 | Very low | 108 Ų | 108 | 135.7 Ų | 135.7 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | -145.2 | 112.7 | 156.2 | 68.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 585 | Y | 35.2 | Very low | 48.1 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | trans | -85.8 | 124 | 165.6 | -77.4 | -95.8 | 0 | 0 | 0 | 108.7 | I583 | I583-Y585 HydrophobicContact CG2-CD2 4.21Å; I583-Y585 HydrophobicContact CG2-CE2 4.43Å | ||
| 586 | S | 42.1 | Very low | 47.2 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | trans | -170.2 | 102.8 | 153.2 | -160.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 587 | R | 39.9 | Very low | 47.1 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 79% | 0.789 | 77% | 0.766 | S | S | * | * | 63.7 | 114.7 | 78.8 | -91.9 | -159.4 | -92.4 | -168.9 | -4.6 | 116.3 | |||||
| 588 | Y | 41.2 | Very low | 46.4 | Very low | 204 Ų | 204 | 152.6 Ų | 152.6 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 74.5 | 119.7 | 148.6 | -67 | -70.7 | 0 | 0 | 0 | 122.6 | ||||
| 589 | S | 39.4 | Very low | 45.8 | Very low | 108 Ų | 108 | 152.9 Ų | 152.9 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 72.5 | 110.9 | 125.1 | -167.1 | 0 | 0 | 0 | 0 | 120 | |||||
| 590 | S | 42.8 | Very low | 45.4 | Very low | 104 Ų | 104 | 156.2 Ų | 156.2 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | 167.1 | 126.2 | 104.6 | 50.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 591 | R | 42.7 | Very low | 45.4 | Very low | 232 Ų | 232 | 162.2 Ų | 162.2 | 88% | 0.875 | 82% | 0.816 | S | S | * | * | trans | 59.4 | 105.6 | 135.7 | -63.3 | -179 | -178.2 | -170.9 | 0.2 | 122.9 | ||||
| 592 | L | 44.1 | Very low | 45.6 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | 26.9 | 151 | 121.6 | -62 | 176.7 | 0 | 0 | 0 | 121.3 | |||||
| 593 | P | 49.8 | Very low | 45.6 | Very low | 131 Ų | 131 | 166.3 Ų | 166.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | -135.1 | 153.3 | 86.3 | 31 | -14 | 0 | 0 | 0 | 116 | |||||
| 594 | I | 46.2 | Very low | 46 | Very low | 141 Ų | 141 | 167.7 Ų | 167.7 | 72% | 0.723 | 82% | 0.822 | S | S | * | * | trans | -64.6 | 143.9 | 175.4 | -68.7 | 150.2 | 0 | 0 | 0 | 111.9 | ||||
| 595 | R | 57.7 | Low | 46.1 | Very low | 252 Ų | 252 | 172 Ų | 172 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -138.3 | 109.2 | 152.3 | -129.3 | 177.4 | -175 | 179.9 | 1.1 | 110 | ||||
| 596 | S | 51 | Low | 47 | Very low | 96 Ų | 96 | 168.1 Ų | 168.1 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | trans | -67.5 | 143.6 | 168.2 | 158.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 597 | V | 63 | Low | 47.4 | Very low | 138 Ų | 138 | 172.8 Ų | 172.8 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | -158.9 | 117.5 | 129.4 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 598 | R | 50.7 | Low | 48.1 | Very low | 312 Ų | 312 | 169.5 Ų | 169.5 | 100% | 1.177 | 83% | 0.831 | S | S | * | * | trans | 65.7 | 0 | 165.2 | -111.8 | 176.8 | -172.1 | 167 | 2.1 | 121.5 |
Retrieved 598 of 598 residues in 332.6 ms
(Link to these results)