| 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 | 54.7 | Low | 68.8 | Low | 210 Ų | 210 | 121.7 Ų | 121.7 | 100% | 1.034 | 62% | 0.618 | S | S | * | * | 0 | -60.7 | 0 | -75.6 | -57.3 | -146.3 | 0 | 0 | 112.8 | T3 K4 | M1-T3 PolarHBondContact O-N 2.95Å; M1-T3 VanDerWaalsContact O-N 3.14Å; M1-K4 PolarHBondContact O-N 2.88Å | |||
| 2 | A | 63.4 | Low | 69.1 | Low | 76 Ų | 76 | 123.1 Ų | 123.1 | 63% | 0.628 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -43.3 | -50.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K4 R5 L6 | A2-K4 VanDerWaalsContact C-N 3.26Å; A2-K4 PolarHBondContact O-N 2.9Å; A2-K4 VanDerWaalsContact O-N 3.1Å; A2-R5 WeakPolarHBondContact O-CA 3.42Å; A2-R5 WeakPolarHBondContact O-CB 3.45Å; A2-R5 PolarHBondContact O-N 2.86Å; A2-L6 PolarHBondContact O-N 3.48Å |
| 3 | T | 67.2 | Low | 68.6 | Low | 115 Ų | 115 | 120.2 Ų | 120.2 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -54.7 | -36 | -172.7 | -19.7 | 0 | 0 | 0 | 0 | 114 | M1 A7 | M1-T3 PolarHBondContact O-N 2.95Å; M1-T3 VanDerWaalsContact O-N 3.14Å; T3-A7 VanDerWaalsContact O-CB 3.23Å; T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 3.46Å |
| 4 | K | 70.6 | Confident | 67.8 | Low | 145 Ų | 145 | 128 Ų | 128 | 63% | 0.63 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -77.1 | -23.5 | 179.4 | -168.1 | 179 | 179.5 | -174.8 | 0 | 112.9 | M1 A2 R8 I13 | M1-K4 PolarHBondContact O-N 2.88Å; A2-K4 VanDerWaalsContact C-N 3.26Å; A2-K4 PolarHBondContact O-N 2.9Å; A2-K4 VanDerWaalsContact O-N 3.1Å; K4-R8 WeakPolarHBondContact O-CG 3.23Å; K4-I13 HydrophobicContact CG-CD1 4.47Å |
| 5 | R | 69.4 | Low | 66.8 | Low | 200 Ų | 200 | 131.5 Ų | 131.5 | 76% | 0.755 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.3 | -47.9 | 172.7 | -164 | 175.3 | -174.6 | 170 | 2.4 | 109.5 | A2 A7 R8 Q9 | A2-R5 WeakPolarHBondContact O-CA 3.42Å; A2-R5 WeakPolarHBondContact O-CB 3.45Å; A2-R5 PolarHBondContact O-N 2.86Å; R5-A7 PolarHBondContact O-N 3.25Å; R5-R8 WeakPolarHBondContact O-CB 3.48Å; R5-R8 PolarHBondContact O-N 3.05Å; R5-R8 VanDerWaalsContact O-N 3.14Å; R5-Q9 PolarHBondContact O-N 3.23Å |
| 6 | L | 71.6 | Confident | 65 | Low | 95 Ų | 95 | 135.5 Ų | 135.5 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -57.8 | -47.6 | 175.5 | -173.3 | 65.9 | 0 | 0 | 0 | 112.1 | A2 R8 Q9 L10 | A2-L6 PolarHBondContact O-N 3.48Å; L6-R8 PolarHBondContact O-N 2.98Å; L6-Q9 PolarHBondContact O-N 2.85Å; L6-L10 HydrophobicContact CD1-CD1 4.07Å; L6-L10 HydrophobicContact CD1-CG 4.2Å; L6-L10 HydrophobicContact CD2-CD1 4.42Å; L6-L10 HydrophobicContact CG-CD1 3.85Å; L6-L10 HydrophobicContact CG-CG 4.31Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.89Å |
| 7 | A | 71.5 | Confident | 63.8 | Low | 20 Ų | 20 | 132.8 Ų | 132.8 | 17% | 0.165 | 65% | 0.646 | C | S | . | * | H | α-helix | trans | -70.9 | -13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T3 R5 L12 I13 | T3-A7 VanDerWaalsContact O-CB 3.23Å; T3-A7 WeakPolarHBondContact O-CB 3.45Å; T3-A7 PolarHBondContact O-N 3.46Å; R5-A7 PolarHBondContact O-N 3.25Å; A7-L12 HydrophobicContact CB-CB 4.47Å; A7-L12 PolarHBondContact O-N 2.76Å; A7-I13 HydrophobicContact CB-CD1 3.62Å; A7-I13 HydrophobicContact CB-CG1 3.82Å; A7-I13 PolarHBondContact O-N 3.14Å |
| 8 | R | 73.9 | Confident | 62.7 | Low | 168 Ų | 168 | 134.2 Ų | 134.2 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.7 | -45.9 | 163.6 | -78.2 | 175 | 168.9 | 179.5 | -3.3 | 110.9 | K4 R5 L6 L10 G11 | K4-R8 WeakPolarHBondContact O-CG 3.23Å; R5-R8 WeakPolarHBondContact O-CB 3.48Å; R5-R8 PolarHBondContact O-N 3.05Å; R5-R8 VanDerWaalsContact O-N 3.14Å; L6-R8 PolarHBondContact O-N 2.98Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.33Å; R8-G11 PolarHBondContact O-N 3.04Å |
| 9 | Q | 71.1 | Confident | 61.4 | Low | 157 Ų | 157 | 131 Ų | 131 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66 | -32.9 | -177.8 | -168 | 169.6 | -6.2 | 0 | 0 | 112.8 | R5 L6 G11 | R5-Q9 PolarHBondContact O-N 3.23Å; L6-Q9 PolarHBondContact O-N 2.85Å; Q9-G11 VanDerWaalsContact C-N 3.29Å; Q9-G11 PolarHBondContact O-N 3.07Å |
| 10 | L | 74.7 | Confident | 60.4 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 58% | 0.576 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 7.5 | 172.5 | -61.7 | 177.5 | 0 | 0 | 0 | 113.8 | L6 R8 L12 | L6-L10 HydrophobicContact CD1-CD1 4.07Å; L6-L10 HydrophobicContact CD1-CG 4.2Å; L6-L10 HydrophobicContact CD2-CD1 4.42Å; L6-L10 HydrophobicContact CG-CD1 3.85Å; L6-L10 HydrophobicContact CG-CG 4.31Å; L6-L10 WeakPolarHBondContact O-CG 3.45Å; L6-L10 PolarHBondContact O-N 2.89Å; R8-L10 VanDerWaalsContact C-N 3.33Å; R8-L10 PolarHBondContact O-N 3.33Å; L10-L12 HydrophobicContact CB-CD1 4.19Å; L10-L12 HydrophobicContact CB-CG 4.09Å; L10-L12 HydrophobicContact CD1-CD1 4.41Å; L10-L12 PolarHBondContact O-N 2.92Å |
| 11 | G | 68.7 | Low | 59.5 | Low | 43 Ų | 43 | 128.8 Ų | 128.8 | 44% | 0.443 | 67% | 0.665 | S | S | . | * | S | Bend | trans | 68.8 | -4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | R8 Q9 I13 | R8-G11 PolarHBondContact O-N 3.04Å; Q9-G11 VanDerWaalsContact C-N 3.29Å; Q9-G11 PolarHBondContact O-N 3.07Å; G11-I13 VanDerWaalsContact C-N 3.28Å; G11-I13 PolarHBondContact O-N 3.31Å |
| 12 | L | 72.9 | Confident | 58.9 | Low | 138 Ų | 138 | 126.9 Ų | 126.9 | 72% | 0.723 | 66% | 0.659 | S | S | * | * | trans | -62.6 | -31.3 | -177.5 | -60.1 | 175.2 | 0 | 0 | 0 | 112.9 | A7 L10 | A7-L12 HydrophobicContact CB-CB 4.47Å; A7-L12 PolarHBondContact O-N 2.76Å; L10-L12 HydrophobicContact CB-CD1 4.19Å; L10-L12 HydrophobicContact CB-CG 4.09Å; L10-L12 HydrophobicContact CD1-CD1 4.41Å; L10-L12 PolarHBondContact O-N 2.92Å | ||
| 13 | I | 62.3 | Low | 57.5 | Low | 85 Ų | 85 | 126.4 Ų | 126.4 | 44% | 0.436 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -99.7 | 84.4 | 171.8 | -55.4 | 175.3 | 0 | 0 | 0 | 109.4 | K4 A7 G11 R15 | K4-I13 HydrophobicContact CG-CD1 4.47Å; A7-I13 HydrophobicContact CB-CD1 3.62Å; A7-I13 HydrophobicContact CB-CG1 3.82Å; A7-I13 PolarHBondContact O-N 3.14Å; G11-I13 VanDerWaalsContact C-N 3.28Å; G11-I13 PolarHBondContact O-N 3.31Å; I13-R15 PolarHBondContact O-N 3.46Å |
| 14 | R | 57.4 | Low | 56.5 | Low | 230 Ų | 230 | 129.7 Ų | 129.7 | 87% | 0.868 | 68% | 0.676 | S | S | * | * | trans | -68.2 | 117.8 | 164.6 | -66.3 | -174.9 | 179 | -178.9 | -1.3 | 109.2 | K16 | R14-K16 PolarHBondContact O-N 2.95Š| ||
| 15 | R | 53.1 | Low | 54.9 | Low | 181 Ų | 181 | 130.2 Ų | 130.2 | 68% | 0.683 | 69% | 0.685 | S | S | * | * | trans | -59.6 | 119.3 | 167.6 | -164.5 | -179.7 | -161.7 | 174.3 | 6.8 | 106 | I13 S17 V204 | I13-R15 PolarHBondContact O-N 3.46Å; R15-S17 PolarHBondContact O-N 2.77Å; R15-V204 PolarHBondContact NH2-O 3.04Å | ||
| 16 | K | 37.6 | Very low | 53.6 | Low | 195 Ų | 195 | 124.3 Ų | 124.3 | 85% | 0.848 | 69% | 0.686 | S | S | * | * | trans | -73.6 | 69.1 | 177.3 | -166 | 177.8 | -176.7 | 177.3 | 0 | 110.1 | R14 I18 | R14-K16 PolarHBondContact O-N 2.95Å; K16-I18 PolarHBondContact O-N 3.14Å | ||
| 17 | S | 44.4 | Very low | 52.3 | Low | 89 Ų | 89 | 129.9 Ų | 129.9 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | trans | -60.7 | 117.1 | 159.6 | 45.8 | 0 | 0 | 0 | 0 | 107.5 | R15 A19 | R15-S17 PolarHBondContact O-N 2.77Å; S17-A19 PolarHBondContact O-N 2.91Å | ||
| 18 | I | 45 | Very low | 51.1 | Low | 158 Ų | 158 | 134.2 Ų | 134.2 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | trans | -74.1 | 80.3 | 160.8 | -57.6 | 173.9 | 0 | 0 | 0 | 105.4 | K16 | K16-I18 PolarHBondContact O-N 3.14Š| ||
| 19 | A | 37.2 | Very low | 50.3 | Low | 74 Ų | 74 | 134.5 Ų | 134.5 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 124.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | S17 | S17-A19 PolarHBondContact O-N 2.91Š|
| 20 | P | 41.5 | Very low | 49.7 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -63 | 142.9 | 165.7 | 29.1 | -32.9 | 0 | 0 | 0 | 108.4 | ||
| 21 | A | 41.1 | Very low | 49.9 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 81% | 0.81 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 149.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 22 | N | 42 | Very low | 51 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -19.2 | 125.7 | -175.9 | -64.1 | -5.9 | 0 | 0 | 0 | 117.6 | ||
| 23 | G | 34.8 | Very low | 51.8 | Low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | 171.4 | 121.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L25 | G23-L25 VanDerWaalsContact C-N 3.26Å; G23-L25 PolarHBondContact O-N 2.96Å | ||
| 24 | N | 45.6 | Very low | 53.4 | Low | 184 Ų | 184 | 127 Ų | 127 | 98% | 0.984 | 69% | 0.686 | S | S | * | * | trans | -72.2 | 86.5 | 165.5 | -92.1 | -15.9 | 0 | 0 | 0 | 108.6 | ||||
| 25 | L | 38.3 | Very low | 55.2 | Low | 156 Ų | 156 | 119 Ų | 119 | 82% | 0.817 | 66% | 0.661 | S | S | * | * | trans | -122.3 | 123.4 | 166.7 | -165 | 67 | 0 | 0 | 0 | 107.8 | G23 R27 | G23-L25 VanDerWaalsContact C-N 3.26Å; G23-L25 PolarHBondContact O-N 2.96Å; L25-R27 PolarHBondContact O-N 3.1Å | ||
| 26 | G | 40.3 | Very low | 57.3 | Low | 76 Ų | 76 | 111 Ų | 111 | 78% | 0.784 | 63% | 0.63 | S | S | * | * | trans | -55.8 | 105.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110 | S28 | G26-S28 VanDerWaalsContact C-N 3.29Å; G26-S28 PolarHBondContact O-N 2.94Å | ||
| 27 | R | 45.3 | Very low | 60.1 | Low | 211 Ų | 211 | 101.8 Ų | 101.8 | 80% | 0.796 | 59% | 0.59 | S | S | * | * | trans | -66.4 | 92.2 | -176.7 | -169.1 | -177.6 | -165.9 | -153.4 | 1.9 | 108 | L25 K29 | L25-R27 PolarHBondContact O-N 3.1Å; R27-K29 PolarHBondContact O-N 3.45Å | ||
| 28 | S | 47.1 | Very low | 62.7 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 78% | 0.783 | 56% | 0.56 | S | S | * | * | trans | -46.9 | 112.1 | -175.9 | -176.1 | 0 | 0 | 0 | 0 | 108.7 | G26 S30 | G26-S28 VanDerWaalsContact C-N 3.29Å; G26-S28 PolarHBondContact O-N 2.94Å; S28-S30 PolarHBondContact O-N 3.28Å | ||
| 29 | K | 56.4 | Low | 65.3 | Low | 174 Ų | 174 | 90 Ų | 90 | 76% | 0.757 | 52% | 0.522 | S | S | * | . | trans | -60.8 | 111.9 | 176 | -72.1 | -176.9 | 179.9 | -179.8 | 0 | 105.1 | R27 K31 | R27-K29 PolarHBondContact O-N 3.45Å; K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 3.28Å | ||
| 30 | S | 58.3 | Low | 68.2 | Low | 57 Ų | 57 | 86.5 Ų | 86.5 | 40% | 0.399 | 49% | 0.493 | S | S | . | . | trans | -56.5 | 101.6 | 170.5 | 51.9 | 0 | 0 | 0 | 0 | 106.9 | S28 Q32 | S28-S30 PolarHBondContact O-N 3.28Å; S30-Q32 PolarHBondContact O-N 3.18Å | ||
| 31 | K | 79.3 | Confident | 70.9 | Confident | 197 Ų | 197 | 81 Ų | 81 | 86% | 0.857 | 46% | 0.457 | S | S | * | . | trans | -53.9 | 127.9 | -175.6 | -72.5 | -172.7 | 175.5 | -174.6 | 0 | 107.4 | K29 | K29-K31 VanDerWaalsContact C-N 3.32Å; K29-K31 PolarHBondContact O-N 3.28Å | ||
| 32 | Q | 90.6 | Very high | 73.6 | Confident | 30 Ų | 30 | 76.3 Ų | 76.3 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | trans | -68.2 | 146.3 | 173.1 | -65.2 | -60.1 | -45.9 | 0 | 0 | 108.1 | S30 F34 I230 C234 | S30-Q32 PolarHBondContact O-N 3.18Å; Q32-F34 WeakPolarHBondContact CB-O 3.46Å; Q32-F34 PolarHBondContact O-N 2.9Å; Q32-I230 HydrophobicContact CG-CD1 4.27Å; Q32-I230 HydrophobicContact CG-CG1 4.15Å; Q32-I230 HydrophobicContact CG-CG2 3.85Å; Q32-C234 PolarHBondContact NE2-O 2.95Å | ||
| 33 | L | 91 | Very high | 76.3 | Confident | 87 Ų | 87 | 68.2 Ų | 68.2 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -68.1 | -23.3 | 172.5 | -179.9 | 60.5 | 0 | 0 | 0 | 111.6 | L146 | L33-L146 HydrophobicContact CD1-CD1 3.96Å; L33-L146 HydrophobicContact CG-CD1 4.4Å; L33-L146 WeakPolarHBondContact O-CB 3.16Å; L33-L146 WeakPolarHBondContact O-CD1 3.4Å |
| 34 | F | 94.4 | Very high | 79.3 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.013 | 34% | 0.343 | C | S | . | . | trans | -115.6 | 125.6 | -179.8 | -49.4 | -69 | 0 | 0 | 0 | 109.8 | Q32 Y36 L37 T68 A133 L146 A148 I180 M236 I238 | Q32-F34 WeakPolarHBondContact CB-O 3.46Å; Q32-F34 PolarHBondContact O-N 2.9Å; F34-Y36 VanDerWaalsContact C-N 3.29Å; F34-Y36 WeakPolarHBondContact CB-O 3.32Å; F34-L37 HydrophobicContact CB-CD2 4Å; F34-L37 HydrophobicContact CD2-CD2 4.15Å; F34-L37 HydrophobicContact CG-CD2 4.27Å; F34-T68 WeakPolarHBondContact O-CB 3.26Å; F34-T68 WeakPolarHBondContact O-CG2 3.33Å; F34-T68 PolarHBondContact O-OG1 3.01Å; F34-A133 HydrophobicContact CE1-CB 3.79Å; F34-L146 CarbonylContact C-O 3.47Å; F34-L146 VanDerWaalsContact CA-O 3.28Å; F34-L146 WeakPolarHBondContact CA-O 3.18Å; F34-L146 HydrophobicContact CD1-CB 3.98Å; F34-A148 HydrophobicContact CD1-CB 3.85Å; F34-A148 HydrophobicContact CD2-CB 4.01Å; F34-A148 HydrophobicContact CE1-CB 3.86Å; F34-A148 HydrophobicContact CE2-CB 4Å; F34-A148 HydrophobicContact CG-CB 3.94Å; F34-A148 HydrophobicContact CZ-CB 3.94Å; F34-I180 HydrophobicContact CD2-CD1 4.3Å; F34-I180 HydrophobicContact CE2-CD1 4.08Å; F34-M236 HydrophobicContact CD2-CB 4.27Å; F34-I238 HydrophobicContact CZ-CD1 4.12Å; F34-I238 HydrophobicContact CZ-CG1 4.05Å | ||
| 35 | D | 95.1 | Very high | 81.8 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 34% | 0.342 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -71.3 | -29.6 | 170 | -53.7 | -88.5 | 0 | 0 | 0 | 111.2 | T68 K145 L146 | D35-T68 PolarHBondContact O-N 2.78Å; D35-T68 PolarHBondContact O-OG1 2.75Å; D35-K145 HydrophobicContact CB-CB 3.96Å; D35-K145 HydrophobicContact CB-CD 4.39Å; D35-K145 HydrophobicContact CB-CG 4.23Å; D35-K145 VanDerWaalsContact OD2-CA 3.27Å; D35-K145 WeakPolarHBondContact OD2-CA 3.26Å; D35-K145 WeakPolarHBondContact OD2-CB 3.44Å; D35-L146 PolarHBondContact N-O 2.9Å; D35-L146 PolarHBondContact OD2-N 3.46Å |
| 36 | Y | 97 | Very high | 84.4 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.3 | -179.2 | -66.3 | -82.1 | 0 | 0 | 0 | 112.8 | F34 L65 L66 N67 K128 I130 K145 L146 C147 A148 | F34-Y36 VanDerWaalsContact C-N 3.29Å; F34-Y36 WeakPolarHBondContact CB-O 3.32Å; Y36-L65 HydrophobicContact CD1-CD1 3.88Å; Y36-L65 HydrophobicContact CD1-CD2 4.29Å; Y36-L65 HydrophobicContact CD1-CG 3.98Å; Y36-L65 HydrophobicContact CE1-CD2 4.48Å; Y36-L65 HydrophobicContact CG-CD1 4.13Å; Y36-L66 CarbonylContact C-O 3.55Å; Y36-L66 VanDerWaalsContact CA-O 3.3Å; Y36-L66 WeakPolarHBondContact CA-O 3.48Å; Y36-N67 HydrophobicContact CD1-CB 4.12Å; Y36-N67 HydrophobicContact CE1-CB 3.81Å; Y36-K128 HydrophobicContact CE2-CB 4.22Å; Y36-I130 HydrophobicContact CD1-CD1 4.39Å; Y36-I130 HydrophobicContact CD2-CD1 3.35Å; Y36-I130 HydrophobicContact CD2-CG1 3.7Å; Y36-I130 HydrophobicContact CE2-CD1 3.86Å; Y36-I130 HydrophobicContact CE2-CG1 4.11Å; Y36-I130 HydrophobicContact CG-CD1 3.65Å; Y36-I130 HydrophobicContact CG-CG1 4.44Å; Y36-K145 HydrophobicContact CD2-CB 4.39Å; Y36-K145 HydrophobicContact CE2-CB 4.36Å; Y36-K145 HydrophobicContact CE2-CD 3.81Å; Y36-L146 PolarHBondContact N-O 3.04Å; Y36-C147 WeakPolarHBondContact O-CA 3.33Å; Y36-C147 PolarHBondContact O-SG 2.66Å; Y36-A148 PolarHBondContact O-N 2.84Å |
| 37 | L | 98.1 | Very high | 87 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 129.1 | 172.1 | -63.9 | 173.4 | 0 | 0 | 0 | 108.6 | F34 L66 T68 A148 V150 I180 A226 I230 M236 | F34-L37 HydrophobicContact CB-CD2 4Å; F34-L37 HydrophobicContact CD2-CD2 4.15Å; F34-L37 HydrophobicContact CG-CD2 4.27Å; L37-L66 HydrophobicContact CB-CB 4.42Å; L37-L66 HydrophobicContact CD1-CD2 4.35Å; L37-L66 PolarHBondContact N-O 3.19Å; L37-L66 PolarHBondContact O-N 2.88Å; L37-T68 HydrophobicContact CD1-CG2 3.84Å; L37-T68 HydrophobicContact CG-CG2 3.74Å; L37-A148 WeakPolarHBondContact CA-O 3.41Å; L37-A148 HydrophobicContact CD2-CB 4.02Å; L37-V150 HydrophobicContact CB-CG2 3.83Å; L37-V150 HydrophobicContact CD1-CG2 4.22Å; L37-V150 HydrophobicContact CD2-CG2 3.78Å; L37-V150 HydrophobicContact CG-CG2 4.14Å; L37-I180 HydrophobicContact CD2-CD1 4.09Å; L37-A226 HydrophobicContact CD1-CB 4.46Å; L37-I230 HydrophobicContact CD1-CD1 4.1Å; L37-M236 HydrophobicContact CD1-CG 4.19Å |
| 38 | I | 98.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112 | 171.8 | -64.6 | 177.3 | 0 | 0 | 0 | 108 | I40 A63 V64 L65 W120 I121 F132 A148 F149 V150 | I38-I40 HydrophobicContact CG2-CD1 4.5Å; I38-I40 HydrophobicContact CG2-CG1 4.33Å; I38-A63 HydrophobicContact CG2-CB 3.93Å; I38-V64 WeakPolarHBondContact CA-O 3.41Å; I38-L65 HydrophobicContact CD1-CD1 4.2Å; I38-L65 HydrophobicContact CG1-CD1 3.64Å; I38-W120 HydrophobicContact CD1-CH2 4.45Å; I38-W120 HydrophobicContact CD1-CZ3 4.07Å; I38-W120 HydrophobicContact CG2-CH2 4.08Å; I38-W120 HydrophobicContact CG2-CZ3 3.99Å; I38-I121 HydrophobicContact CD1-CD1 3.52Å; I38-F132 HydrophobicContact CD1-CE1 3.87Å; I38-F132 HydrophobicContact CD1-CZ 3.96Å; I38-A148 PolarHBondContact N-O 2.76Å; I38-F149 HydrophobicContact CB-CD1 3.81Å; I38-F149 HydrophobicContact CB-CE1 3.88Å; I38-F149 HydrophobicContact CD1-CE1 4.07Å; I38-F149 HydrophobicContact CD1-CZ 4.43Å; I38-F149 HydrophobicContact CG2-CD1 3.81Å; I38-F149 HydrophobicContact CG2-CE1 3.73Å; I38-F149 CarbonylContact O-C 3.51Å; I38-F149 WeakPolarHBondContact O-CA 3.41Å; I38-V150 PolarHBondContact O-N 3.46Å |
| 39 | V | 98.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132 | -174.6 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | A63 V64 V150 T222 A223 | V39-A63 CarbonylContact O-C 3.47Å; V39-A63 VanDerWaalsContact O-CA 3.25Å; V39-A63 WeakPolarHBondContact O-CA 3.18Å; V39-V64 HydrophobicContact CB-CG2 3.84Å; V39-V64 HydrophobicContact CG2-CG2 4.34Å; V39-V64 PolarHBondContact N-O 3.18Å; V39-V64 PolarHBondContact O-N 3.26Å; V39-V150 CarbonylContact C-O 3.5Å; V39-V150 WeakPolarHBondContact CA-O 3.38Å; V39-V150 HydrophobicContact CG1-CB 4.44Å; V39-V150 HydrophobicContact CG2-CB 4.15Å; V39-T222 HydrophobicContact CG1-CG2 3.36Å; V39-A223 HydrophobicContact CB-CB 4.38Å; V39-A223 HydrophobicContact CG2-CB 3.81Å |
| 40 | I | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 131.8 | -175.1 | -60.4 | 175.7 | 0 | 0 | 0 | 109.4 | I38 F42 A63 F117 F149 V150 T151 L176 | I38-I40 HydrophobicContact CG2-CD1 4.5Å; I38-I40 HydrophobicContact CG2-CG1 4.33Å; I40-F42 HydrophobicContact CG2-CD1 3.65Å; I40-F42 HydrophobicContact CG2-CE1 3.26Å; I40-F42 HydrophobicContact CG2-CE2 4.28Å; I40-F42 HydrophobicContact CG2-CG 4.3Å; I40-F42 HydrophobicContact CG2-CZ 3.62Å; I40-A63 HydrophobicContact CG1-CB 3.9Å; I40-F117 HydrophobicContact CD1-CZ 4.02Å; I40-F149 HydrophobicContact CD1-CD1 3.84Å; I40-F149 HydrophobicContact CD1-CE1 4.3Å; I40-V150 PolarHBondContact N-O 2.72Å; I40-T151 WeakPolarHBondContact O-CA 3.44Å; I40-L176 HydrophobicContact CD1-CD2 4.12Å |
| 41 | D | 98.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -136.1 | 114.9 | 163.4 | -146.5 | -58.5 | 0 | 0 | 0 | 106.6 | P62 W152 G215 D218 S219 R685 | D41-P62 VanDerWaalsContact O-CD 3.28Å; D41-P62 WeakPolarHBondContact O-CD 3.48Å; D41-P62 WeakPolarHBondContact O-CG 3.41Å; D41-W152 WeakPolarHBondContact OD2-CB 3.25Å; D41-G215 WeakPolarHBondContact O-CA 3.16Å; D41-D218 HydrophobicContact CB-CB 4.22Å; D41-S219 PolarHBondContact N-OG 2.73Å; D41-S219 VanDerWaalsContact N-OG 3.11Å; D41-R685 IonicContact OD1-NH2 3.21Å | ||
| 42 | F | 98.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -85.4 | 143.4 | -176.1 | -62.8 | -44.8 | 0 | 0 | 0 | 110 | I40 I58 F61 W155 D156 L157 L161 R685 | I40-F42 HydrophobicContact CG2-CD1 3.65Å; I40-F42 HydrophobicContact CG2-CE1 3.26Å; I40-F42 HydrophobicContact CG2-CE2 4.28Å; I40-F42 HydrophobicContact CG2-CG 4.3Å; I40-F42 HydrophobicContact CG2-CZ 3.62Å; F42-I58 HydrophobicContact CB-CG1 4.3Å; F42-I58 HydrophobicContact CB-CG2 4.37Å; F42-I58 HydrophobicContact CD1-CD1 4.42Å; F42-I58 HydrophobicContact CD1-CG2 4.43Å; F42-I58 HydrophobicContact CD2-CD1 3.78Å; F42-I58 HydrophobicContact CD2-CG1 4.22Å; F42-I58 HydrophobicContact CE2-CD1 3.92Å; F42-I58 HydrophobicContact CG-CD1 4.05Å; F42-I58 HydrophobicContact CG-CG1 4.23Å; F42-I58 HydrophobicContact CG-CG2 4.45Å; F42-I58 HydrophobicContact CZ-CD1 4.29Å; F42-F61 HydrophobicContact CD1-CB 4.47Å; F42-F61 HydrophobicContact CD1-CD1 4.45Å; F42-F61 HydrophobicContact CD1-CD2 4.06Å; F42-F61 HydrophobicContact CD1-CE2 4.43Å; F42-F61 HydrophobicContact CD1-CG 4.07Å; F42-F61 HydrophobicContact CE1-CB 4.48Å; F42-F61 AromaticContact CE1-CD1 3.75Å; F42-F61 HydrophobicContact CE1-CD1 3.75Å; F42-F61 AromaticContact CE1-CD2 3.45Å; F42-F61 HydrophobicContact CE1-CD2 3.45Å; F42-F61 VanDerWaalsContact CE1-CD2 3.45Å; F42-F61 AromaticContact CE1-CE1 3.72Å; F42-F61 HydrophobicContact CE1-CE1 3.72Å; F42-F61 AromaticContact CE1-CE2 3.42Å; F42-F61 HydrophobicContact CE1-CE2 3.42Å; F42-F61 VanDerWaalsContact CE1-CE2 3.42Å; F42-F61 AromaticContact CE1-CG 3.62Å; F42-F61 HydrophobicContact CE1-CG 3.62Å; F42-F61 AromaticContact CE1-CZ 3.56Å; F42-F61 HydrophobicContact CE1-CZ 3.56Å; F42-F61 HydrophobicContact CZ-CD2 4.03Å; F42-F61 HydrophobicContact CZ-CE1 4.31Å; F42-F61 AromaticContact CZ-CE2 3.58Å; F42-F61 HydrophobicContact CZ-CE2 3.58Å; F42-F61 AromaticContact CZ-CZ 3.74Å; F42-F61 HydrophobicContact CZ-CZ 3.74Å; F42-W155 HydrophobicContact CB-CZ3 4.49Å; F42-D156 HydrophobicContact CD2-CB 3.79Å; F42-D156 HydrophobicContact CE2-CB 4.13Å; F42-D156 PolarHBondContact N-OD1 2.82Å; F42-D156 VanDerWaalsContact N-OD1 3.15Å; F42-L157 HydrophobicContact CE2-CD2 3.9Å; F42-L157 HydrophobicContact CZ-CD2 3.85Å; F42-L161 HydrophobicContact CE2-CB 3.81Å; F42-L161 HydrophobicContact CE2-CD2 4.28Å; F42-L161 HydrophobicContact CZ-CB 4.47Å; F42-L161 HydrophobicContact CZ-CD2 4.19Å; F42-R685 PolarHBondContact O-NH1 2.7Å; F42-R685 PolarHBondContact O-NH2 3.49Å | ||
| 43 | E | 98.3 | Very high | 93 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 150.3 | 159.5 | -73.2 | -57.2 | 148.4 | 0 | 0 | 112 | I58 I59 E60 T97 I99 H213 R685 M688 | E43-I58 CarbonylContact O-C 3.52Å; E43-I58 WeakPolarHBondContact O-CA 3.43Å; E43-I59 HydrophobicContact CB-CG1 4.28Å; E43-I59 PolarHBondContact O-N 2.88Å; E43-E60 HydrophobicContact CB-CB 3.92Å; E43-E60 PolarHBondContact N-O 3.22Å; E43-E60 VanDerWaalsContact N-O 3.13Å; E43-E60 PolarHBondContact O-N 3.37Å; E43-T97 HydrophobicContact CB-CG2 4.13Å; E43-T97 HydrophobicContact CG-CG2 4Å; E43-T97 WeakPolarHBondContact OE2-CG2 3.39Å; E43-I99 HydrophobicContact CB-CD1 3.87Å; E43-H213 WeakPolarHBondContact CG-O 3.37Å; E43-R685 IonicContact OE1-CZ 3.97Å; E43-R685 IonicContact OE1-NH2 2.66Å; E43-R685 PolarHBondContact OE1-NH2 3.05Å; E43-R685 IonicContact OE2-CZ 3.5Å; E43-R685 VanDerWaalsContact OE2-CZ 3.23Å; E43-R685 IonicContact OE2-NE 3.63Å; E43-R685 IonicContact OE2-NH1 2.73Å; E43-R685 PolarHBondContact OE2-NH1 2.89Å; E43-R685 IonicContact OE2-NH2 3.63Å; E43-R685 PolarHBondContact OE2-NH2 2.86Å; E43-R685 VanDerWaalsContact OE2-NH2 3.1Å; E43-M688 WeakPolarHBondContact OE2-CE 3.38Å |
| 44 | S | 97.4 | Very high | 92.5 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.7 | -169 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | C46 E57 W155 R685 | S44-C46 PolarHBondContact O-N 3.46Å; S44-E57 CarbonylContact C-O 3.57Å; S44-E57 WeakPolarHBondContact CA-O 3.36Å; S44-E57 VanDerWaalsContact CB-O 3.27Å; S44-E57 WeakPolarHBondContact CB-O 3.47Å; S44-W155 VanDerWaalsContact OG-CH2 3.28Å; S44-W155 WeakPolarHBondContact OG-CH2 3.14Å; S44-R685 PolarHBondContact OG-NH1 2.84Å |
| 45 | T | 97.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | trans | -48.7 | 127.3 | 172.6 | 55 | 0 | 0 | 0 | 0 | 111.8 | W47 E57 I59 P83 L89 | T45-W47 WeakPolarHBondContact O-CZ3 3.16Å; T45-E57 HydrophobicContact CG2-CB 4.32Å; T45-E57 PolarHBondContact N-O 3.23Å; T45-E57 PolarHBondContact OG1-N 3.42Å; T45-I59 HydrophobicContact CG2-CG2 3.7Å; T45-P83 HydrophobicContact CG2-CB 3.93Å; T45-P83 HydrophobicContact CG2-CG 4.15Å; T45-L89 HydrophobicContact CG2-CD2 4.05Å | ||
| 46 | C | 94.8 | Very high | 92.2 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | trans | -146.8 | 163.9 | -177.8 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | S44 S90 C93 | S44-C46 PolarHBondContact O-N 3.46Å; C46-S90 PolarHBondContact O-OG 2.83Å; C46-C93 VanDerWaalsContact SG-SG 3.64Å | ||
| 47 | W | 93.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 22% | 0.223 | 20% | 0.199 | C | C | . | . | trans | -148.8 | 148.4 | -173 | -56.6 | -96.3 | 0 | 0 | 0 | 110.8 | T45 H53 H86 | T45-W47 WeakPolarHBondContact O-CZ3 3.16Å; W47-H53 AromaticContact CD2-CD2 3.79Å; W47-H53 AromaticContact CD2-NE2 3.94Å; W47-H53 HydrophobicContact CE3-CB 3.73Å; W47-H53 AromaticContact CE3-CD2 3.33Å; W47-H53 AromaticContact CE3-CG 3.37Å; W47-H53 AromaticContact CE3-NE2 3.96Å; W47-H53 AromaticContact CG-NE2 3.84Å; W47-H53 HydrophobicContact CZ3-CB 3.62Å; W47-H53 AromaticContact CZ3-CG 3.73Å; W47-H86 HydrophobicContact CH2-CB 4.2Å; W47-H86 AromaticContact CH2-CG 3.84Å; W47-H86 HydrophobicContact CZ2-CB 3.86Å; W47-H86 AromaticContact CZ2-CG 3.65Å; W47-H86 AromaticContact CZ2-ND1 3.72Å | ||
| 48 | N | 90.4 | Very high | 92.3 | Very high | 84 Ų | 84 | 41.1 Ų | 41.1 | 45% | 0.449 | 20% | 0.199 | S | C | . | . | trans | -105.8 | 30.9 | 175.4 | -165.6 | 22.9 | 0 | 0 | 0 | 113.2 | G50 F92 L682 | N48-G50 PolarHBondContact O-N 3.23Å; N48-F92 HydrophobicContact CB-CB 4.17Å; N48-F92 HydrophobicContact CB-CD1 3.87Å; N48-F92 HydrophobicContact CB-CD2 3.75Å; N48-F92 HydrophobicContact CB-CE1 4.25Å; N48-F92 HydrophobicContact CB-CE2 4.13Å; N48-F92 HydrophobicContact CB-CG 3.61Å; N48-F92 HydrophobicContact CB-CZ 4.38Å; N48-L682 VanDerWaalsContact OD1-CD2 3.27Å; N48-L682 WeakPolarHBondContact OD1-CD2 3.22Å | ||
| 49 | D | 87.8 | Confident | 92.3 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 35% | 0.348 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -83.5 | 4.8 | 179.9 | 73.7 | -15 | 0 | 0 | 0 | 113.9 | K51 H53 | D49-K51 HydrophobicContact CB-CG 4.47Å; D49-K51 PolarHBondContact O-N 3.07Å; D49-K51 VanDerWaalsContact O-N 3.11Å; D49-K51 WeakPolarHBondContact OD1-CB 3.48Å; D49-K51 PolarHBondContact OD1-N 3.22Å; D49-K51 WeakPolarHBondContact OD2-CD 3.23Å; D49-K51 WeakPolarHBondContact OD2-CE 3.39Å; D49-K51 WeakPolarHBondContact OD2-CG 3.48Å; D49-K51 IonicContact OD2-NZ 2.71Å; D49-K51 PolarHBondContact OD2-NZ 2.8Å; D49-H53 VanDerWaalsContact CG-NE2 3.31Å; D49-H53 IonicContact OD1-CD2 3.93Å; D49-H53 IonicContact OD1-CE1 2.83Å; D49-H53 IonicContact OD1-NE2 3.1Å; D49-H53 PolarHBondContact OD1-NE2 3.15Å; D49-H53 IonicContact OD2-CE1 2.71Å; D49-H53 PolarHBondContact OD2-CE1 2.95Å; D49-H53 IonicContact OD2-NE2 3.45Å; D49-H53 PolarHBondContact OD2-NE2 2.87Å; D49-H53 VanDerWaalsContact OD2-NE2 3.12Å |
| 50 | G | 81.7 | Confident | 92.3 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 42% | 0.423 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 69.3 | -0.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | N48 R683 | N48-G50 PolarHBondContact O-N 3.23Å; G50-R683 VanDerWaalsContact O-CZ 3.3Å; G50-R683 PolarHBondContact O-NH1 2.69Å |
| 51 | K | 84.3 | Confident | 92.3 | Very high | 137 Ų | 137 | 41.1 Ų | 41.1 | 60% | 0.596 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -75.1 | -163.1 | -179.1 | -59.6 | -169.8 | -160.6 | 105.5 | 0 | 111.1 | D49 R683 | D49-K51 HydrophobicContact CB-CG 4.47Å; D49-K51 PolarHBondContact O-N 3.07Å; D49-K51 VanDerWaalsContact O-N 3.11Å; D49-K51 WeakPolarHBondContact OD1-CB 3.48Å; D49-K51 PolarHBondContact OD1-N 3.22Å; D49-K51 WeakPolarHBondContact OD2-CD 3.23Å; D49-K51 WeakPolarHBondContact OD2-CE 3.39Å; D49-K51 WeakPolarHBondContact OD2-CG 3.48Å; D49-K51 IonicContact OD2-NZ 2.71Å; D49-K51 PolarHBondContact OD2-NZ 2.8Å; K51-R683 PolarHBondContact O-NH1 3.11Å |
| 52 | R | 77.8 | Confident | 92.3 | Very high | 192 Ų | 192 | 41 Ų | 41 | 73% | 0.725 | 20% | 0.199 | S | C | * | . | trans | -129.2 | 100 | 168.1 | -75.9 | -172.1 | 178.3 | -173.2 | -0.3 | 108.1 | H54 | R52-H54 PolarHBondContact O-CD2 2.98Š| ||
| 53 | H | 81.4 | Confident | 92.3 | Very high | 46 Ų | 46 | 41 Ų | 41 | 21% | 0.213 | 20% | 0.199 | C | C | . | . | trans | -76.8 | 139.7 | 169.1 | -55.9 | -68.3 | 0 | 0 | 0 | 108.4 | W47 D49 Q56 | W47-H53 AromaticContact CD2-CD2 3.79Å; W47-H53 AromaticContact CD2-NE2 3.94Å; W47-H53 HydrophobicContact CE3-CB 3.73Å; W47-H53 AromaticContact CE3-CD2 3.33Å; W47-H53 AromaticContact CE3-CG 3.37Å; W47-H53 AromaticContact CE3-NE2 3.96Å; W47-H53 AromaticContact CG-NE2 3.84Å; W47-H53 HydrophobicContact CZ3-CB 3.62Å; W47-H53 AromaticContact CZ3-CG 3.73Å; D49-H53 VanDerWaalsContact CG-NE2 3.31Å; D49-H53 IonicContact OD1-CD2 3.93Å; D49-H53 IonicContact OD1-CE1 2.83Å; D49-H53 IonicContact OD1-NE2 3.1Å; D49-H53 PolarHBondContact OD1-NE2 3.15Å; D49-H53 IonicContact OD2-CE1 2.71Å; D49-H53 PolarHBondContact OD2-CE1 2.95Å; D49-H53 IonicContact OD2-NE2 3.45Å; D49-H53 PolarHBondContact OD2-NE2 2.87Å; D49-H53 VanDerWaalsContact OD2-NE2 3.12Å; H53-Q56 PolarHBondContact O-NE2 2.66Å; H53-Q56 PolarHBondContact O-OE1 2.86Å | ||
| 54 | H | 79.7 | Confident | 92.3 | Very high | 140 Ų | 140 | 41 Ų | 41 | 65% | 0.648 | 20% | 0.199 | S | C | * | . | trans | -123.9 | 0.3 | 179.7 | -71.2 | -65 | 0 | 0 | 0 | 112.2 | R52 | R52-H54 PolarHBondContact O-CD2 2.98Š| ||
| 55 | S | 89.7 | Confident | 92.4 | Very high | 25 Ų | 25 | 41 Ų | 41 | 18% | 0.175 | 20% | 0.198 | C | C | . | . | trans | -111.3 | 43.2 | 178.2 | 51 | 0 | 0 | 0 | 0 | 110 | E85 H86 | S55-E85 VanDerWaalsContact CB-OE2 3.24Å; S55-E85 WeakPolarHBondContact CB-OE2 3.42Å; S55-H86 PolarHBondContact O-CD2 2.98Å; S55-H86 PolarHBondContact OG-NE2 2.94Å | ||
| 56 | Q | 94.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 40.9 Ų | 40.9 | 25% | 0.248 | 20% | 0.198 | C | C | . | . | trans | -63 | 139.1 | 166.4 | -71.4 | 80.6 | 10.2 | 0 | 0 | 108.9 | H53 R167 | H53-Q56 PolarHBondContact O-NE2 2.66Å; H53-Q56 PolarHBondContact O-OE1 2.86Å; Q56-R167 PolarHBondContact O-NH1 2.99Å; Q56-R167 PolarHBondContact O-NH2 3.24Å | ||
| 57 | E | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -123.7 | 140 | 175.5 | -64.1 | 178.5 | 98.8 | 0 | 0 | 108.6 | S44 T45 P83 Q84 E85 H86 E164 K168 | S44-E57 CarbonylContact C-O 3.57Å; S44-E57 WeakPolarHBondContact CA-O 3.36Å; S44-E57 VanDerWaalsContact CB-O 3.27Å; S44-E57 WeakPolarHBondContact CB-O 3.47Å; T45-E57 HydrophobicContact CG2-CB 4.32Å; T45-E57 PolarHBondContact N-O 3.23Å; T45-E57 PolarHBondContact OG1-N 3.42Å; E57-P83 HydrophobicContact CB-CB 4.06Å; E57-P83 VanDerWaalsContact OE2-CB 3.31Å; E57-P83 WeakPolarHBondContact OE2-CB 3.39Å; E57-Q84 PolarHBondContact OE1-N 3.17Å; E57-Q84 PolarHBondContact OE2-N 2.9Å; E57-E85 VanDerWaalsContact CD-N 3.3Å; E57-E85 HydrophobicContact CG-CB 4.39Å; E57-E85 PolarHBondContact OE1-N 2.85Å; E57-E85 WeakPolarHBondContact OE2-CA 3.42Å; E57-E85 WeakPolarHBondContact OE2-CB 3.15Å; E57-E85 PolarHBondContact OE2-N 2.8Å; E57-H86 IonicContact OE2-CD2 3.59Å; E57-H86 PolarHBondContact OE2-N 3.22Å; E57-E164 WeakPolarHBondContact CA-OE2 3.21Å; E57-K168 WeakPolarHBondContact OE1-CE 3.41Å; E57-K168 IonicContact OE1-NZ 3.62Å; E57-K168 PolarHBondContact OE1-NZ 3.36Å | ||
| 58 | I | 98.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 134.4 | 172.8 | -64.1 | 167.7 | 0 | 0 | 0 | 108.6 | F42 E43 E60 F61 V81 L110 L161 E164 | F42-I58 HydrophobicContact CB-CG1 4.3Å; F42-I58 HydrophobicContact CB-CG2 4.37Å; F42-I58 HydrophobicContact CD1-CD1 4.42Å; F42-I58 HydrophobicContact CD1-CG2 4.43Å; F42-I58 HydrophobicContact CD2-CD1 3.78Å; F42-I58 HydrophobicContact CD2-CG1 4.22Å; F42-I58 HydrophobicContact CE2-CD1 3.92Å; F42-I58 HydrophobicContact CG-CD1 4.05Å; F42-I58 HydrophobicContact CG-CG1 4.23Å; F42-I58 HydrophobicContact CG-CG2 4.45Å; F42-I58 HydrophobicContact CZ-CD1 4.29Å; E43-I58 CarbonylContact O-C 3.52Å; E43-I58 WeakPolarHBondContact O-CA 3.43Å; I58-E60 WeakPolarHBondContact CG2-O 3.48Å; I58-F61 HydrophobicContact CD1-CD2 4.42Å; I58-F61 HydrophobicContact CG2-CB 4.22Å; I58-F61 HydrophobicContact CG2-CD2 4.35Å; I58-V81 HydrophobicContact CG2-CB 4.36Å; I58-V81 HydrophobicContact CG2-CG2 4.1Å; I58-V81 WeakPolarHBondContact O-CB 3.22Å; I58-V81 VanDerWaalsContact O-CG1 3.24Å; I58-V81 WeakPolarHBondContact O-CG1 3.28Å; I58-L110 HydrophobicContact CD1-CD1 4.27Å; I58-L161 HydrophobicContact CD1-CB 4.06Å; I58-L161 HydrophobicContact CD1-CD1 3.94Å; I58-E164 WeakPolarHBondContact CG1-OE2 3.48Å; I58-E164 PolarHBondContact N-OE2 3.06Å |
| 59 | I | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -18.2 | 175.9 | 61.8 | 174.2 | 0 | 0 | 0 | 113 | E43 T45 Y80 V81 P83 L89 I99 V104 | E43-I59 HydrophobicContact CB-CG1 4.28Å; E43-I59 PolarHBondContact O-N 2.88Å; T45-I59 HydrophobicContact CG2-CG2 3.7Å; I59-Y80 WeakPolarHBondContact O-CA 3.06Å; I59-V81 WeakPolarHBondContact CA-O 3.3Å; I59-V81 PolarHBondContact O-N 2.92Å; I59-P83 HydrophobicContact CG2-CB 4.29Å; I59-P83 HydrophobicContact CG2-CG 3.92Å; I59-L89 HydrophobicContact CD1-CD1 4.45Å; I59-L89 HydrophobicContact CD1-CD2 3.96Å; I59-L89 HydrophobicContact CG2-CD2 4.14Å; I59-I99 HydrophobicContact CD1-CD1 3.86Å; I59-I99 HydrophobicContact CG1-CD1 3.84Å; I59-V104 HydrophobicContact CB-CG1 3.81Å; I59-V104 HydrophobicContact CG2-CG1 4.15Å |
| 60 | E | 98.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 128 | 164.3 | -167.8 | -174.1 | 163.8 | 0 | 0 | 108.9 | E43 I58 P62 Q78 Y80 I99 G215 L216 | E43-E60 HydrophobicContact CB-CB 3.92Å; E43-E60 PolarHBondContact N-O 3.22Å; E43-E60 VanDerWaalsContact N-O 3.13Å; E43-E60 PolarHBondContact O-N 3.37Å; I58-E60 WeakPolarHBondContact CG2-O 3.48Å; E60-P62 HydrophobicContact CG-CG 4.24Å; E60-P62 WeakPolarHBondContact O-CD 3.3Å; E60-Q78 HydrophobicContact CG-CG 4.39Å; E60-Q78 PolarHBondContact OE1-NE2 3.45Å; E60-Y80 HydrophobicContact CB-CD1 4.29Å; E60-Y80 HydrophobicContact CB-CE1 4.34Å; E60-Y80 HydrophobicContact CG-CD1 4.2Å; E60-Y80 HydrophobicContact CG-CE1 3.96Å; E60-I99 HydrophobicContact CB-CD1 3.85Å; E60-G215 PolarHBondContact OE1-N 3.44Å; E60-G215 PolarHBondContact OE2-N 2.65Å; E60-L216 PolarHBondContact OE1-N 3.21Å |
| 61 | F | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 93.9 | 173.5 | -162.4 | -59.8 | 0 | 0 | 0 | 109.1 | F42 I58 F77 A79 V81 L110 C113 L114 F117 | F42-F61 HydrophobicContact CD1-CB 4.47Å; F42-F61 HydrophobicContact CD1-CD1 4.45Å; F42-F61 HydrophobicContact CD1-CD2 4.06Å; F42-F61 HydrophobicContact CD1-CE2 4.43Å; F42-F61 HydrophobicContact CD1-CG 4.07Å; F42-F61 HydrophobicContact CE1-CB 4.48Å; F42-F61 AromaticContact CE1-CD1 3.75Å; F42-F61 HydrophobicContact CE1-CD1 3.75Å; F42-F61 AromaticContact CE1-CD2 3.45Å; F42-F61 HydrophobicContact CE1-CD2 3.45Å; F42-F61 VanDerWaalsContact CE1-CD2 3.45Å; F42-F61 AromaticContact CE1-CE1 3.72Å; F42-F61 HydrophobicContact CE1-CE1 3.72Å; F42-F61 AromaticContact CE1-CE2 3.42Å; F42-F61 HydrophobicContact CE1-CE2 3.42Å; F42-F61 VanDerWaalsContact CE1-CE2 3.42Å; F42-F61 AromaticContact CE1-CG 3.62Å; F42-F61 HydrophobicContact CE1-CG 3.62Å; F42-F61 AromaticContact CE1-CZ 3.56Å; F42-F61 HydrophobicContact CE1-CZ 3.56Å; F42-F61 HydrophobicContact CZ-CD2 4.03Å; F42-F61 HydrophobicContact CZ-CE1 4.31Å; F42-F61 AromaticContact CZ-CE2 3.58Å; F42-F61 HydrophobicContact CZ-CE2 3.58Å; F42-F61 AromaticContact CZ-CZ 3.74Å; F42-F61 HydrophobicContact CZ-CZ 3.74Å; I58-F61 HydrophobicContact CD1-CD2 4.42Å; I58-F61 HydrophobicContact CG2-CB 4.22Å; I58-F61 HydrophobicContact CG2-CD2 4.35Å; F61-F77 HydrophobicContact CD1-CD1 4.13Å; F61-F77 AromaticContact CD1-CE1 3.78Å; F61-F77 HydrophobicContact CD1-CE1 3.78Å; F61-F77 HydrophobicContact CE1-CE1 4.47Å; F61-F77 HydrophobicContact CG-CE1 4.44Å; F61-F77 VanDerWaalsContact O-CD1 3.31Å; F61-F77 WeakPolarHBondContact O-CD1 3.41Å; F61-F77 VanDerWaalsContact O-CE1 3.29Å; F61-F77 WeakPolarHBondContact O-CE1 3.38Å; F61-A79 PolarHBondContact N-O 3.32Å; F61-A79 PolarHBondContact O-N 2.72Å; F61-V81 HydrophobicContact CB-CG2 4Å; F61-L110 HydrophobicContact CD2-CD1 4.33Å; F61-C113 WeakPolarHBondContact CB-SG 3.28Å; F61-L114 HydrophobicContact CE2-CD2 3.77Å; F61-L114 HydrophobicContact CZ-CD2 4.11Å; F61-F117 HydrophobicContact CD1-CD2 4.29Å; F61-F117 HydrophobicContact CD1-CG 4.47Å; F61-F117 HydrophobicContact CE1-CB 4.2Å; F61-F117 AromaticContact CE1-CD1 3.86Å; F61-F117 HydrophobicContact CE1-CD1 3.86Å; F61-F117 AromaticContact CE1-CD2 3.64Å; F61-F117 HydrophobicContact CE1-CD2 3.64Å; F61-F117 HydrophobicContact CE1-CE1 4.1Å; F61-F117 AromaticContact CE1-CE2 3.9Å; F61-F117 HydrophobicContact CE1-CE2 3.9Å; F61-F117 AromaticContact CE1-CG 3.61Å; F61-F117 HydrophobicContact CE1-CG 3.61Å; F61-F117 HydrophobicContact CE1-CZ 4.12Å; F61-F117 HydrophobicContact CZ-CB 4.5Å; F61-F117 AromaticContact CZ-CD1 3.92Å; F61-F117 HydrophobicContact CZ-CD1 3.92Å; F61-F117 HydrophobicContact CZ-CD2 4.49Å; F61-F117 HydrophobicContact CZ-CE1 4.25Å; F61-F117 HydrophobicContact CZ-CG 4.05Å |
| 62 | P | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 158 | 175.5 | 31.2 | -17.4 | 0 | 0 | 0 | 112.1 | D41 E60 F77 Q78 G215 L216 | D41-P62 VanDerWaalsContact O-CD 3.28Å; D41-P62 WeakPolarHBondContact O-CD 3.48Å; D41-P62 WeakPolarHBondContact O-CG 3.41Å; E60-P62 HydrophobicContact CG-CG 4.24Å; E60-P62 WeakPolarHBondContact O-CD 3.3Å; P62-F77 CarbonylContact C-O 3.17Å; P62-F77 VanDerWaalsContact CA-O 3.23Å; P62-F77 WeakPolarHBondContact CA-O 3.45Å; P62-Q78 HydrophobicContact CB-CG 4.48Å; P62-G215 WeakPolarHBondContact CG-O 3.31Å; P62-L216 HydrophobicContact CB-CB 3.95Å; P62-L216 HydrophobicContact CB-CD1 4.2Å |
| 63 | A | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 144.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I38 V39 I40 E76 F77 F117 W120 | I38-A63 HydrophobicContact CG2-CB 3.93Å; V39-A63 CarbonylContact O-C 3.47Å; V39-A63 VanDerWaalsContact O-CA 3.25Å; V39-A63 WeakPolarHBondContact O-CA 3.18Å; I40-A63 HydrophobicContact CG1-CB 3.9Å; A63-E76 CarbonylContact O-C 3.56Å; A63-E76 WeakPolarHBondContact O-CA 3.44Å; A63-F77 HydrophobicContact CB-CB 4.28Å; A63-F77 PolarHBondContact N-O 3.47Å; A63-F77 PolarHBondContact O-N 3.27Å; A63-F117 HydrophobicContact CB-CE2 3.61Å; A63-F117 HydrophobicContact CB-CZ 4.22Å; A63-W120 HydrophobicContact CB-CH2 3.8Å; A63-W120 HydrophobicContact CB-CZ3 3.92Å |
| 64 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.4 | 174.4 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | I38 V39 I73 E76 L216 R220 A223 | I38-V64 WeakPolarHBondContact CA-O 3.41Å; V39-V64 HydrophobicContact CB-CG2 3.84Å; V39-V64 HydrophobicContact CG2-CG2 4.34Å; V39-V64 PolarHBondContact N-O 3.18Å; V39-V64 PolarHBondContact O-N 3.26Å; V64-I73 HydrophobicContact CB-CD1 4.28Å; V64-I73 HydrophobicContact CB-CG2 3.95Å; V64-I73 HydrophobicContact CG1-CG2 4.5Å; V64-I73 HydrophobicContact CG2-CD1 4.2Å; V64-E76 HydrophobicContact CB-CG 4.4Å; V64-E76 HydrophobicContact CG1-CB 4.32Å; V64-E76 HydrophobicContact CG1-CG 3.85Å; V64-L216 HydrophobicContact CG1-CD1 3.68Å; V64-R220 HydrophobicContact CG1-CG 4.07Å; V64-A223 HydrophobicContact CG2-CB 3.89Å |
| 65 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 103.4 | 178.9 | 179.3 | 72.5 | 0 | 0 | 0 | 110.2 | Y36 I38 I73 E74 S75 I124 K128 I130 | Y36-L65 HydrophobicContact CD1-CD1 3.88Å; Y36-L65 HydrophobicContact CD1-CD2 4.29Å; Y36-L65 HydrophobicContact CD1-CG 3.98Å; Y36-L65 HydrophobicContact CE1-CD2 4.48Å; Y36-L65 HydrophobicContact CG-CD1 4.13Å; I38-L65 HydrophobicContact CD1-CD1 4.2Å; I38-L65 HydrophobicContact CG1-CD1 3.64Å; L65-I73 CarbonylContact O-C 3.6Å; L65-I73 WeakPolarHBondContact O-CA 3.04Å; L65-E74 HydrophobicContact CD2-CB 4.32Å; L65-E74 PolarHBondContact O-N 3.41Å; L65-S75 PolarHBondContact N-O 2.98Å; L65-I124 HydrophobicContact CB-CD1 4.39Å; L65-I124 HydrophobicContact CD1-CG2 4.13Å; L65-I124 HydrophobicContact CD2-CD1 4.09Å; L65-I124 HydrophobicContact CD2-CG1 4.2Å; L65-I124 HydrophobicContact CD2-CG2 3.84Å; L65-K128 HydrophobicContact CD2-CG 4.49Å; L65-I130 HydrophobicContact CD1-CD1 4.38Å |
| 66 | L | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.5 | 176.4 | 174.7 | 69.2 | 0 | 0 | 0 | 111.1 | Y36 L37 A223 A226 W227 | Y36-L66 CarbonylContact C-O 3.55Å; Y36-L66 VanDerWaalsContact CA-O 3.3Å; Y36-L66 WeakPolarHBondContact CA-O 3.48Å; L37-L66 HydrophobicContact CB-CB 4.42Å; L37-L66 HydrophobicContact CD1-CD2 4.35Å; L37-L66 PolarHBondContact N-O 3.19Å; L37-L66 PolarHBondContact O-N 2.88Å; L66-A223 HydrophobicContact CB-CB 4.26Å; L66-A223 HydrophobicContact CD1-CB 4.49Å; L66-A223 HydrophobicContact CD2-CB 4.16Å; L66-A223 WeakPolarHBondContact CD2-O 3.44Å; L66-A226 HydrophobicContact CD2-CB 4.19Å; L66-W227 HydrophobicContact CD1-CB 4.41Å; L66-W227 HydrophobicContact CD2-CB 4.26Å |
| 67 | N | 97.3 | Very high | 97.7 | Very high | 14 Ų | 14 | 27.2 Ų | 27.2 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.2 | 166.2 | 177.5 | -28.7 | 0 | 0 | 0 | 109.9 | Y36 S69 T70 G71 Q72 E74 | Y36-N67 HydrophobicContact CD1-CB 4.12Å; Y36-N67 HydrophobicContact CE1-CB 3.81Å; N67-S69 VanDerWaalsContact C-N 3.33Å; N67-S69 PolarHBondContact O-N 3.21Å; N67-S69 WeakPolarHBondContact OD1-CA 3.43Å; N67-S69 WeakPolarHBondContact OD1-CB 3.31Å; N67-S69 PolarHBondContact OD1-N 3.05Å; N67-S69 PolarHBondContact OD1-OG 2.9Å; N67-T70 WeakPolarHBondContact CB-OG1 3.3Å; N67-T70 VanDerWaalsContact CG-OG1 3.3Å; N67-T70 PolarHBondContact OD1-N 2.87Å; N67-G71 VanDerWaalsContact O-CA 3.32Å; N67-G71 WeakPolarHBondContact O-CA 3.35Å; N67-G71 PolarHBondContact O-N 3.37Å; N67-Q72 PolarHBondContact N-O 2.94Å; N67-E74 HydrophobicContact CB-CG 4.2Å; N67-E74 VanDerWaalsContact CB-OE1 3.25Å; N67-E74 WeakPolarHBondContact CB-OE1 3.27Å; N67-E74 PolarHBondContact ND2-OE1 3.35Å |
| 68 | T | 96.1 | Very high | 97.8 | Very high | 14 Ų | 14 | 31 Ų | 31 | 9% | 0.086 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -20 | -175 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | F34 D35 L37 I230 | F34-T68 WeakPolarHBondContact O-CB 3.26Å; F34-T68 WeakPolarHBondContact O-CG2 3.33Å; F34-T68 PolarHBondContact O-OG1 3.01Å; D35-T68 PolarHBondContact O-N 2.78Å; D35-T68 PolarHBondContact O-OG1 2.75Å; L37-T68 HydrophobicContact CD1-CG2 3.84Å; L37-T68 HydrophobicContact CG-CG2 3.74Å; T68-I230 HydrophobicContact CG2-CD1 3.96Å |
| 69 | S | 94.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 59% | 0.594 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -37.5 | -179.7 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | N67 | N67-S69 VanDerWaalsContact C-N 3.33Å; N67-S69 PolarHBondContact O-N 3.21Å; N67-S69 WeakPolarHBondContact OD1-CA 3.43Å; N67-S69 WeakPolarHBondContact OD1-CB 3.31Å; N67-S69 PolarHBondContact OD1-N 3.05Å; N67-S69 PolarHBondContact OD1-OG 2.9Å |
| 70 | T | 95.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 38% | 0.38 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -40 | 179.7 | 62.5 | 0 | 0 | 0 | 0 | 112.4 | N67 Q72 W227 | N67-T70 WeakPolarHBondContact CB-OG1 3.3Å; N67-T70 VanDerWaalsContact CG-OG1 3.3Å; N67-T70 PolarHBondContact OD1-N 2.87Å; T70-Q72 PolarHBondContact OG1-N 3.39Å; T70-Q72 VanDerWaalsContact OG1-N 3.15Å; T70-W227 PolarHBondContact O-NE1 2.96Å |
| 71 | G | 95.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 34.7 Ų | 34.7 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | trans | 87.7 | 7.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115 | N67 | N67-G71 VanDerWaalsContact O-CA 3.32Å; N67-G71 WeakPolarHBondContact O-CA 3.35Å; N67-G71 PolarHBondContact O-N 3.37Å | ||
| 72 | Q | 97.7 | Very high | 97.8 | Very high | 127 Ų | 127 | 38 Ų | 38 | 59% | 0.593 | 20% | 0.201 | S | C | * | . | trans | -85.1 | 145.5 | 177.7 | -68.4 | 174.2 | -29.7 | 0 | 0 | 110.8 | N67 T70 | N67-Q72 PolarHBondContact N-O 2.94Å; T70-Q72 PolarHBondContact OG1-N 3.39Å; T70-Q72 VanDerWaalsContact OG1-N 3.15Å | ||
| 73 | I | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 31% | 0.308 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 121.5 | 164.1 | -63.9 | 174.2 | 0 | 0 | 0 | 106.6 | V64 L65 E76 R220 A223 | V64-I73 HydrophobicContact CB-CD1 4.28Å; V64-I73 HydrophobicContact CB-CG2 3.95Å; V64-I73 HydrophobicContact CG1-CG2 4.5Å; V64-I73 HydrophobicContact CG2-CD1 4.2Å; L65-I73 CarbonylContact O-C 3.6Å; L65-I73 WeakPolarHBondContact O-CA 3.04Å; I73-E76 HydrophobicContact CG2-CG 3.71Å; I73-R220 HydrophobicContact CD1-CB 4.24Å; I73-R220 HydrophobicContact CD1-CG 3.98Å; I73-A223 HydrophobicContact CD1-CB 4.3Å |
| 74 | E | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 43.4 Ų | 43.4 | 29% | 0.285 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | -11 | -173 | -64.1 | -169.7 | -176.1 | 0 | 0 | 113.7 | L65 N67 K128 | L65-E74 HydrophobicContact CD2-CB 4.32Å; L65-E74 PolarHBondContact O-N 3.41Å; N67-E74 HydrophobicContact CB-CG 4.2Å; N67-E74 VanDerWaalsContact CB-OE1 3.25Å; N67-E74 WeakPolarHBondContact CB-OE1 3.27Å; N67-E74 PolarHBondContact ND2-OE1 3.35Å; E74-K128 WeakPolarHBondContact OE2-CE 3.4Å; E74-K128 IonicContact OE2-NZ 3.89Å; E74-K128 PolarHBondContact OE2-NZ 3.25Å |
| 75 | S | 98.1 | Very high | 97.4 | Very high | 34 Ų | 34 | 46.7 Ų | 46.7 | 24% | 0.238 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 149.2 | 174 | -163 | 0 | 0 | 0 | 0 | 110 | L65 W120 | L65-S75 PolarHBondContact N-O 2.98Å; S75-W120 PolarHBondContact OG-NE1 2.9Å |
| 76 | E | 98.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 49.6 Ų | 49.6 | 35% | 0.346 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.5 | 175.4 | -56.1 | -167.1 | 137.2 | 0 | 0 | 109.9 | A63 V64 I73 W120 L216 R220 | A63-E76 CarbonylContact O-C 3.56Å; A63-E76 WeakPolarHBondContact O-CA 3.44Å; V64-E76 HydrophobicContact CB-CG 4.4Å; V64-E76 HydrophobicContact CG1-CB 4.32Å; V64-E76 HydrophobicContact CG1-CG 3.85Å; I73-E76 HydrophobicContact CG2-CG 3.71Å; E76-W120 PolarHBondContact O-NE1 3.26Å; E76-L216 HydrophobicContact CB-CD1 4.47Å; E76-R220 WeakPolarHBondContact OE1-CG 3.4Å; E76-R220 IonicContact OE1-CZ 3.56Å; E76-R220 IonicContact OE1-NE 3.54Å; E76-R220 PolarHBondContact OE1-NE 3.29Å; E76-R220 IonicContact OE1-NH2 2.72Å; E76-R220 IonicContact OE2-CZ 3.85Å; E76-R220 IonicContact OE2-NE 2.8Å; E76-R220 IonicContact OE2-NH2 2.81Å; E76-R220 PolarHBondContact OE2-NH2 2.7Å |
| 77 | F | 98.6 | Very high | 97.1 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.8 | 169.8 | 177.8 | -91.3 | 0 | 0 | 0 | 107.6 | F61 P62 A63 A79 Q116 F117 W120 | F61-F77 HydrophobicContact CD1-CD1 4.13Å; F61-F77 AromaticContact CD1-CE1 3.78Å; F61-F77 HydrophobicContact CD1-CE1 3.78Å; F61-F77 HydrophobicContact CE1-CE1 4.47Å; F61-F77 HydrophobicContact CG-CE1 4.44Å; F61-F77 VanDerWaalsContact O-CD1 3.31Å; F61-F77 WeakPolarHBondContact O-CD1 3.41Å; F61-F77 VanDerWaalsContact O-CE1 3.29Å; F61-F77 WeakPolarHBondContact O-CE1 3.38Å; P62-F77 CarbonylContact C-O 3.17Å; P62-F77 VanDerWaalsContact CA-O 3.23Å; P62-F77 WeakPolarHBondContact CA-O 3.45Å; A63-F77 HydrophobicContact CB-CB 4.28Å; A63-F77 PolarHBondContact N-O 3.47Å; A63-F77 PolarHBondContact O-N 3.27Å; F77-A79 HydrophobicContact CE1-CB 3.97Å; F77-A79 HydrophobicContact CZ-CB 3.96Å; F77-Q116 HydrophobicContact CE2-CB 4.06Å; F77-Q116 HydrophobicContact CZ-CB 4.14Å; F77-F117 AromaticContact CD1-CD2 3.79Å; F77-F117 HydrophobicContact CD1-CD2 3.79Å; F77-F117 HydrophobicContact CD1-CE2 4.42Å; F77-F117 HydrophobicContact CD2-CD2 4.37Å; F77-F117 HydrophobicContact CE1-CB 4.25Å; F77-F117 AromaticContact CE1-CD2 3.97Å; F77-F117 HydrophobicContact CE1-CD2 3.97Å; F77-F117 HydrophobicContact CE2-CB 4.42Å; F77-F117 HydrophobicContact CG-CD2 4.01Å; F77-F117 HydrophobicContact CZ-CB 4.02Å; F77-F117 HydrophobicContact CZ-CD2 4.35Å; F77-W120 HydrophobicContact CB-CD2 3.76Å; F77-W120 HydrophobicContact CB-CE3 4.24Å; F77-W120 HydrophobicContact CB-CG 4.06Å; F77-W120 HydrophobicContact CB-CH2 4.4Å; F77-W120 HydrophobicContact CB-CZ2 3.92Å; F77-W120 HydrophobicContact CD2-CB 3.88Å; F77-W120 HydrophobicContact CD2-CD2 4.35Å; F77-W120 AromaticContact CD2-CG 3.87Å; F77-W120 HydrophobicContact CD2-CG 3.87Å; F77-W120 HydrophobicContact CE2-CB 4.42Å; F77-W120 HydrophobicContact CG-CD2 4.37Å; F77-W120 HydrophobicContact CG-CG 4.35Å |
| 78 | Q | 98.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 132.3 | 170.5 | -169.5 | -177.5 | 30.9 | 0 | 0 | 108 | E60 P62 L216 | E60-Q78 HydrophobicContact CG-CG 4.39Å; E60-Q78 PolarHBondContact OE1-NE2 3.45Å; P62-Q78 HydrophobicContact CB-CG 4.48Å; Q78-L216 HydrophobicContact CB-CD2 4.21Å; Q78-L216 HydrophobicContact CG-CB 4.37Å; Q78-L216 HydrophobicContact CG-CD2 4.33Å |
| 79 | A | 98.6 | Very high | 97.2 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | F61 F77 | F61-A79 PolarHBondContact N-O 3.32Å; F61-A79 PolarHBondContact O-N 2.72Å; F77-A79 HydrophobicContact CE1-CB 3.97Å; F77-A79 HydrophobicContact CZ-CB 3.96Å |
| 80 | Y | 98.8 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.9 Ų | 54.9 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 139.5 | 163.8 | -64 | -65.9 | 0 | 0 | 0 | 109.3 | I59 E60 I99 Q103 G107 V108 | I59-Y80 WeakPolarHBondContact O-CA 3.06Å; E60-Y80 HydrophobicContact CB-CD1 4.29Å; E60-Y80 HydrophobicContact CB-CE1 4.34Å; E60-Y80 HydrophobicContact CG-CD1 4.2Å; E60-Y80 HydrophobicContact CG-CE1 3.96Å; Y80-I99 HydrophobicContact CD1-CG2 4.14Å; Y80-I99 HydrophobicContact CE1-CD1 4.3Å; Y80-I99 HydrophobicContact CE1-CG1 4.06Å; Y80-I99 HydrophobicContact CE1-CG2 4.25Å; Y80-Q103 WeakPolarHBondContact CB-O 3.17Å; Y80-Q103 HydrophobicContact CD2-CB 4.21Å; Y80-Q103 VanDerWaalsContact CE2-NE2 3.3Å; Y80-Q103 HydrophobicContact CG-CB 4.24Å; Y80-Q103 PolarHBondContact OH-NE2 2.94Å; Y80-G107 WeakPolarHBondContact O-CA 3.41Å; Y80-V108 PolarHBondContact O-N 2.89Å |
| 81 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 131.1 | -172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | I58 I59 F61 P83 V108 L110 C113 | I58-V81 HydrophobicContact CG2-CB 4.36Å; I58-V81 HydrophobicContact CG2-CG2 4.1Å; I58-V81 WeakPolarHBondContact O-CB 3.22Å; I58-V81 VanDerWaalsContact O-CG1 3.24Å; I58-V81 WeakPolarHBondContact O-CG1 3.28Å; I59-V81 WeakPolarHBondContact CA-O 3.3Å; I59-V81 PolarHBondContact O-N 2.92Å; F61-V81 HydrophobicContact CB-CG2 4Å; V81-P83 VanDerWaalsContact O-CD 3.3Å; V81-P83 WeakPolarHBondContact O-CD 3.3Å; V81-V108 VanDerWaalsContact CA-O 3.28Å; V81-V108 WeakPolarHBondContact CA-O 3.16Å; V81-L110 HydrophobicContact CG1-CB 4Å; V81-L110 HydrophobicContact CG1-CD1 4.39Å; V81-C113 HydrophobicContact CG2-CB 3.88Å |
| 82 | Q | 98.4 | Very high | 97.5 | Very high | 68 Ų | 68 | 60.4 Ų | 60.4 | 32% | 0.318 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 116.9 | 179.2 | -174.1 | 178.7 | 80 | 0 | 0 | 110.2 | V104 D105 V108 | Q82-V104 WeakPolarHBondContact CA-O 3.42Å; Q82-V104 VanDerWaalsContact CB-O 3.32Å; Q82-V104 WeakPolarHBondContact CB-O 3.36Å; Q82-V104 WeakPolarHBondContact CG-O 3.49Å; Q82-D105 PolarHBondContact NE2-O 3.37Å; Q82-V108 PolarHBondContact N-O 2.67Å |
| 83 | P | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | trans | -72.7 | 146.8 | 171.9 | 25.6 | -24.1 | 0 | 0 | 0 | 110.7 | T45 E57 I59 V81 H86 L89 V104 | T45-P83 HydrophobicContact CG2-CB 3.93Å; T45-P83 HydrophobicContact CG2-CG 4.15Å; E57-P83 HydrophobicContact CB-CB 4.06Å; E57-P83 VanDerWaalsContact OE2-CB 3.31Å; E57-P83 WeakPolarHBondContact OE2-CB 3.39Å; I59-P83 HydrophobicContact CG2-CB 4.29Å; I59-P83 HydrophobicContact CG2-CG 3.92Å; V81-P83 VanDerWaalsContact O-CD 3.3Å; V81-P83 WeakPolarHBondContact O-CD 3.3Å; P83-H86 WeakPolarHBondContact CB-O 3.19Å; P83-H86 WeakPolarHBondContact CG-O 3.15Å; P83-L89 HydrophobicContact CG-CD2 4.45Å; P83-V104 HydrophobicContact CG-CG2 4.47Å | ||
| 84 | Q | 95.2 | Very high | 97.4 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -125.1 | -29.1 | -170.8 | -58.5 | 179.9 | -78.1 | 0 | 0 | 112.1 | E57 | E57-Q84 PolarHBondContact OE1-N 3.17Å; E57-Q84 PolarHBondContact OE2-N 2.9Å |
| 85 | E | 94.7 | Very high | 97.4 | Very high | 69 Ų | 69 | 58.3 Ų | 58.3 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -81.5 | -34.3 | 171.4 | -59.4 | 168 | -129.5 | 0 | 0 | 110.7 | S55 E57 R167 | S55-E85 VanDerWaalsContact CB-OE2 3.24Å; S55-E85 WeakPolarHBondContact CB-OE2 3.42Å; E57-E85 VanDerWaalsContact CD-N 3.3Å; E57-E85 HydrophobicContact CG-CB 4.39Å; E57-E85 PolarHBondContact OE1-N 2.85Å; E57-E85 WeakPolarHBondContact OE2-CA 3.42Å; E57-E85 WeakPolarHBondContact OE2-CB 3.15Å; E57-E85 PolarHBondContact OE2-N 2.8Å; E85-R167 VanDerWaalsContact CD-NE 3.26Å; E85-R167 IonicContact OE1-CZ 2.71Å; E85-R167 IonicContact OE1-NE 3.72Å; E85-R167 PolarHBondContact OE1-NE 2.81Å; E85-R167 IonicContact OE1-NH2 2.7Å; E85-R167 PolarHBondContact OE1-NH2 2.91Å; E85-R167 IonicContact OE2-CZ 3.36Å; E85-R167 IonicContact OE2-NE 2.89Å; E85-R167 PolarHBondContact OE2-NE 3.16Å; E85-R167 IonicContact OE2-NH2 3.2Å; E85-R167 PolarHBondContact OE2-NH2 3.37Å |
| 86 | H | 95.3 | Very high | 97.2 | Very high | 61 Ų | 61 | 58 Ų | 58 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -136.7 | 69.3 | -179.4 | -62.2 | -81.8 | 0 | 0 | 0 | 111 | W47 S55 E57 P83 I88 | W47-H86 HydrophobicContact CH2-CB 4.2Å; W47-H86 AromaticContact CH2-CG 3.84Å; W47-H86 HydrophobicContact CZ2-CB 3.86Å; W47-H86 AromaticContact CZ2-CG 3.65Å; W47-H86 AromaticContact CZ2-ND1 3.72Å; S55-H86 PolarHBondContact O-CD2 2.98Å; S55-H86 PolarHBondContact OG-NE2 2.94Å; E57-H86 IonicContact OE2-CD2 3.59Å; E57-H86 PolarHBondContact OE2-N 3.22Å; P83-H86 WeakPolarHBondContact CB-O 3.19Å; P83-H86 WeakPolarHBondContact CG-O 3.15Å; H86-I88 VanDerWaalsContact C-N 3.28Å; H86-I88 PolarHBondContact O-N 2.72Å |
| 87 | P | 96.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | trans | -60.1 | -33.5 | -173.7 | 22.1 | -33.5 | 0 | 0 | 0 | 114 | Q101 | P87-Q101 PolarHBondContact O-NE2 3.32Š| ||
| 88 | I | 97.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 55 Ų | 55 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -89.7 | 119 | 179.3 | -52.2 | -56.5 | 0 | 0 | 0 | 110.4 | H86 | H86-I88 VanDerWaalsContact C-N 3.28Å; H86-I88 PolarHBondContact O-N 2.72Å |
| 89 | L | 97.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 140.7 | 174.4 | -56.8 | -176 | 0 | 0 | 0 | 110.5 | T45 I59 P83 C93 M94 I99 V104 | T45-L89 HydrophobicContact CG2-CD2 4.05Å; I59-L89 HydrophobicContact CD1-CD1 4.45Å; I59-L89 HydrophobicContact CD1-CD2 3.96Å; I59-L89 HydrophobicContact CG2-CD2 4.14Å; P83-L89 HydrophobicContact CG-CD2 4.45Å; L89-C93 HydrophobicContact CB-CB 4.45Å; L89-M94 HydrophobicContact CB-CG 3.77Å; L89-M94 HydrophobicContact CB-SD 4.25Å; L89-M94 HydrophobicContact CD1-CG 3.92Å; L89-I99 HydrophobicContact CD1-CG2 4.39Å; L89-V104 HydrophobicContact CD1-CG1 4.13Å; L89-V104 HydrophobicContact CD1-CG2 3.86Å; L89-V104 HydrophobicContact CD2-CG2 4.2Å; L89-V104 HydrophobicContact CG-CG2 3.88Å |
| 90 | S | 96.8 | Very high | 97.1 | Very high | 29 Ų | 29 | 57.5 Ų | 57.5 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 151.2 | 168.5 | 79.4 | 0 | 0 | 0 | 0 | 110.7 | C46 F92 C93 M94 | C46-S90 PolarHBondContact O-OG 2.83Å; S90-F92 PolarHBondContact O-N 2.83Å; S90-C93 WeakPolarHBondContact O-CA 3.35Å; S90-C93 VanDerWaalsContact O-CB 3.24Å; S90-C93 WeakPolarHBondContact O-CB 3.5Å; S90-C93 PolarHBondContact O-N 2.9Å; S90-C93 PolarHBondContact OG-N 2.7Å; S90-M94 PolarHBondContact O-N 3.42Å; S90-M94 VanDerWaalsContact O-N 3.1Å |
| 91 | E | 96.8 | Very high | 97.1 | Very high | 160 Ų | 160 | 56.1 Ų | 56.1 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -49.3 | -47.1 | 173.4 | -62.6 | 174 | 144.7 | 0 | 0 | 110.9 | C93 M94 E95 | E91-C93 VanDerWaalsContact C-N 3.26Å; E91-C93 PolarHBondContact O-N 3.17Å; E91-M94 PolarHBondContact O-N 2.84Å; E91-M94 VanDerWaalsContact O-N 3.08Å; E91-E95 WeakPolarHBondContact O-CG 3.43Å; E91-E95 PolarHBondContact O-N 3.29Å |
| 92 | F | 96.6 | Very high | 97 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.6 | -34.8 | 175.5 | 179 | -99.3 | 0 | 0 | 0 | 113.6 | N48 S90 L96 L684 | N48-F92 HydrophobicContact CB-CB 4.17Å; N48-F92 HydrophobicContact CB-CD1 3.87Å; N48-F92 HydrophobicContact CB-CD2 3.75Å; N48-F92 HydrophobicContact CB-CE1 4.25Å; N48-F92 HydrophobicContact CB-CE2 4.13Å; N48-F92 HydrophobicContact CB-CG 3.61Å; N48-F92 HydrophobicContact CB-CZ 4.38Å; S90-F92 PolarHBondContact O-N 2.83Å; F92-L96 HydrophobicContact CE1-CB 4.43Å; F92-L96 HydrophobicContact CE1-CD2 3.76Å; F92-L96 HydrophobicContact CZ-CB 4.36Å; F92-L96 HydrophobicContact CZ-CD1 4.45Å; F92-L96 HydrophobicContact CZ-CD2 3.78Å; F92-L96 HydrophobicContact CZ-CG 4.45Å; F92-L96 WeakPolarHBondContact O-CB 3.46Å; F92-L96 PolarHBondContact O-N 2.86Å; F92-L684 HydrophobicContact CE1-CD2 3.55Å; F92-L684 HydrophobicContact CZ-CD1 4.3Å; F92-L684 HydrophobicContact CZ-CD2 3.51Å |
| 93 | C | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 175.9 | -163.2 | 0 | 0 | 0 | 0 | 111.4 | C46 L89 S90 E91 T97 | C46-C93 VanDerWaalsContact SG-SG 3.64Å; L89-C93 HydrophobicContact CB-CB 4.45Å; S90-C93 WeakPolarHBondContact O-CA 3.35Å; S90-C93 VanDerWaalsContact O-CB 3.24Å; S90-C93 WeakPolarHBondContact O-CB 3.5Å; S90-C93 PolarHBondContact O-N 2.9Å; S90-C93 PolarHBondContact OG-N 2.7Å; E91-C93 VanDerWaalsContact C-N 3.26Å; E91-C93 PolarHBondContact O-N 3.17Å; C93-T97 WeakPolarHBondContact O-CB 3.25Å; C93-T97 WeakPolarHBondContact O-CG2 3.4Å; C93-T97 PolarHBondContact O-N 2.95Å; C93-T97 PolarHBondContact O-OG1 3.32Å |
| 94 | M | 97.4 | Very high | 97 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 31% | 0.305 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 178.1 | -60.4 | -169.6 | -78.6 | 0 | 0 | 111.7 | L89 S90 E91 G98 I99 Q101 | L89-M94 HydrophobicContact CB-CG 3.77Å; L89-M94 HydrophobicContact CB-SD 4.25Å; L89-M94 HydrophobicContact CD1-CG 3.92Å; S90-M94 PolarHBondContact O-N 3.42Å; S90-M94 VanDerWaalsContact O-N 3.1Å; E91-M94 PolarHBondContact O-N 2.84Å; E91-M94 VanDerWaalsContact O-N 3.08Å; M94-G98 WeakPolarHBondContact O-CA 3.43Å; M94-G98 PolarHBondContact O-N 3.34Å; M94-I99 WeakPolarHBondContact CA-O 3.48Å; M94-I99 WeakPolarHBondContact CG-O 3.2Å; M94-Q101 HydrophobicContact SD-CB 4.22Å |
| 95 | E | 97 | Very high | 97.2 | Very high | 141 Ų | 141 | 56.1 Ų | 56.1 | 66% | 0.659 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.3 | -48.8 | 171.1 | -73.4 | -175.6 | 152.6 | 0 | 0 | 111.6 | E91 R211 | E91-E95 WeakPolarHBondContact O-CG 3.43Å; E91-E95 PolarHBondContact O-N 3.29Å; E95-R211 PolarHBondContact O-NH2 3.47Å |
| 96 | L | 95.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.3 | -47.2 | -173.6 | -172.8 | 66.3 | 0 | 0 | 0 | 111.6 | F92 R211 H213 L684 M688 | F92-L96 HydrophobicContact CE1-CB 4.43Å; F92-L96 HydrophobicContact CE1-CD2 3.76Å; F92-L96 HydrophobicContact CZ-CB 4.36Å; F92-L96 HydrophobicContact CZ-CD1 4.45Å; F92-L96 HydrophobicContact CZ-CD2 3.78Å; F92-L96 HydrophobicContact CZ-CG 4.45Å; F92-L96 WeakPolarHBondContact O-CB 3.46Å; F92-L96 PolarHBondContact O-N 2.86Å; L96-R211 PolarHBondContact O-NH1 2.95Å; L96-H213 VanDerWaalsContact CD1-CD2 3.48Å; L96-H213 WeakPolarHBondContact CD1-CD2 3.31Å; L96-H213 WeakPolarHBondContact O-CB 3.23Å; L96-L684 HydrophobicContact CD2-CD1 4.42Å; L96-L684 HydrophobicContact CD2-CD2 4.36Å; L96-M688 HydrophobicContact CD2-CB 4.37Å; L96-M688 HydrophobicContact CD2-CE 3.6Å; L96-M688 HydrophobicContact CD2-CG 3.92Å; L96-M688 HydrophobicContact CD2-SD 3.45Å; L96-M688 WeakPolarHBondContact CD2-SD 3.37Å; L96-M688 HydrophobicContact CG-CE 4.41Å |
| 97 | T | 96.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -90.5 | -27 | -175.2 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | E43 C93 I99 R211 H213 M688 | E43-T97 HydrophobicContact CB-CG2 4.13Å; E43-T97 HydrophobicContact CG-CG2 4Å; E43-T97 WeakPolarHBondContact OE2-CG2 3.39Å; C93-T97 WeakPolarHBondContact O-CB 3.25Å; C93-T97 WeakPolarHBondContact O-CG2 3.4Å; C93-T97 PolarHBondContact O-N 2.95Å; C93-T97 PolarHBondContact O-OG1 3.32Å; T97-I99 WeakPolarHBondContact OG1-CB 3.36Å; T97-I99 PolarHBondContact OG1-N 3.45Å; T97-R211 VanDerWaalsContact C-CZ 3.44Å; T97-R211 VanDerWaalsContact C-NH1 3.32Å; T97-R211 PolarHBondContact O-NH1 3.37Å; T97-H213 VanDerWaalsContact CA-O 3.22Å; T97-H213 WeakPolarHBondContact CA-O 3.22Å; T97-H213 VanDerWaalsContact O-O 3.13Å; T97-M688 HydrophobicContact CG2-CE 4.18Å |
| 98 | G | 97.3 | Very high | 97.5 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 32% | 0.32 | 30% | 0.295 | S | S | . | . | trans | 81.4 | -3.5 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | M94 R211 | M94-G98 WeakPolarHBondContact O-CA 3.43Å; M94-G98 PolarHBondContact O-N 3.34Å; G98-R211 VanDerWaalsContact N-NH2 3.2Å | ||
| 99 | I | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 28% | 0.279 | C | S | . | . | trans | -75 | 123.7 | 177.4 | -55.4 | 169.4 | 0 | 0 | 0 | 108.4 | E43 I59 E60 Y80 L89 M94 T97 Q103 V104 | E43-I99 HydrophobicContact CB-CD1 3.87Å; I59-I99 HydrophobicContact CD1-CD1 3.86Å; I59-I99 HydrophobicContact CG1-CD1 3.84Å; E60-I99 HydrophobicContact CB-CD1 3.85Å; Y80-I99 HydrophobicContact CD1-CG2 4.14Å; Y80-I99 HydrophobicContact CE1-CD1 4.3Å; Y80-I99 HydrophobicContact CE1-CG1 4.06Å; Y80-I99 HydrophobicContact CE1-CG2 4.25Å; L89-I99 HydrophobicContact CD1-CG2 4.39Å; M94-I99 WeakPolarHBondContact CA-O 3.48Å; M94-I99 WeakPolarHBondContact CG-O 3.2Å; T97-I99 WeakPolarHBondContact OG1-CB 3.36Å; T97-I99 PolarHBondContact OG1-N 3.45Å; I99-Q103 HydrophobicContact CG2-CB 4.13Å; I99-V104 HydrophobicContact CG2-CG1 3.84Å | ||
| 100 | K | 98.1 | Very high | 97.6 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | trans | -84.7 | 153.9 | 177 | -58.7 | 174.1 | -177 | 177.1 | 0 | 110.9 | A102 Q103 | K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3Å; K100-Q103 HydrophobicContact CB-CG 4.3Å; K100-Q103 WeakPolarHBondContact O-CB 3.28Å; K100-Q103 PolarHBondContact O-N 2.96Å | ||
| 101 | Q | 98.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -48.8 | -50.4 | 174.8 | -172.1 | 58.4 | 50.6 | 0 | 0 | 112.6 | P87 M94 Q103 V104 D105 | P87-Q101 PolarHBondContact O-NE2 3.32Å; M94-Q101 HydrophobicContact SD-CB 4.22Å; Q101-Q103 PolarHBondContact O-N 2.99Å; Q101-V104 WeakPolarHBondContact O-CG2 3.44Å; Q101-V104 PolarHBondContact O-N 2.99Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.34Å; Q101-D105 PolarHBondContact NE2-OD1 2.9Å; Q101-D105 PolarHBondContact O-N 2.96Å |
| 102 | A | 98.3 | Very high | 97.7 | Very high | 49 Ų | 49 | 54.5 Ų | 54.5 | 41% | 0.405 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.5 | -31.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | K100 V104 D105 E106 | K100-A102 VanDerWaalsContact C-N 3.33Å; K100-A102 PolarHBondContact O-N 3Å; A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 PolarHBondContact O-N 3.08Å; A102-D105 PolarHBondContact O-N 3.34Å; A102-E106 VanDerWaalsContact O-CB 3.28Å; A102-E106 WeakPolarHBondContact O-CB 3.48Å; A102-E106 VanDerWaalsContact O-CG 3.27Å; A102-E106 WeakPolarHBondContact O-CG 3.42Å; A102-E106 PolarHBondContact O-N 3.4Å |
| 103 | Q | 98.2 | Very high | 97.8 | Very high | 49 Ų | 49 | 53 Ų | 53 | 23% | 0.229 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -73.2 | -25.3 | 179.3 | -62.8 | 174.9 | -103 | 0 | 0 | 113 | Y80 I99 K100 Q101 G107 | Y80-Q103 WeakPolarHBondContact CB-O 3.17Å; Y80-Q103 HydrophobicContact CD2-CB 4.21Å; Y80-Q103 VanDerWaalsContact CE2-NE2 3.3Å; Y80-Q103 HydrophobicContact CG-CB 4.24Å; Y80-Q103 PolarHBondContact OH-NE2 2.94Å; I99-Q103 HydrophobicContact CG2-CB 4.13Å; K100-Q103 HydrophobicContact CB-CG 4.3Å; K100-Q103 WeakPolarHBondContact O-CB 3.28Å; K100-Q103 PolarHBondContact O-N 2.96Å; Q101-Q103 PolarHBondContact O-N 2.99Å; Q103-G107 PolarHBondContact O-N 3.27Å |
| 104 | V | 98 | Very high | 97.9 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -91.1 | -27.1 | 172.2 | -61.2 | 0 | 0 | 0 | 0 | 112 | I59 Q82 P83 L89 I99 Q101 A102 G107 | I59-V104 HydrophobicContact CB-CG1 3.81Å; I59-V104 HydrophobicContact CG2-CG1 4.15Å; Q82-V104 WeakPolarHBondContact CA-O 3.42Å; Q82-V104 VanDerWaalsContact CB-O 3.32Å; Q82-V104 WeakPolarHBondContact CB-O 3.36Å; Q82-V104 WeakPolarHBondContact CG-O 3.49Å; P83-V104 HydrophobicContact CG-CG2 4.47Å; L89-V104 HydrophobicContact CD1-CG1 4.13Å; L89-V104 HydrophobicContact CD1-CG2 3.86Å; L89-V104 HydrophobicContact CD2-CG2 4.2Å; L89-V104 HydrophobicContact CG-CG2 3.88Å; I99-V104 HydrophobicContact CG2-CG1 3.84Å; Q101-V104 WeakPolarHBondContact O-CG2 3.44Å; Q101-V104 PolarHBondContact O-N 2.99Å; A102-V104 VanDerWaalsContact C-N 3.34Å; A102-V104 PolarHBondContact O-N 3.08Å; V104-G107 PolarHBondContact O-N 2.6Å; V104-G107 VanDerWaalsContact O-N 3.13Å |
| 105 | D | 97.9 | Very high | 97.9 | Very high | 83 Ų | 83 | 53.1 Ų | 53.1 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 170.9 | -57.9 | -29.1 | 0 | 0 | 0 | 110.8 | Q82 Q101 A102 G107 | Q82-D105 PolarHBondContact NE2-O 3.37Å; Q101-D105 WeakPolarHBondContact CG-OD2 3.34Å; Q101-D105 PolarHBondContact NE2-OD1 2.9Å; Q101-D105 PolarHBondContact O-N 2.96Å; A102-D105 PolarHBondContact O-N 3.34Å; D105-G107 PolarHBondContact O-N 3.42Å |
| 106 | E | 98 | Very high | 98 | Very high | 164 Ų | 164 | 50 Ų | 50 | 77% | 0.766 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -74.6 | -6.9 | 170.7 | -66.4 | 169.7 | -161.6 | 0 | 0 | 113.1 | A102 | A102-E106 VanDerWaalsContact O-CB 3.28Å; A102-E106 WeakPolarHBondContact O-CB 3.48Å; A102-E106 VanDerWaalsContact O-CG 3.27Å; A102-E106 WeakPolarHBondContact O-CG 3.42Å; A102-E106 PolarHBondContact O-N 3.4Å |
| 107 | G | 97.8 | Very high | 98.1 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69.3 | 160.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y80 Q103 V104 D105 | Y80-G107 WeakPolarHBondContact O-CA 3.41Å; Q103-G107 PolarHBondContact O-N 3.27Å; V104-G107 PolarHBondContact O-N 2.6Å; V104-G107 VanDerWaalsContact O-N 3.13Å; D105-G107 PolarHBondContact O-N 3.42Å |
| 108 | V | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 50 Ų | 50 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 144.3 | 177.1 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | Y80 V81 Q82 I112 C113 | Y80-V108 PolarHBondContact O-N 2.89Å; V81-V108 VanDerWaalsContact CA-O 3.28Å; V81-V108 WeakPolarHBondContact CA-O 3.16Å; Q82-V108 PolarHBondContact N-O 2.67Å; V108-I112 HydrophobicContact CB-CB 4.14Å; V108-I112 HydrophobicContact CB-CG2 4.06Å; V108-I112 HydrophobicContact CG1-CG2 4.34Å; V108-I112 HydrophobicContact CG2-CB 4.44Å; V108-I112 HydrophobicContact CG2-CG2 4.39Å; V108-C113 HydrophobicContact CG2-CB 3.92Å |
| 109 | P | 98.3 | Very high | 98.2 | Very high | 43 Ų | 43 | 55.5 Ų | 55.5 | 28% | 0.279 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 146.7 | 173.2 | -26 | 35 | 0 | 0 | 0 | 112 | K111 I112 C113 | P109-K111 PolarHBondContact O-N 3.34Å; P109-I112 WeakPolarHBondContact O-CA 3.1Å; P109-I112 WeakPolarHBondContact O-CB 2.95Å; P109-I112 PolarHBondContact O-N 3.09Å; P109-C113 PolarHBondContact O-N 3.38Å; P109-C113 VanDerWaalsContact O-N 3.11Å |
| 110 | L | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -52.5 | -35.7 | -172.5 | 179.9 | 62.3 | 0 | 0 | 0 | 114.1 | I58 F61 V81 I112 C113 L114 L161 E164 L170 | I58-L110 HydrophobicContact CD1-CD1 4.27Å; F61-L110 HydrophobicContact CD2-CD1 4.33Å; V81-L110 HydrophobicContact CG1-CB 4Å; V81-L110 HydrophobicContact CG1-CD1 4.39Å; L110-I112 VanDerWaalsContact C-N 3.28Å; L110-I112 PolarHBondContact O-N 2.94Å; L110-C113 HydrophobicContact CD1-CB 4.48Å; L110-C113 PolarHBondContact O-N 3.45Å; L110-L114 HydrophobicContact CD1-CD1 4.27Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.04Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3.45Å; L110-L161 HydrophobicContact CD1-CD1 4.44Å; L110-L161 HydrophobicContact CD2-CD1 4.31Å; L110-E164 HydrophobicContact CD2-CB 4.41Å; L110-E164 VanDerWaalsContact CD2-CD 3.42Å; L110-E164 HydrophobicContact CD2-CG 3.73Å; L110-L170 HydrophobicContact CB-CD1 4.19Å; L110-L170 HydrophobicContact CD2-CD1 4.1Å; L110-L170 HydrophobicContact CG-CD1 4.09Å |
| 111 | K | 98.1 | Very high | 98.1 | Very high | 147 Ų | 147 | 50 Ų | 50 | 64% | 0.639 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -57.4 | -39.9 | 174.9 | -173.4 | 178.8 | 178.1 | -177.7 | 0 | 112.2 | P109 S115 L170 | P109-K111 PolarHBondContact O-N 3.34Å; K111-S115 PolarHBondContact O-N 2.9Å; K111-L170 HydrophobicContact CB-CD1 4.23Å; K111-L170 HydrophobicContact CB-CD2 3.86Å; K111-L170 HydrophobicContact CD-CD2 4.11Å; K111-L170 HydrophobicContact CG-CD2 4.05Å |
| 112 | I | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 53.5 Ų | 53.5 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -75.8 | -42.9 | 178.5 | -54.3 | -55.6 | 0 | 0 | 0 | 110.4 | V108 P109 L110 L114 S115 Q116 | V108-I112 HydrophobicContact CB-CB 4.14Å; V108-I112 HydrophobicContact CB-CG2 4.06Å; V108-I112 HydrophobicContact CG1-CG2 4.34Å; V108-I112 HydrophobicContact CG2-CB 4.44Å; V108-I112 HydrophobicContact CG2-CG2 4.39Å; P109-I112 WeakPolarHBondContact O-CA 3.1Å; P109-I112 WeakPolarHBondContact O-CB 2.95Å; P109-I112 PolarHBondContact O-N 3.09Å; L110-I112 VanDerWaalsContact C-N 3.28Å; L110-I112 PolarHBondContact O-N 2.94Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.46Å; I112-S115 WeakPolarHBondContact O-CB 3.41Å; I112-S115 PolarHBondContact O-N 2.76Å; I112-S115 VanDerWaalsContact O-N 3.08Å; I112-Q116 HydrophobicContact CG2-CG 4.48Å; I112-Q116 WeakPolarHBondContact O-CG 3.01Å; I112-Q116 PolarHBondContact O-N 2.88Å |
| 113 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -55.5 | -45.1 | 173.9 | -174.3 | 0 | 0 | 0 | 0 | 112 | F61 V81 V108 P109 L110 S115 Q116 F117 | F61-C113 WeakPolarHBondContact CB-SG 3.28Å; V81-C113 HydrophobicContact CG2-CB 3.88Å; V108-C113 HydrophobicContact CG2-CB 3.92Å; P109-C113 PolarHBondContact O-N 3.38Å; P109-C113 VanDerWaalsContact O-N 3.11Å; L110-C113 HydrophobicContact CD1-CB 4.48Å; L110-C113 PolarHBondContact O-N 3.45Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 3.29Å; C113-Q116 PolarHBondContact O-N 3.13Å; C113-F117 WeakPolarHBondContact O-CB 3.37Å; C113-F117 PolarHBondContact O-N 3.18Å |
| 114 | L | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 176.4 | -71.8 | 170.8 | 0 | 0 | 0 | 112.2 | F61 L110 I112 F117 C118 L161 P173 | F61-L114 HydrophobicContact CE2-CD2 3.77Å; F61-L114 HydrophobicContact CZ-CD2 4.11Å; L110-L114 HydrophobicContact CD1-CD1 4.27Å; L110-L114 HydrophobicContact CD1-CG 4.06Å; L110-L114 HydrophobicContact CG-CD1 4.04Å; L110-L114 HydrophobicContact CG-CG 4.3Å; L110-L114 WeakPolarHBondContact O-CB 3.49Å; L110-L114 WeakPolarHBondContact O-CG 3.32Å; L110-L114 PolarHBondContact O-N 3.45Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.46Å; L114-F117 PolarHBondContact O-N 3.38Å; L114-C118 WeakPolarHBondContact O-CB 3.12Å; L114-C118 PolarHBondContact O-N 3.36Å; L114-C118 PolarHBondContact O-SG 3.49Å; L114-L161 HydrophobicContact CD1-CD1 4.37Å; L114-L161 HydrophobicContact CD2-CD1 4.12Å; L114-P173 HydrophobicContact CD2-CG 4.28Å |
| 115 | S | 98.1 | Very high | 97.4 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 112.2 | K111 I112 C113 F117 C118 K119 | K111-S115 PolarHBondContact O-N 2.9Å; I112-S115 WeakPolarHBondContact O-CB 3.41Å; I112-S115 PolarHBondContact O-N 2.76Å; I112-S115 VanDerWaalsContact O-N 3.08Å; C113-S115 VanDerWaalsContact C-N 3.35Å; C113-S115 PolarHBondContact O-N 3.29Å; S115-F117 VanDerWaalsContact C-N 3.34Å; S115-F117 PolarHBondContact O-N 2.75Å; S115-C118 PolarHBondContact O-N 3.32Å; S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 2.92Å |
| 116 | Q | 98.4 | Very high | 97.1 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -42.8 | 174.7 | -68.9 | 172.2 | -8.6 | 0 | 0 | 111.4 | F77 I112 C113 K119 W120 | F77-Q116 HydrophobicContact CE2-CB 4.06Å; F77-Q116 HydrophobicContact CZ-CB 4.14Å; I112-Q116 HydrophobicContact CG2-CG 4.48Å; I112-Q116 WeakPolarHBondContact O-CG 3.01Å; I112-Q116 PolarHBondContact O-N 2.88Å; C113-Q116 PolarHBondContact O-N 3.13Å; Q116-K119 WeakPolarHBondContact O-CB 3.48Å; Q116-K119 PolarHBondContact O-N 3.29Å; Q116-W120 PolarHBondContact O-N 2.7Å |
| 117 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176.8 | -173.1 | -113 | 0 | 0 | 0 | 112.1 | I40 F61 A63 F77 C113 L114 S115 K119 W120 I121 F149 F175 L176 | I40-F117 HydrophobicContact CD1-CZ 4.02Å; F61-F117 HydrophobicContact CD1-CD2 4.29Å; F61-F117 HydrophobicContact CD1-CG 4.47Å; F61-F117 HydrophobicContact CE1-CB 4.2Å; F61-F117 AromaticContact CE1-CD1 3.86Å; F61-F117 HydrophobicContact CE1-CD1 3.86Å; F61-F117 AromaticContact CE1-CD2 3.64Å; F61-F117 HydrophobicContact CE1-CD2 3.64Å; F61-F117 HydrophobicContact CE1-CE1 4.1Å; F61-F117 AromaticContact CE1-CE2 3.9Å; F61-F117 HydrophobicContact CE1-CE2 3.9Å; F61-F117 AromaticContact CE1-CG 3.61Å; F61-F117 HydrophobicContact CE1-CG 3.61Å; F61-F117 HydrophobicContact CE1-CZ 4.12Å; F61-F117 HydrophobicContact CZ-CB 4.5Å; F61-F117 AromaticContact CZ-CD1 3.92Å; F61-F117 HydrophobicContact CZ-CD1 3.92Å; F61-F117 HydrophobicContact CZ-CD2 4.49Å; F61-F117 HydrophobicContact CZ-CE1 4.25Å; F61-F117 HydrophobicContact CZ-CG 4.05Å; A63-F117 HydrophobicContact CB-CE2 3.61Å; A63-F117 HydrophobicContact CB-CZ 4.22Å; F77-F117 AromaticContact CD1-CD2 3.79Å; F77-F117 HydrophobicContact CD1-CD2 3.79Å; F77-F117 HydrophobicContact CD1-CE2 4.42Å; F77-F117 HydrophobicContact CD2-CD2 4.37Å; F77-F117 HydrophobicContact CE1-CB 4.25Å; F77-F117 AromaticContact CE1-CD2 3.97Å; F77-F117 HydrophobicContact CE1-CD2 3.97Å; F77-F117 HydrophobicContact CE2-CB 4.42Å; F77-F117 HydrophobicContact CG-CD2 4.01Å; F77-F117 HydrophobicContact CZ-CB 4.02Å; F77-F117 HydrophobicContact CZ-CD2 4.35Å; C113-F117 WeakPolarHBondContact O-CB 3.37Å; C113-F117 PolarHBondContact O-N 3.18Å; L114-F117 PolarHBondContact O-N 3.38Å; S115-F117 VanDerWaalsContact C-N 3.34Å; S115-F117 PolarHBondContact O-N 2.75Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.88Å; F117-W120 AromaticContact CD2-CE3 3.95Å; F117-W120 HydrophobicContact CD2-CE3 3.95Å; F117-W120 HydrophobicContact CD2-CZ3 4.39Å; F117-W120 AromaticContact CE2-CE3 3.54Å; F117-W120 HydrophobicContact CE2-CE3 3.54Å; F117-W120 AromaticContact CE2-CZ3 3.55Å; F117-W120 HydrophobicContact CE2-CZ3 3.55Å; F117-W120 HydrophobicContact CZ-CE3 4.32Å; F117-W120 HydrophobicContact CZ-CZ3 4.12Å; F117-W120 WeakPolarHBondContact O-CB 3.02Å; F117-W120 PolarHBondContact O-N 3.11Å; F117-W120 VanDerWaalsContact O-N 3.16Å; F117-I121 HydrophobicContact CD1-CG1 4.13Å; F117-I121 HydrophobicContact CE1-CD1 4.06Å; F117-I121 HydrophobicContact CE1-CG1 3.81Å; F117-I121 HydrophobicContact CE2-CD1 4.28Å; F117-I121 HydrophobicContact CE2-CG1 4.31Å; F117-I121 HydrophobicContact CZ-CD1 3.76Å; F117-I121 HydrophobicContact CZ-CG1 3.92Å; F117-I121 WeakPolarHBondContact O-CG1 3.33Å; F117-I121 PolarHBondContact O-N 3.25Å; F117-F149 HydrophobicContact CE1-CE1 4.37Å; F117-F149 HydrophobicContact CZ-CE1 4.11Å; F117-F175 HydrophobicContact CD1-CE2 4.4Å; F117-F175 HydrophobicContact CE1-CE2 4.05Å; F117-L176 HydrophobicContact CE1-CD1 4.22Å; F117-L176 HydrophobicContact CE1-CD2 4.09Å |
| 118 | C | 97.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 61.6 Ų | 61.6 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 173.2 | -71.3 | 0 | 0 | 0 | 0 | 112.3 | L114 S115 I121 H122 | L114-C118 WeakPolarHBondContact O-CB 3.12Å; L114-C118 PolarHBondContact O-N 3.36Å; L114-C118 PolarHBondContact O-SG 3.49Å; S115-C118 PolarHBondContact O-N 3.32Å; C118-I121 PolarHBondContact O-N 2.86Å; C118-H122 PolarHBondContact O-CD2 2.97Å; C118-H122 VanDerWaalsContact O-CD2 3.31Å; C118-H122 PolarHBondContact O-N 2.81Å |
| 119 | K | 97.7 | Very high | 96.1 | Very high | 147 Ų | 147 | 63.7 Ų | 63.7 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 174.8 | -69.6 | 173.6 | -177.9 | -176.5 | 0 | 112.2 | S115 Q116 F117 H122 K123 | S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 2.92Å; Q116-K119 WeakPolarHBondContact O-CB 3.48Å; Q116-K119 PolarHBondContact O-N 3.29Å; F117-K119 VanDerWaalsContact C-N 3.3Å; F117-K119 PolarHBondContact O-N 2.88Å; K119-H122 PolarHBondContact O-N 3.37Å; K119-K123 WeakPolarHBondContact O-CB 3.22Å; K119-K123 PolarHBondContact O-N 2.98Å |
| 120 | W | 98.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 61.8 Ų | 61.8 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 174.2 | 179.3 | 90.1 | 0 | 0 | 0 | 112.1 | I38 A63 S75 E76 F77 Q116 F117 K123 I124 | I38-W120 HydrophobicContact CD1-CH2 4.45Å; I38-W120 HydrophobicContact CD1-CZ3 4.07Å; I38-W120 HydrophobicContact CG2-CH2 4.08Å; I38-W120 HydrophobicContact CG2-CZ3 3.99Å; A63-W120 HydrophobicContact CB-CH2 3.8Å; A63-W120 HydrophobicContact CB-CZ3 3.92Å; S75-W120 PolarHBondContact OG-NE1 2.9Å; E76-W120 PolarHBondContact O-NE1 3.26Å; F77-W120 HydrophobicContact CB-CD2 3.76Å; F77-W120 HydrophobicContact CB-CE3 4.24Å; F77-W120 HydrophobicContact CB-CG 4.06Å; F77-W120 HydrophobicContact CB-CH2 4.4Å; F77-W120 HydrophobicContact CB-CZ2 3.92Å; F77-W120 HydrophobicContact CD2-CB 3.88Å; F77-W120 HydrophobicContact CD2-CD2 4.35Å; F77-W120 AromaticContact CD2-CG 3.87Å; F77-W120 HydrophobicContact CD2-CG 3.87Å; F77-W120 HydrophobicContact CE2-CB 4.42Å; F77-W120 HydrophobicContact CG-CD2 4.37Å; F77-W120 HydrophobicContact CG-CG 4.35Å; Q116-W120 PolarHBondContact O-N 2.7Å; F117-W120 AromaticContact CD2-CE3 3.95Å; F117-W120 HydrophobicContact CD2-CE3 3.95Å; F117-W120 HydrophobicContact CD2-CZ3 4.39Å; F117-W120 AromaticContact CE2-CE3 3.54Å; F117-W120 HydrophobicContact CE2-CE3 3.54Å; F117-W120 AromaticContact CE2-CZ3 3.55Å; F117-W120 HydrophobicContact CE2-CZ3 3.55Å; F117-W120 HydrophobicContact CZ-CE3 4.32Å; F117-W120 HydrophobicContact CZ-CZ3 4.12Å; F117-W120 WeakPolarHBondContact O-CB 3.02Å; F117-W120 PolarHBondContact O-N 3.11Å; F117-W120 VanDerWaalsContact O-N 3.16Å; W120-K123 PolarHBondContact O-N 2.9Å; W120-I124 HydrophobicContact CD2-CD1 3.58Å; W120-I124 HydrophobicContact CE3-CD1 3.78Å; W120-I124 HydrophobicContact CG-CD1 4.38Å; W120-I124 HydrophobicContact CH2-CD1 3.55Å; W120-I124 HydrophobicContact CZ2-CD1 3.33Å; W120-I124 HydrophobicContact CZ3-CD1 3.77Å; W120-I124 PolarHBondContact O-N 2.85Å |
| 121 | I | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -51.1 | 173.8 | -69.8 | -66.5 | 0 | 0 | 0 | 111.1 | I38 F117 C118 K123 I124 Q125 F132 F149 F175 | I38-I121 HydrophobicContact CD1-CD1 3.52Å; F117-I121 HydrophobicContact CD1-CG1 4.13Å; F117-I121 HydrophobicContact CE1-CD1 4.06Å; F117-I121 HydrophobicContact CE1-CG1 3.81Å; F117-I121 HydrophobicContact CE2-CD1 4.28Å; F117-I121 HydrophobicContact CE2-CG1 4.31Å; F117-I121 HydrophobicContact CZ-CD1 3.76Å; F117-I121 HydrophobicContact CZ-CG1 3.92Å; F117-I121 WeakPolarHBondContact O-CG1 3.33Å; F117-I121 PolarHBondContact O-N 3.25Å; C118-I121 PolarHBondContact O-N 2.86Å; I121-K123 VanDerWaalsContact C-N 3.33Å; I121-K123 PolarHBondContact O-N 2.95Å; I121-I124 PolarHBondContact O-N 3.47Å; I121-I124 VanDerWaalsContact O-N 3.13Å; I121-Q125 HydrophobicContact CG2-CG 4.41Å; I121-Q125 WeakPolarHBondContact O-CG 3.35Å; I121-Q125 PolarHBondContact O-N 3.04Å; I121-F132 HydrophobicContact CD1-CZ 4Å; I121-F132 HydrophobicContact CG2-CE2 3.5Å; I121-F132 HydrophobicContact CG2-CZ 3.78Å; I121-F149 HydrophobicContact CD1-CE1 4Å; I121-F149 HydrophobicContact CD1-CZ 3.92Å; I121-F175 HydrophobicContact CB-CZ 4.46Å; I121-F175 HydrophobicContact CG1-CE2 4.12Å; I121-F175 HydrophobicContact CG1-CZ 4.21Å; I121-F175 HydrophobicContact CG2-CE1 4.49Å; I121-F175 HydrophobicContact CG2-CZ 4.28Å |
| 122 | H | 94.9 | Very high | 94.7 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 51% | 0.514 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 178.8 | -72.4 | -168.1 | 0 | 0 | 0 | 111.8 | C118 K119 I124 Q125 Q126 | C118-H122 PolarHBondContact O-CD2 2.97Å; C118-H122 VanDerWaalsContact O-CD2 3.31Å; C118-H122 PolarHBondContact O-N 2.81Å; K119-H122 PolarHBondContact O-N 3.37Å; H122-I124 VanDerWaalsContact C-N 3.34Å; H122-I124 PolarHBondContact O-N 3.44Å; H122-Q125 PolarHBondContact O-N 2.91Å; H122-Q126 WeakPolarHBondContact O-CG 3.16Å; H122-Q126 PolarHBondContact O-N 2.89Å; H122-Q126 VanDerWaalsContact O-N 3.11Å |
| 123 | K | 96.1 | Very high | 93.1 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 54% | 0.543 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.9 | -46.2 | 175 | -179.4 | -178.8 | 177.1 | -178.7 | 0 | 111.7 | K119 W120 I121 Q127 | K119-K123 WeakPolarHBondContact O-CB 3.22Å; K119-K123 PolarHBondContact O-N 2.98Å; W120-K123 PolarHBondContact O-N 2.9Å; I121-K123 VanDerWaalsContact C-N 3.33Å; I121-K123 PolarHBondContact O-N 2.95Å; K123-Q127 HydrophobicContact CG-CG 4.46Å; K123-Q127 WeakPolarHBondContact O-CB 3.2Å; K123-Q127 VanDerWaalsContact O-CG 3.26Å; K123-Q127 WeakPolarHBondContact O-CG 3.2Å; K123-Q127 PolarHBondContact O-N 3.26Å |
| 124 | I | 95 | Very high | 91.2 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 177.7 | -77.3 | 168.6 | 0 | 0 | 0 | 111.8 | L65 W120 I121 H122 Q126 Q127 K128 I130 | L65-I124 HydrophobicContact CB-CD1 4.39Å; L65-I124 HydrophobicContact CD1-CG2 4.13Å; L65-I124 HydrophobicContact CD2-CD1 4.09Å; L65-I124 HydrophobicContact CD2-CG1 4.2Å; L65-I124 HydrophobicContact CD2-CG2 3.84Å; W120-I124 HydrophobicContact CD2-CD1 3.58Å; W120-I124 HydrophobicContact CE3-CD1 3.78Å; W120-I124 HydrophobicContact CG-CD1 4.38Å; W120-I124 HydrophobicContact CH2-CD1 3.55Å; W120-I124 HydrophobicContact CZ2-CD1 3.33Å; W120-I124 HydrophobicContact CZ3-CD1 3.77Å; W120-I124 PolarHBondContact O-N 2.85Å; I121-I124 PolarHBondContact O-N 3.47Å; I121-I124 VanDerWaalsContact O-N 3.13Å; H122-I124 VanDerWaalsContact C-N 3.34Å; H122-I124 PolarHBondContact O-N 3.44Å; I124-Q126 PolarHBondContact O-N 2.89Å; I124-Q127 PolarHBondContact O-N 2.99Å; I124-K128 HydrophobicContact CG2-CG 4.43Å; I124-K128 VanDerWaalsContact O-CB 3.31Å; I124-K128 WeakPolarHBondContact O-CB 3.38Å; I124-K128 WeakPolarHBondContact O-CG 3.44Å; I124-K128 PolarHBondContact O-N 3.36Å; I124-I130 HydrophobicContact CG2-CD1 3.81Å |
| 125 | Q | 93.2 | Very high | 88.9 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 24% | 0.238 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 178.9 | -71.1 | -172.6 | -95.3 | 0 | 0 | 112 | I121 H122 N129 I130 F132 | I121-Q125 HydrophobicContact CG2-CG 4.41Å; I121-Q125 WeakPolarHBondContact O-CG 3.35Å; I121-Q125 PolarHBondContact O-N 3.04Å; H122-Q125 PolarHBondContact O-N 2.91Å; Q125-N129 VanDerWaalsContact O-CA 3.3Å; Q125-N129 WeakPolarHBondContact O-CA 3.48Å; Q125-N129 PolarHBondContact O-N 3.42Å; Q125-I130 HydrophobicContact CG-CB 4.44Å; Q125-I130 HydrophobicContact CG-CG2 4.44Å; Q125-I130 WeakPolarHBondContact CG-O 3.28Å; Q125-I130 PolarHBondContact NE2-O 3.2Å; Q125-I130 PolarHBondContact O-N 3.03Å; Q125-F132 HydrophobicContact CG-CE2 3.83Å; Q125-F132 HydrophobicContact CG-CZ 4.43Å |
| 126 | Q | 90.9 | Very high | 86.3 | Confident | 168 Ų | 168 | 67.2 Ų | 67.2 | 79% | 0.785 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.1 | -44.3 | 176.9 | -60.3 | -60.8 | -17.5 | 0 | 0 | 112 | H122 I124 K128 | H122-Q126 WeakPolarHBondContact O-CG 3.16Å; H122-Q126 PolarHBondContact O-N 2.89Å; H122-Q126 VanDerWaalsContact O-N 3.11Å; I124-Q126 PolarHBondContact O-N 2.89Å; Q126-K128 VanDerWaalsContact C-N 3.29Å; Q126-K128 PolarHBondContact O-N 3.13Å |
| 127 | Q | 93.6 | Very high | 83.7 | Confident | 122 Ų | 122 | 69 Ų | 69 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -71.7 | -17.3 | -177.2 | -73.2 | -175.1 | -29.4 | 0 | 0 | 114.8 | K123 I124 | K123-Q127 HydrophobicContact CG-CG 4.46Å; K123-Q127 WeakPolarHBondContact O-CB 3.2Å; K123-Q127 VanDerWaalsContact O-CG 3.26Å; K123-Q127 WeakPolarHBondContact O-CG 3.2Å; K123-Q127 PolarHBondContact O-N 3.26Å; I124-Q127 PolarHBondContact O-N 2.99Å |
| 128 | K | 90.4 | Very high | 81.4 | Confident | 58 Ų | 58 | 77.3 Ų | 77.3 | 25% | 0.252 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -127.1 | -4.2 | -171.8 | -56 | -67.2 | 177.5 | 168.9 | 0 | 114.5 | Y36 L65 E74 I124 Q126 I130 | Y36-K128 HydrophobicContact CE2-CB 4.22Å; L65-K128 HydrophobicContact CD2-CG 4.49Å; E74-K128 WeakPolarHBondContact OE2-CE 3.4Å; E74-K128 IonicContact OE2-NZ 3.89Å; E74-K128 PolarHBondContact OE2-NZ 3.25Å; I124-K128 HydrophobicContact CG2-CG 4.43Å; I124-K128 VanDerWaalsContact O-CB 3.31Å; I124-K128 WeakPolarHBondContact O-CB 3.38Å; I124-K128 WeakPolarHBondContact O-CG 3.44Å; I124-K128 PolarHBondContact O-N 3.36Å; Q126-K128 VanDerWaalsContact C-N 3.29Å; Q126-K128 PolarHBondContact O-N 3.13Å; K128-I130 HydrophobicContact CB-CD1 3.49Å; K128-I130 VanDerWaalsContact CB-CD1 3.49Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 HydrophobicContact CG-CD1 4.14Å |
| 129 | N | 90.4 | Very high | 79.2 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 56.1 | -169.6 | -162.7 | 31.2 | 0 | 0 | 0 | 113.2 | Q125 E143 K145 | Q125-N129 VanDerWaalsContact O-CA 3.3Å; Q125-N129 WeakPolarHBondContact O-CA 3.48Å; Q125-N129 PolarHBondContact O-N 3.42Å; N129-E143 PolarHBondContact ND2-O 3.37Å; N129-K145 PolarHBondContact O-N 2.76Å |
| 130 | I | 90.3 | Very high | 77.1 | Confident | 4 Ų | 4 | 77.6 Ų | 77.6 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 131.8 | -172.9 | -73.4 | 170.8 | 0 | 0 | 0 | 112.9 | Y36 L65 I124 Q125 K128 F132 K145 C147 | Y36-I130 HydrophobicContact CD1-CD1 4.39Å; Y36-I130 HydrophobicContact CD2-CD1 3.35Å; Y36-I130 HydrophobicContact CD2-CG1 3.7Å; Y36-I130 HydrophobicContact CE2-CD1 3.86Å; Y36-I130 HydrophobicContact CE2-CG1 4.11Å; Y36-I130 HydrophobicContact CG-CD1 3.65Å; Y36-I130 HydrophobicContact CG-CG1 4.44Å; L65-I130 HydrophobicContact CD1-CD1 4.38Å; I124-I130 HydrophobicContact CG2-CD1 3.81Å; Q125-I130 HydrophobicContact CG-CB 4.44Å; Q125-I130 HydrophobicContact CG-CG2 4.44Å; Q125-I130 WeakPolarHBondContact CG-O 3.28Å; Q125-I130 PolarHBondContact NE2-O 3.2Å; Q125-I130 PolarHBondContact O-N 3.03Å; K128-I130 HydrophobicContact CB-CD1 3.49Å; K128-I130 VanDerWaalsContact CB-CD1 3.49Å; K128-I130 HydrophobicContact CB-CG1 3.71Å; K128-I130 HydrophobicContact CG-CD1 4.14Å; I130-F132 HydrophobicContact CG2-CE1 4.47Å; I130-F132 HydrophobicContact CG2-CZ 4.39Å; I130-K145 WeakPolarHBondContact CA-O 3.49Å; I130-K145 HydrophobicContact CG1-CB 4.35Å; I130-C147 HydrophobicContact CG2-CB 3.29Å |
| 131 | I | 88.4 | Confident | 75 | Confident | 89 Ų | 89 | 80.3 Ų | 80.3 | 46% | 0.456 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 137.4 | 165.1 | -65 | -171.4 | 0 | 0 | 0 | 110.6 | V144 K145 C147 | I131-V144 HydrophobicContact CB-CG1 3.86Å; I131-V144 HydrophobicContact CD1-CG1 3.74Å; I131-V144 HydrophobicContact CD1-CG2 4.47Å; I131-V144 HydrophobicContact CG1-CG1 3.73Å; I131-K145 PolarHBondContact N-O 3.03Å; I131-C147 PolarHBondContact O-N 2.77Å |
| 132 | F | 85.1 | Confident | 73.3 | Confident | 18 Ų | 18 | 86.5 Ų | 86.5 | 8% | 0.079 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.7 | 173.7 | -63.3 | -72.9 | 0 | 0 | 0 | 111.2 | I38 I121 Q125 I130 T134 C147 F149 F175 | I38-F132 HydrophobicContact CD1-CE1 3.87Å; I38-F132 HydrophobicContact CD1-CZ 3.96Å; I121-F132 HydrophobicContact CD1-CZ 4Å; I121-F132 HydrophobicContact CG2-CE2 3.5Å; I121-F132 HydrophobicContact CG2-CZ 3.78Å; Q125-F132 HydrophobicContact CG-CE2 3.83Å; Q125-F132 HydrophobicContact CG-CZ 4.43Å; I130-F132 HydrophobicContact CG2-CE1 4.47Å; I130-F132 HydrophobicContact CG2-CZ 4.39Å; F132-T134 VanDerWaalsContact C-N 3.26Å; F132-T134 PolarHBondContact O-N 3.49Å; F132-T134 PolarHBondContact O-OG1 2.98Å; F132-C147 HydrophobicContact CD1-CB 4.03Å; F132-C147 HydrophobicContact CE1-CB 3.96Å; F132-F149 HydrophobicContact CD1-CD2 4.25Å; F132-F149 AromaticContact CD1-CE2 3.52Å; F132-F149 HydrophobicContact CD1-CE2 3.52Å; F132-F149 AromaticContact CD1-CZ 3.97Å; F132-F149 HydrophobicContact CD1-CZ 3.97Å; F132-F149 HydrophobicContact CE1-CD2 4.47Å; F132-F149 HydrophobicContact CE1-CE1 4.36Å; F132-F149 AromaticContact CE1-CE2 3.59Å; F132-F149 HydrophobicContact CE1-CE2 3.59Å; F132-F149 AromaticContact CE1-CZ 3.52Å; F132-F149 HydrophobicContact CE1-CZ 3.52Å; F132-F149 HydrophobicContact CG-CE2 4.14Å; F132-F149 HydrophobicContact CZ-CE2 4.27Å; F132-F149 AromaticContact CZ-CZ 3.9Å; F132-F149 HydrophobicContact CZ-CZ 3.9Å; F132-F175 HydrophobicContact CD2-CB 4.33Å; F132-F175 HydrophobicContact CG-CB 4.42Å |
| 133 | A | 66.1 | Low | 72.2 | Confident | 35 Ų | 35 | 88.8 Ų | 88.8 | 29% | 0.289 | 51% | 0.506 | S | S | . | . | trans | -71.5 | 72.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F34 G135 C147 | F34-A133 HydrophobicContact CE1-CB 3.79Å; A133-G135 PolarHBondContact O-N 3.25Å; A133-C147 PolarHBondContact N-O 2.75Å | ||
| 134 | T | 58.1 | Low | 71.5 | Confident | 64 Ų | 64 | 84.4 Ų | 84.4 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | trans | -82.9 | 51.7 | -177.2 | -46.8 | 0 | 0 | 0 | 0 | 111.7 | F132 V136 | F132-T134 VanDerWaalsContact C-N 3.26Å; F132-T134 PolarHBondContact O-N 3.49Å; F132-T134 PolarHBondContact O-OG1 2.98Å; T134-V136 VanDerWaalsContact C-N 3.3Å; T134-V136 PolarHBondContact O-N 3.04Å; T134-V136 VanDerWaalsContact O-N 3.14Å | ||
| 135 | G | 49.1 | Very low | 71.1 | Confident | 70 Ų | 70 | 88.2 Ų | 88.2 | 72% | 0.722 | 51% | 0.507 | S | S | * | . | S | Bend | trans | 72.9 | 1.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | A133 | A133-G135 PolarHBondContact O-N 3.25Š|
| 136 | V | 44 | Very low | 71.1 | Confident | 133 Ų | 133 | 87.2 Ų | 87.2 | 81% | 0.806 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 163.2 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | T134 | T134-V136 VanDerWaalsContact C-N 3.3Å; T134-V136 PolarHBondContact O-N 3.04Å; T134-V136 VanDerWaalsContact O-N 3.14Å |
| 137 | S | 45.3 | Very low | 71.3 | Confident | 113 Ų | 113 | 79.2 Ų | 79.2 | 79% | 0.79 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 164.3 | -170.8 | -51.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 138 | E | 49.8 | Very low | 71.5 | Confident | 173 Ų | 173 | 73.5 Ų | 73.5 | 81% | 0.808 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -56.7 | 139.4 | 179.1 | -61.2 | -167.9 | 155.4 | 0 | 0 | 112.5 | S140 | E138-S140 PolarHBondContact O-N 3.11Š|
| 139 | P | 51.2 | Low | 71.8 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -67 | 126.1 | 174 | 28.3 | -33.4 | 0 | 0 | 0 | 110 | T141 V144 L146 | P139-T141 PolarHBondContact O-N 3.48Å; P139-V144 HydrophobicContact CB-CB 4.42Å; P139-L146 HydrophobicContact CG-CD2 4.38Å |
| 140 | S | 51.8 | Low | 72.2 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 87% | 0.874 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -76.8 | 2.9 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 114.4 | E138 | E138-S140 PolarHBondContact O-N 3.11Š|
| 141 | T | 55.7 | Low | 72.6 | Confident | 85 Ų | 85 | 67 Ų | 67 | 52% | 0.521 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -122.3 | 133.8 | -176.8 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | P139 E143 | P139-T141 PolarHBondContact O-N 3.48Å; T141-E143 PolarHBondContact O-N 2.83Å; T141-E143 VanDerWaalsContact O-N 3.08Å |
| 142 | S | 60.6 | Low | 73 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 92% | 0.916 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 9.9 | -166.2 | -169.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 143 | E | 70.3 | Confident | 73.5 | Confident | 159 Ų | 159 | 62.2 Ų | 62.2 | 74% | 0.743 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.9 | -14.8 | -171 | -60.3 | -169.2 | 146.7 | 0 | 0 | 114.4 | N129 T141 | N129-E143 PolarHBondContact ND2-O 3.37Å; T141-E143 PolarHBondContact O-N 2.83Å; T141-E143 VanDerWaalsContact O-N 3.08Å |
| 144 | V | 81.3 | Confident | 74.8 | Confident | 33 Ų | 33 | 62.9 Ų | 62.9 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 127 | 179.2 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | I131 P139 | I131-V144 HydrophobicContact CB-CG1 3.86Å; I131-V144 HydrophobicContact CD1-CG1 3.74Å; I131-V144 HydrophobicContact CD1-CG2 4.47Å; I131-V144 HydrophobicContact CG1-CG1 3.73Å; P139-V144 HydrophobicContact CB-CB 4.42Å |
| 145 | K | 88.5 | Confident | 76.6 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 36% | 0.357 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 133.9 | 176.8 | -66.7 | 179 | -165.5 | 156.2 | 0 | 110.6 | D35 Y36 N129 I130 I131 | D35-K145 HydrophobicContact CB-CB 3.96Å; D35-K145 HydrophobicContact CB-CD 4.39Å; D35-K145 HydrophobicContact CB-CG 4.23Å; D35-K145 VanDerWaalsContact OD2-CA 3.27Å; D35-K145 WeakPolarHBondContact OD2-CA 3.26Å; D35-K145 WeakPolarHBondContact OD2-CB 3.44Å; Y36-K145 HydrophobicContact CD2-CB 4.39Å; Y36-K145 HydrophobicContact CE2-CB 4.36Å; Y36-K145 HydrophobicContact CE2-CD 3.81Å; N129-K145 PolarHBondContact O-N 2.76Å; I130-K145 WeakPolarHBondContact CA-O 3.49Å; I130-K145 HydrophobicContact CG1-CB 4.35Å; I131-K145 PolarHBondContact N-O 3.03Å |
| 146 | L | 92.9 | Very high | 78.9 | Confident | 29 Ų | 29 | 58 Ų | 58 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137 | -176.9 | -68.1 | -179.6 | 0 | 0 | 0 | 111 | L33 F34 D35 Y36 P139 | L33-L146 HydrophobicContact CD1-CD1 3.96Å; L33-L146 HydrophobicContact CG-CD1 4.4Å; L33-L146 WeakPolarHBondContact O-CB 3.16Å; L33-L146 WeakPolarHBondContact O-CD1 3.4Å; F34-L146 CarbonylContact C-O 3.47Å; F34-L146 VanDerWaalsContact CA-O 3.28Å; F34-L146 WeakPolarHBondContact CA-O 3.18Å; F34-L146 HydrophobicContact CD1-CB 3.98Å; D35-L146 PolarHBondContact N-O 2.9Å; D35-L146 PolarHBondContact OD2-N 3.46Å; Y36-L146 PolarHBondContact N-O 3.04Å; P139-L146 HydrophobicContact CG-CD2 4.38Å |
| 147 | C | 95 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 148.4 | 175.7 | -170.3 | 0 | 0 | 0 | 0 | 112.4 | Y36 I130 I131 F132 A133 | Y36-C147 WeakPolarHBondContact O-CA 3.33Å; Y36-C147 PolarHBondContact O-SG 2.66Å; I130-C147 HydrophobicContact CG2-CB 3.29Å; I131-C147 PolarHBondContact O-N 2.77Å; F132-C147 HydrophobicContact CD1-CB 4.03Å; F132-C147 HydrophobicContact CE1-CB 3.96Å; A133-C147 PolarHBondContact N-O 2.75Å |
| 148 | A | 96.8 | Very high | 83.7 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 148.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F34 Y36 L37 I38 I180 I238 | F34-A148 HydrophobicContact CD1-CB 3.85Å; F34-A148 HydrophobicContact CD2-CB 4.01Å; F34-A148 HydrophobicContact CE1-CB 3.86Å; F34-A148 HydrophobicContact CE2-CB 4Å; F34-A148 HydrophobicContact CG-CB 3.94Å; F34-A148 HydrophobicContact CZ-CB 3.94Å; Y36-A148 PolarHBondContact O-N 2.84Å; L37-A148 WeakPolarHBondContact CA-O 3.41Å; L37-A148 HydrophobicContact CD2-CB 4.02Å; I38-A148 PolarHBondContact N-O 2.76Å; A148-I180 HydrophobicContact CB-CD1 4.04Å; A148-I180 HydrophobicContact CB-CG1 4.27Å; A148-I238 HydrophobicContact CB-CD1 3.61Å |
| 149 | F | 97.9 | Very high | 85.8 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 145.4 | 167.4 | -66.6 | -79.8 | 0 | 0 | 0 | 110.6 | I38 I40 F117 I121 F132 L157 F175 L176 W179 I180 | I38-F149 HydrophobicContact CB-CD1 3.81Å; I38-F149 HydrophobicContact CB-CE1 3.88Å; I38-F149 HydrophobicContact CD1-CE1 4.07Å; I38-F149 HydrophobicContact CD1-CZ 4.43Å; I38-F149 HydrophobicContact CG2-CD1 3.81Å; I38-F149 HydrophobicContact CG2-CE1 3.73Å; I38-F149 CarbonylContact O-C 3.51Å; I38-F149 WeakPolarHBondContact O-CA 3.41Å; I40-F149 HydrophobicContact CD1-CD1 3.84Å; I40-F149 HydrophobicContact CD1-CE1 4.3Å; F117-F149 HydrophobicContact CE1-CE1 4.37Å; F117-F149 HydrophobicContact CZ-CE1 4.11Å; I121-F149 HydrophobicContact CD1-CE1 4Å; I121-F149 HydrophobicContact CD1-CZ 3.92Å; F132-F149 HydrophobicContact CD1-CD2 4.25Å; F132-F149 AromaticContact CD1-CE2 3.52Å; F132-F149 HydrophobicContact CD1-CE2 3.52Å; F132-F149 AromaticContact CD1-CZ 3.97Å; F132-F149 HydrophobicContact CD1-CZ 3.97Å; F132-F149 HydrophobicContact CE1-CD2 4.47Å; F132-F149 HydrophobicContact CE1-CE1 4.36Å; F132-F149 AromaticContact CE1-CE2 3.59Å; F132-F149 HydrophobicContact CE1-CE2 3.59Å; F132-F149 AromaticContact CE1-CZ 3.52Å; F132-F149 HydrophobicContact CE1-CZ 3.52Å; F132-F149 HydrophobicContact CG-CE2 4.14Å; F132-F149 HydrophobicContact CZ-CE2 4.27Å; F132-F149 AromaticContact CZ-CZ 3.9Å; F132-F149 HydrophobicContact CZ-CZ 3.9Å; F149-L157 HydrophobicContact CB-CD1 4.17Å; F149-F175 WeakPolarHBondContact CD2-O 3.43Å; F149-F175 HydrophobicContact CE2-CB 4.11Å; F149-F175 AromaticContact CE2-CD2 3.65Å; F149-F175 HydrophobicContact CE2-CD2 3.65Å; F149-F175 HydrophobicContact CE2-CG 4.32Å; F149-F175 WeakPolarHBondContact CE2-O 3.13Å; F149-F175 AromaticContact CZ-CD2 3.54Å; F149-F175 HydrophobicContact CZ-CD2 3.54Å; F149-F175 HydrophobicContact CZ-CE2 4.04Å; F149-F175 HydrophobicContact CZ-CG 4.49Å; F149-L176 HydrophobicContact CD1-CD2 3.73Å; F149-L176 HydrophobicContact CD2-CD2 4.14Å; F149-L176 HydrophobicContact CE1-CD2 3.68Å; F149-L176 HydrophobicContact CE2-CD2 4.11Å; F149-L176 HydrophobicContact CG-CD2 3.97Å; F149-L176 HydrophobicContact CZ-CD2 3.89Å; F149-W179 HydrophobicContact CB-CB 3.97Å; F149-W179 CarbonylContact O-C 3.49Å; F149-W179 VanDerWaalsContact O-CA 3.25Å; F149-W179 WeakPolarHBondContact O-CA 3.36Å; F149-W179 WeakPolarHBondContact O-CB 3.44Å; F149-I180 PolarHBondContact O-N 3.08Å |
| 150 | V | 98.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 137.2 | 179.8 | -174 | 0 | 0 | 0 | 0 | 108.5 | L37 I38 V39 I40 I180 L182 | L37-V150 HydrophobicContact CB-CG2 3.83Å; L37-V150 HydrophobicContact CD1-CG2 4.22Å; L37-V150 HydrophobicContact CD2-CG2 3.78Å; L37-V150 HydrophobicContact CG-CG2 4.14Å; I38-V150 PolarHBondContact O-N 3.46Å; V39-V150 CarbonylContact C-O 3.5Å; V39-V150 WeakPolarHBondContact CA-O 3.38Å; V39-V150 HydrophobicContact CG1-CB 4.44Å; V39-V150 HydrophobicContact CG2-CB 4.15Å; I40-V150 PolarHBondContact N-O 2.72Å; V150-I180 WeakPolarHBondContact CA-O 3.39Å; V150-I180 HydrophobicContact CG1-CB 4.39Å; V150-I180 HydrophobicContact CG2-CB 4.18Å; V150-I180 HydrophobicContact CG2-CD1 4.3Å; V150-I180 HydrophobicContact CG2-CG1 4.41Å; V150-L182 HydrophobicContact CG1-CB 3.9Å; V150-L182 HydrophobicContact CG1-CD1 4.43Å |
| 151 | T | 98.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 159.5 | 172.7 | 61.9 | 0 | 0 | 0 | 0 | 109.3 | I40 S153 D156 L157 W179 I180 L182 | I40-T151 WeakPolarHBondContact O-CA 3.44Å; T151-S153 WeakPolarHBondContact CB-O 3.29Å; T151-S153 PolarHBondContact O-N 3.31Å; T151-S153 PolarHBondContact OG1-O 3.15Å; T151-D156 HydrophobicContact CG2-CB 3.96Å; T151-L157 HydrophobicContact CG2-CD1 3.79Å; T151-L157 HydrophobicContact CG2-CG 3.82Å; T151-W179 VanDerWaalsContact OG1-CD1 3.3Å; T151-I180 PolarHBondContact N-O 3.25Å; T151-L182 WeakPolarHBondContact O-CB 3.27Å; T151-L182 PolarHBondContact O-N 2.75Å |
| 152 | W | 97.4 | Very high | 92 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -67.6 | -25.3 | 170.4 | 179.1 | -122.9 | 0 | 0 | 0 | 112.1 | D41 L182 R183 P194 G196 L197 A200 L225 | D41-W152 WeakPolarHBondContact OD2-CB 3.25Å; W152-L182 HydrophobicContact CE3-CB 4.43Å; W152-R183 HydrophobicContact CD2-CB 3.95Å; W152-R183 HydrophobicContact CD2-CG 4.43Å; W152-R183 HydrophobicContact CE3-CB 3.84Å; W152-R183 HydrophobicContact CH2-CB 3.7Å; W152-R183 HydrophobicContact CH2-CG 3.54Å; W152-R183 HydrophobicContact CZ2-CB 3.78Å; W152-R183 VanDerWaalsContact CZ2-CD 3.45Å; W152-R183 HydrophobicContact CZ2-CG 3.39Å; W152-R183 HydrophobicContact CZ3-CB 3.73Å; W152-R183 HydrophobicContact CZ3-CG 4.12Å; W152-R183 WeakPolarHBondContact O-CB 3.09Å; W152-P194 HydrophobicContact CH2-CB 4.24Å; W152-P194 HydrophobicContact CH2-CG 3.81Å; W152-P194 HydrophobicContact CZ2-CB 4.46Å; W152-P194 HydrophobicContact CZ2-CG 4.08Å; W152-G196 WeakPolarHBondContact CZ2-O 3.29Å; W152-L197 HydrophobicContact CD2-CB 4.16Å; W152-L197 HydrophobicContact CD2-CD1 4.07Å; W152-L197 HydrophobicContact CE3-CD1 3.72Å; W152-L197 HydrophobicContact CG-CB 4.44Å; W152-L197 HydrophobicContact CZ2-CB 4.49Å; W152-L197 HydrophobicContact CZ3-CD1 3.96Å; W152-A200 HydrophobicContact CH2-CB 3.69Å; W152-A200 HydrophobicContact CZ2-CB 4.49Å; W152-A200 HydrophobicContact CZ3-CB 4.33Å; W152-L225 HydrophobicContact CE3-CD2 4.47Å; W152-L225 HydrophobicContact CH2-CD2 4.4Å; W152-L225 HydrophobicContact CZ3-CD2 3.71Å |
| 153 | S | 95.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 6% | 0.056 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -156.5 | 172.9 | 173.4 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | T151 W155 | T151-S153 WeakPolarHBondContact CB-O 3.29Å; T151-S153 PolarHBondContact O-N 3.31Å; T151-S153 PolarHBondContact OG1-O 3.15Å; S153-W155 PolarHBondContact O-N 3.27Å; S153-W155 WeakPolarHBondContact OG-CB 3.31Å; S153-W155 PolarHBondContact OG-N 3.04Å |
| 154 | D | 93.7 | Very high | 95 | Very high | 49 Ų | 49 | 22.9 Ų | 22.9 | 26% | 0.262 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -13.1 | 170.3 | -62.1 | -30 | 0 | 0 | 0 | 115.3 | G158 V159 R240 | D154-G158 CarbonylContact O-C 3.58Å; D154-G158 WeakPolarHBondContact O-CA 3.25Å; D154-G158 PolarHBondContact O-N 2.73Å; D154-G158 VanDerWaalsContact O-N 3.15Å; D154-V159 PolarHBondContact O-N 3.33Å; D154-R240 WeakPolarHBondContact OD1-CD 3.41Å; D154-R240 WeakPolarHBondContact OD1-CG 3.32Å; D154-R240 IonicContact OD1-CZ 3.48Å; D154-R240 IonicContact OD1-NE 3.39Å; D154-R240 PolarHBondContact OD1-NE 3.26Å; D154-R240 IonicContact OD1-NH2 2.72Å; D154-R240 IonicContact OD2-CZ 2.86Å; D154-R240 IonicContact OD2-NE 2.69Å; D154-R240 PolarHBondContact OD2-NE 3.22Å; D154-R240 IonicContact OD2-NH2 2.64Å; D154-R240 PolarHBondContact OD2-NH2 2.84Å |
| 155 | W | 94.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 11% | 0.114 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -70.1 | -40.2 | -170.6 | -176.4 | 84.9 | 0 | 0 | 0 | 112.9 | F42 S44 S153 V159 C160 R685 | F42-W155 HydrophobicContact CB-CZ3 4.49Å; S44-W155 VanDerWaalsContact OG-CH2 3.28Å; S44-W155 WeakPolarHBondContact OG-CH2 3.14Å; S153-W155 PolarHBondContact O-N 3.27Å; S153-W155 WeakPolarHBondContact OG-CB 3.31Å; S153-W155 PolarHBondContact OG-N 3.04Å; W155-V159 HydrophobicContact CG-CB 4.39Å; W155-V159 CarbonylContact O-C 3.52Å; W155-V159 VanDerWaalsContact O-CA 3.31Å; W155-V159 WeakPolarHBondContact O-CA 3.37Å; W155-V159 WeakPolarHBondContact O-CB 3.39Å; W155-V159 PolarHBondContact O-N 2.92Å; W155-C160 HydrophobicContact CD2-CB 4.39Å; W155-C160 HydrophobicContact CE3-CB 4.19Å; W155-C160 HydrophobicContact CH2-CB 3.39Å; W155-C160 WeakPolarHBondContact CH2-SG 3.32Å; W155-C160 HydrophobicContact CZ2-CB 3.67Å; W155-C160 HydrophobicContact CZ3-CB 3.69Å; W155-C160 PolarHBondContact O-N 2.92Å; W155-R685 HydrophobicContact CD2-CB 4.26Å; W155-R685 HydrophobicContact CG-CB 4.42Å |
| 156 | D | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | I | π-helix | trans | -67.7 | -64.7 | -169.5 | -52.5 | -87.7 | 0 | 0 | 0 | 112.2 | F42 T151 C160 L161 | F42-D156 HydrophobicContact CD2-CB 3.79Å; F42-D156 HydrophobicContact CE2-CB 4.13Å; F42-D156 PolarHBondContact N-OD1 2.82Å; F42-D156 VanDerWaalsContact N-OD1 3.15Å; T151-D156 HydrophobicContact CG2-CB 3.96Å; D156-C160 PolarHBondContact O-N 3.18Å; D156-L161 PolarHBondContact O-N 2.97Å |
| 157 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | I | π-helix | trans | -85.7 | -19.1 | -178.8 | -61.2 | 178.5 | 0 | 0 | 0 | 113.7 | F42 F149 T151 L161 K172 L176 W179 | F42-L157 HydrophobicContact CE2-CD2 3.9Å; F42-L157 HydrophobicContact CZ-CD2 3.85Å; F149-L157 HydrophobicContact CB-CD1 4.17Å; T151-L157 HydrophobicContact CG2-CD1 3.79Å; T151-L157 HydrophobicContact CG2-CG 3.82Å; L157-L161 HydrophobicContact CD2-CD2 3.89Å; L157-K172 PolarHBondContact O-NZ 3.25Å; L157-L176 HydrophobicContact CD1-CD2 4.26Å; L157-L176 HydrophobicContact CD2-CB 4.23Å; L157-L176 HydrophobicContact CD2-CD1 4.27Å; L157-L176 HydrophobicContact CD2-CD2 3.96Å; L157-L176 HydrophobicContact CD2-CG 4.39Å; L157-W179 HydrophobicContact CB-CD2 3.98Å; L157-W179 HydrophobicContact CB-CE3 3.87Å; L157-W179 HydrophobicContact CB-CH2 4.34Å; L157-W179 HydrophobicContact CB-CZ2 4.4Å; L157-W179 HydrophobicContact CB-CZ3 4.07Å; L157-W179 HydrophobicContact CD1-CB 3.9Å; L157-W179 HydrophobicContact CD1-CD2 4.15Å; L157-W179 HydrophobicContact CD1-CE3 4.24Å; L157-W179 HydrophobicContact CD1-CG 4.01Å |
| 158 | G | 94.3 | Very high | 96.3 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 19% | 0.186 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -105.3 | -10.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | D154 | D154-G158 CarbonylContact O-C 3.58Å; D154-G158 WeakPolarHBondContact O-CA 3.25Å; D154-G158 PolarHBondContact O-N 2.73Å; D154-G158 VanDerWaalsContact O-N 3.15Å |
| 159 | V | 94.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -128.8 | -63.2 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | D154 W155 Y163 | D154-V159 PolarHBondContact O-N 3.33Å; W155-V159 HydrophobicContact CG-CB 4.39Å; W155-V159 CarbonylContact O-C 3.52Å; W155-V159 VanDerWaalsContact O-CA 3.31Å; W155-V159 WeakPolarHBondContact O-CA 3.37Å; W155-V159 WeakPolarHBondContact O-CB 3.39Å; W155-V159 PolarHBondContact O-N 2.92Å; V159-Y163 HydrophobicContact CB-CD2 4.38Å; V159-Y163 HydrophobicContact CB-CE2 4.48Å; V159-Y163 HydrophobicContact CG1-CD2 3.74Å; V159-Y163 HydrophobicContact CG1-CE2 3.94Å; V159-Y163 WeakPolarHBondContact O-CB 3.12Å; V159-Y163 WeakPolarHBondContact O-CD2 3.34Å; V159-Y163 PolarHBondContact O-N 3.34Å |
| 160 | C | 95.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -64.3 | -65.9 | -170.1 | -160.5 | 0 | 0 | 0 | 0 | 112 | W155 D156 E162 Y163 E164 | W155-C160 HydrophobicContact CD2-CB 4.39Å; W155-C160 HydrophobicContact CE3-CB 4.19Å; W155-C160 HydrophobicContact CH2-CB 3.39Å; W155-C160 WeakPolarHBondContact CH2-SG 3.32Å; W155-C160 HydrophobicContact CZ2-CB 3.67Å; W155-C160 HydrophobicContact CZ3-CB 3.69Å; W155-C160 PolarHBondContact O-N 2.92Å; D156-C160 PolarHBondContact O-N 3.18Å; C160-E162 PolarHBondContact O-N 2.87Å; C160-Y163 PolarHBondContact O-N 3.03Å; C160-E164 VanDerWaalsContact O-CB 3.27Å; C160-E164 WeakPolarHBondContact O-CB 3.41Å; C160-E164 PolarHBondContact O-N 3.42Å |
| 161 | L | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -35.9 | 179.5 | -179.2 | 64.4 | 0 | 0 | 0 | 112 | F42 I58 L110 L114 D156 L157 C165 K172 L176 | F42-L161 HydrophobicContact CE2-CB 3.81Å; F42-L161 HydrophobicContact CE2-CD2 4.28Å; F42-L161 HydrophobicContact CZ-CB 4.47Å; F42-L161 HydrophobicContact CZ-CD2 4.19Å; I58-L161 HydrophobicContact CD1-CB 4.06Å; I58-L161 HydrophobicContact CD1-CD1 3.94Å; L110-L161 HydrophobicContact CD1-CD1 4.44Å; L110-L161 HydrophobicContact CD2-CD1 4.31Å; L114-L161 HydrophobicContact CD1-CD1 4.37Å; L114-L161 HydrophobicContact CD2-CD1 4.12Å; D156-L161 PolarHBondContact O-N 2.97Å; L157-L161 HydrophobicContact CD2-CD2 3.89Å; L161-C165 VanDerWaalsContact CD1-SG 3.57Å; L161-C165 VanDerWaalsContact O-CB 3.25Å; L161-C165 WeakPolarHBondContact O-CB 3.5Å; L161-C165 PolarHBondContact O-N 2.84Å; L161-C165 PolarHBondContact O-SG 3.43Å; L161-C165 VanDerWaalsContact O-SG 3.4Å; L161-K172 HydrophobicContact CD2-CD 4.5Å; L161-K172 HydrophobicContact CD2-CG 4.18Å; L161-K172 HydrophobicContact CG-CD 4.43Å; L161-K172 HydrophobicContact CG-CG 4.27Å; L161-L176 HydrophobicContact CD2-CD1 3.62Å |
| 162 | E | 96.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 14% | 0.136 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -47.6 | -179.9 | -176.4 | 62.3 | -159.8 | 0 | 0 | 112.6 | C160 K166 K172 L242 | C160-E162 PolarHBondContact O-N 2.87Å; E162-K166 WeakPolarHBondContact O-CB 3.4Å; E162-K166 WeakPolarHBondContact O-CD 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.22Å; E162-K166 PolarHBondContact O-N 2.77Å; E162-K166 WeakPolarHBondContact OE1-CE 3.08Å; E162-K166 IonicContact OE1-NZ 3.86Å; E162-K166 PolarHBondContact OE1-NZ 2.98Å; E162-K172 VanDerWaalsContact OE2-CD 3.26Å; E162-K172 WeakPolarHBondContact OE2-CD 3.45Å; E162-K172 IonicContact OE2-NZ 3.23Å; E162-K172 PolarHBondContact OE2-NZ 3.37Å; E162-L242 WeakPolarHBondContact OE2-CD1 3.38Å |
| 163 | Y | 95.9 | Very high | 95.7 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 53% | 0.533 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -80 | -34.4 | 178.9 | -71.3 | -59.3 | 0 | 0 | 0 | 112.5 | V159 C160 K166 R167 | V159-Y163 HydrophobicContact CB-CD2 4.38Å; V159-Y163 HydrophobicContact CB-CE2 4.48Å; V159-Y163 HydrophobicContact CG1-CD2 3.74Å; V159-Y163 HydrophobicContact CG1-CE2 3.94Å; V159-Y163 WeakPolarHBondContact O-CB 3.12Å; V159-Y163 WeakPolarHBondContact O-CD2 3.34Å; V159-Y163 PolarHBondContact O-N 3.34Å; C160-Y163 PolarHBondContact O-N 3.03Å; Y163-K166 PolarHBondContact O-N 2.9Å; Y163-R167 WeakPolarHBondContact O-CG 3.33Å; Y163-R167 PolarHBondContact O-N 2.84Å |
| 164 | E | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.6 | -47.9 | 178.1 | -174.8 | 174.9 | -179.3 | 0 | 0 | 112 | E57 I58 L110 C160 K166 R167 K168 | E57-E164 WeakPolarHBondContact CA-OE2 3.21Å; I58-E164 WeakPolarHBondContact CG1-OE2 3.48Å; I58-E164 PolarHBondContact N-OE2 3.06Å; L110-E164 HydrophobicContact CD2-CB 4.41Å; L110-E164 VanDerWaalsContact CD2-CD 3.42Å; L110-E164 HydrophobicContact CD2-CG 3.73Å; C160-E164 VanDerWaalsContact O-CB 3.27Å; C160-E164 WeakPolarHBondContact O-CB 3.41Å; C160-E164 PolarHBondContact O-N 3.42Å; E164-K166 PolarHBondContact O-N 2.84Å; E164-R167 PolarHBondContact O-N 3.24Å; E164-R167 VanDerWaalsContact O-N 3.12Å; E164-K168 HydrophobicContact CG-CD 3.91Å; E164-K168 HydrophobicContact CG-CG 4.4Å; E164-K168 WeakPolarHBondContact O-CB 3.48Å; E164-K168 PolarHBondContact O-N 3.06Å; E164-K168 WeakPolarHBondContact OE1-CE 3.49Å; E164-K168 IonicContact OE1-NZ 3.36Å; E164-K168 PolarHBondContact OE1-NZ 2.85Å |
| 165 | C | 97.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -37.9 | 172.9 | -76.1 | 0 | 0 | 0 | 0 | 111.7 | L161 Q169 L170 K172 | L161-C165 VanDerWaalsContact CD1-SG 3.57Å; L161-C165 VanDerWaalsContact O-CB 3.25Å; L161-C165 WeakPolarHBondContact O-CB 3.5Å; L161-C165 PolarHBondContact O-N 2.84Å; L161-C165 PolarHBondContact O-SG 3.43Å; L161-C165 VanDerWaalsContact O-SG 3.4Å; C165-Q169 CarbonylContact O-C 3.6Å; C165-Q169 WeakPolarHBondContact O-CA 3.39Å; C165-Q169 PolarHBondContact O-N 2.82Å; C165-L170 HydrophobicContact CB-CB 4.16Å; C165-L170 WeakPolarHBondContact CB-O 3.4Å; C165-L170 PolarHBondContact O-N 2.86Å; C165-K172 HydrophobicContact CB-CB 4.26Å |
| 166 | K | 95.8 | Very high | 95.5 | Very high | 139 Ų | 139 | 50.3 Ų | 50.3 | 60% | 0.604 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -68 | -36.2 | 176.2 | -82 | 172.1 | 169.4 | 160.9 | 0 | 114.1 | E162 Y163 E164 | E162-K166 WeakPolarHBondContact O-CB 3.4Å; E162-K166 WeakPolarHBondContact O-CD 3.42Å; E162-K166 WeakPolarHBondContact O-CG 3.22Å; E162-K166 PolarHBondContact O-N 2.77Å; E162-K166 WeakPolarHBondContact OE1-CE 3.08Å; E162-K166 IonicContact OE1-NZ 3.86Å; E162-K166 PolarHBondContact OE1-NZ 2.98Å; Y163-K166 PolarHBondContact O-N 2.9Å; E164-K166 PolarHBondContact O-N 2.84Å |
| 167 | R | 95.6 | Very high | 95.4 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.2 | -45.9 | 174.4 | -67 | -171.6 | -40.5 | -88.4 | -2.8 | 111.4 | Q56 E85 Y163 E164 Q169 | Q56-R167 PolarHBondContact O-NH1 2.99Å; Q56-R167 PolarHBondContact O-NH2 3.24Å; E85-R167 VanDerWaalsContact CD-NE 3.26Å; E85-R167 IonicContact OE1-CZ 2.71Å; E85-R167 IonicContact OE1-NE 3.72Å; E85-R167 PolarHBondContact OE1-NE 2.81Å; E85-R167 IonicContact OE1-NH2 2.7Å; E85-R167 PolarHBondContact OE1-NH2 2.91Å; E85-R167 IonicContact OE2-CZ 3.36Å; E85-R167 IonicContact OE2-NE 2.89Å; E85-R167 PolarHBondContact OE2-NE 3.16Å; E85-R167 IonicContact OE2-NH2 3.2Å; E85-R167 PolarHBondContact OE2-NH2 3.37Å; Y163-R167 WeakPolarHBondContact O-CG 3.33Å; Y163-R167 PolarHBondContact O-N 2.84Å; E164-R167 PolarHBondContact O-N 3.24Å; E164-R167 VanDerWaalsContact O-N 3.12Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 3.35Å |
| 168 | K | 95.8 | Very high | 95.3 | Very high | 38 Ų | 38 | 52 Ų | 52 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7.1 | -177.3 | -63.1 | -175.7 | 176.7 | 177.1 | 0 | 114.4 | E57 E164 L170 | E57-K168 WeakPolarHBondContact OE1-CE 3.41Å; E57-K168 IonicContact OE1-NZ 3.62Å; E57-K168 PolarHBondContact OE1-NZ 3.36Å; E164-K168 HydrophobicContact CG-CD 3.91Å; E164-K168 HydrophobicContact CG-CG 4.4Å; E164-K168 WeakPolarHBondContact O-CB 3.48Å; E164-K168 PolarHBondContact O-N 3.06Å; E164-K168 WeakPolarHBondContact OE1-CE 3.49Å; E164-K168 IonicContact OE1-NZ 3.36Å; E164-K168 PolarHBondContact OE1-NZ 2.85Å; K168-L170 HydrophobicContact CB-CD1 4.09Å; K168-L170 HydrophobicContact CB-CG 3.87Å; K168-L170 PolarHBondContact O-N 3.42Å |
| 169 | Q | 96.6 | Very high | 95.4 | Very high | 183 Ų | 183 | 51.4 Ų | 51.4 | 86% | 0.855 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.2 | -179.1 | -52.1 | -176.2 | 26.5 | 0 | 0 | 113.9 | C165 R167 | C165-Q169 CarbonylContact O-C 3.6Å; C165-Q169 WeakPolarHBondContact O-CA 3.39Å; C165-Q169 PolarHBondContact O-N 2.82Å; R167-Q169 VanDerWaalsContact C-N 3.26Å; R167-Q169 PolarHBondContact O-N 3.35Å |
| 170 | L | 96.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | trans | -92.1 | 140.1 | 180 | -56.2 | -179.2 | 0 | 0 | 0 | 111.3 | L110 K111 C165 K168 K172 | L110-L170 HydrophobicContact CB-CD1 4.19Å; L110-L170 HydrophobicContact CD2-CD1 4.1Å; L110-L170 HydrophobicContact CG-CD1 4.09Å; K111-L170 HydrophobicContact CB-CD1 4.23Å; K111-L170 HydrophobicContact CB-CD2 3.86Å; K111-L170 HydrophobicContact CD-CD2 4.11Å; K111-L170 HydrophobicContact CG-CD2 4.05Å; C165-L170 HydrophobicContact CB-CB 4.16Å; C165-L170 WeakPolarHBondContact CB-O 3.4Å; C165-L170 PolarHBondContact O-N 2.86Å; K168-L170 HydrophobicContact CB-CD1 4.09Å; K168-L170 HydrophobicContact CB-CG 3.87Å; K168-L170 PolarHBondContact O-N 3.42Å; L170-K172 PolarHBondContact O-N 3.49Å | ||
| 171 | L | 94.6 | Very high | 95.6 | Very high | 166 Ų | 166 | 49 Ų | 49 | 87% | 0.869 | 23% | 0.232 | S | C | * | . | trans | -74.5 | 112.2 | 169.7 | -63.8 | 179.4 | 0 | 0 | 0 | 109.9 | ||||
| 172 | K | 95.1 | Very high | 95.7 | Very high | 28 Ų | 28 | 49 Ų | 49 | 12% | 0.122 | 23% | 0.232 | C | C | . | . | trans | -71.5 | 129 | 172.8 | -176.7 | -173.4 | 178.8 | -161.8 | 0 | 110.1 | L157 L161 E162 C165 L170 V174 N177 | L157-K172 PolarHBondContact O-NZ 3.25Å; L161-K172 HydrophobicContact CD2-CD 4.5Å; L161-K172 HydrophobicContact CD2-CG 4.18Å; L161-K172 HydrophobicContact CG-CD 4.43Å; L161-K172 HydrophobicContact CG-CG 4.27Å; E162-K172 VanDerWaalsContact OE2-CD 3.26Å; E162-K172 WeakPolarHBondContact OE2-CD 3.45Å; E162-K172 IonicContact OE2-NZ 3.23Å; E162-K172 PolarHBondContact OE2-NZ 3.37Å; C165-K172 HydrophobicContact CB-CB 4.26Å; L170-K172 PolarHBondContact O-N 3.49Å; K172-V174 PolarHBondContact O-N 2.87Å; K172-N177 WeakPolarHBondContact CE-OD1 3.02Å; K172-N177 PolarHBondContact NZ-OD1 3.23Å | ||
| 173 | P | 94.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | trans | -57.8 | 126.7 | 178.5 | -26.1 | 34.5 | 0 | 0 | 0 | 112.8 | L114 F175 L176 | L114-P173 HydrophobicContact CD2-CG 4.28Å; P173-F175 HydrophobicContact CB-CD1 4.17Å; P173-F175 HydrophobicContact CB-CD2 4.29Å; P173-F175 HydrophobicContact CB-CE1 3.69Å; P173-F175 HydrophobicContact CB-CE2 3.83Å; P173-F175 HydrophobicContact CB-CG 4.46Å; P173-F175 HydrophobicContact CB-CZ 3.5Å; P173-F175 HydrophobicContact CG-CZ 4.27Å; P173-F175 PolarHBondContact O-N 3.38Å; P173-F175 VanDerWaalsContact O-N 3.16Å; P173-L176 HydrophobicContact CB-CD1 4.47Å; P173-L176 HydrophobicContact CG-CD1 4.44Å; P173-L176 WeakPolarHBondContact O-CB 3.37Å; P173-L176 PolarHBondContact O-N 3.06Å | ||
| 174 | V | 91.9 | Very high | 95.7 | Very high | 87 Ų | 87 | 44 Ų | 44 | 53% | 0.527 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -61.5 | -30.1 | -170.4 | -177.3 | 0 | 0 | 0 | 0 | 112.9 | K172 L176 N177 | K172-V174 PolarHBondContact O-N 2.87Å; V174-L176 PolarHBondContact O-N 3.31Å; V174-N177 VanDerWaalsContact O-CB 3.3Å; V174-N177 WeakPolarHBondContact O-CB 3.49Å; V174-N177 PolarHBondContact O-N 2.91Å |
| 175 | F | 91.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 44.7 Ų | 44.7 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -63.9 | -24 | 176.1 | 54.8 | -108 | 0 | 0 | 0 | 113.3 | F117 I121 F132 F149 P173 N177 | F117-F175 HydrophobicContact CD1-CE2 4.4Å; F117-F175 HydrophobicContact CE1-CE2 4.05Å; I121-F175 HydrophobicContact CB-CZ 4.46Å; I121-F175 HydrophobicContact CG1-CE2 4.12Å; I121-F175 HydrophobicContact CG1-CZ 4.21Å; I121-F175 HydrophobicContact CG2-CE1 4.49Å; I121-F175 HydrophobicContact CG2-CZ 4.28Å; F132-F175 HydrophobicContact CD2-CB 4.33Å; F132-F175 HydrophobicContact CG-CB 4.42Å; F149-F175 WeakPolarHBondContact CD2-O 3.43Å; F149-F175 HydrophobicContact CE2-CB 4.11Å; F149-F175 AromaticContact CE2-CD2 3.65Å; F149-F175 HydrophobicContact CE2-CD2 3.65Å; F149-F175 HydrophobicContact CE2-CG 4.32Å; F149-F175 WeakPolarHBondContact CE2-O 3.13Å; F149-F175 AromaticContact CZ-CD2 3.54Å; F149-F175 HydrophobicContact CZ-CD2 3.54Å; F149-F175 HydrophobicContact CZ-CE2 4.04Å; F149-F175 HydrophobicContact CZ-CG 4.49Å; P173-F175 HydrophobicContact CB-CD1 4.17Å; P173-F175 HydrophobicContact CB-CD2 4.29Å; P173-F175 HydrophobicContact CB-CE1 3.69Å; P173-F175 HydrophobicContact CB-CE2 3.83Å; P173-F175 HydrophobicContact CB-CG 4.46Å; P173-F175 HydrophobicContact CB-CZ 3.5Å; P173-F175 HydrophobicContact CG-CZ 4.27Å; P173-F175 PolarHBondContact O-N 3.38Å; P173-F175 VanDerWaalsContact O-N 3.16Å; F175-N177 PolarHBondContact O-N 2.81Å |
| 176 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -79.1 | -0 | 173.8 | -67.8 | 179.5 | 0 | 0 | 0 | 113.8 | I40 F117 F149 L157 L161 P173 V174 S178 | I40-L176 HydrophobicContact CD1-CD2 4.12Å; F117-L176 HydrophobicContact CE1-CD1 4.22Å; F117-L176 HydrophobicContact CE1-CD2 4.09Å; F149-L176 HydrophobicContact CD1-CD2 3.73Å; F149-L176 HydrophobicContact CD2-CD2 4.14Å; F149-L176 HydrophobicContact CE1-CD2 3.68Å; F149-L176 HydrophobicContact CE2-CD2 4.11Å; F149-L176 HydrophobicContact CG-CD2 3.97Å; F149-L176 HydrophobicContact CZ-CD2 3.89Å; L157-L176 HydrophobicContact CD1-CD2 4.26Å; L157-L176 HydrophobicContact CD2-CB 4.23Å; L157-L176 HydrophobicContact CD2-CD1 4.27Å; L157-L176 HydrophobicContact CD2-CD2 3.96Å; L157-L176 HydrophobicContact CD2-CG 4.39Å; L161-L176 HydrophobicContact CD2-CD1 3.62Å; P173-L176 HydrophobicContact CB-CD1 4.47Å; P173-L176 HydrophobicContact CG-CD1 4.44Å; P173-L176 WeakPolarHBondContact O-CB 3.37Å; P173-L176 PolarHBondContact O-N 3.06Å; V174-L176 PolarHBondContact O-N 3.31Å; L176-S178 VanDerWaalsContact C-N 3.33Å |
| 177 | N | 94.9 | Very high | 95.8 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 13% | 0.128 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -82.7 | -3.3 | 178.5 | -74.5 | -10.3 | 0 | 0 | 0 | 114.3 | K172 V174 F175 S241 L242 N243 | K172-N177 WeakPolarHBondContact CE-OD1 3.02Å; K172-N177 PolarHBondContact NZ-OD1 3.23Å; V174-N177 VanDerWaalsContact O-CB 3.3Å; V174-N177 WeakPolarHBondContact O-CB 3.49Å; V174-N177 PolarHBondContact O-N 2.91Å; F175-N177 PolarHBondContact O-N 2.81Å; N177-S241 CarbonylContact O-C 3.55Å; N177-S241 VanDerWaalsContact O-CA 3.24Å; N177-S241 WeakPolarHBondContact O-CA 3.21Å; N177-L242 HydrophobicContact CB-CB 4.11Å; N177-L242 HydrophobicContact CB-CD1 4.5Å; N177-L242 PolarHBondContact O-N 3.25Å; N177-N243 WeakPolarHBondContact CB-OD1 3.44Å; N177-N243 PolarHBondContact ND2-OD1 3.19Å |
| 178 | S | 94.6 | Very high | 95.8 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 127.6 | 176 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | L176 R240 S241 | L176-S178 VanDerWaalsContact C-N 3.33Å; S178-R240 VanDerWaalsContact CA-O 3.29Å; S178-R240 WeakPolarHBondContact CA-O 3.4Å; S178-S241 WeakPolarHBondContact OG-CB 3.46Å; S178-S241 PolarHBondContact OG-OG 2.85Å |
| 179 | W | 97 | Very high | 95.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 173.2 | -173.6 | 69.1 | 96.8 | 0 | 0 | 0 | 113.9 | F149 T151 L157 T239 R240 L242 | F149-W179 HydrophobicContact CB-CB 3.97Å; F149-W179 CarbonylContact O-C 3.49Å; F149-W179 VanDerWaalsContact O-CA 3.25Å; F149-W179 WeakPolarHBondContact O-CA 3.36Å; F149-W179 WeakPolarHBondContact O-CB 3.44Å; T151-W179 VanDerWaalsContact OG1-CD1 3.3Å; L157-W179 HydrophobicContact CB-CD2 3.98Å; L157-W179 HydrophobicContact CB-CE3 3.87Å; L157-W179 HydrophobicContact CB-CH2 4.34Å; L157-W179 HydrophobicContact CB-CZ2 4.4Å; L157-W179 HydrophobicContact CB-CZ3 4.07Å; L157-W179 HydrophobicContact CD1-CB 3.9Å; L157-W179 HydrophobicContact CD1-CD2 4.15Å; L157-W179 HydrophobicContact CD1-CE3 4.24Å; L157-W179 HydrophobicContact CD1-CG 4.01Å; W179-T239 PolarHBondContact O-N 3.14Å; W179-T239 PolarHBondContact O-OG1 3.24Å; W179-R240 HydrophobicContact CD2-CB 3.76Å; W179-R240 HydrophobicContact CD2-CG 4.41Å; W179-R240 VanDerWaalsContact CE2-CB 3.49Å; W179-R240 HydrophobicContact CE3-CB 4.15Å; W179-R240 HydrophobicContact CG-CB 4.3Å; W179-R240 HydrophobicContact CH2-CB 4.03Å; W179-R240 HydrophobicContact CZ2-CB 3.64Å; W179-R240 HydrophobicContact CZ2-CG 3.78Å; W179-R240 HydrophobicContact CZ3-CB 4.28Å; W179-R240 PolarHBondContact N-O 2.92Å; W179-R240 PolarHBondContact O-N 2.96Å; W179-L242 HydrophobicContact CH2-CD1 4.04Å; W179-L242 HydrophobicContact CH2-CD2 4.27Å; W179-L242 HydrophobicContact CH2-CG 3.99Å; W179-L242 HydrophobicContact CZ3-CD1 3.86Å; W179-L242 HydrophobicContact CZ3-CG 3.88Å |
| 180 | I | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 114.7 | 174.8 | -48.7 | -172.6 | 0 | 0 | 0 | 109 | F34 L37 A148 F149 V150 T151 L182 M236 K237 I238 T239 | F34-I180 HydrophobicContact CD2-CD1 4.3Å; F34-I180 HydrophobicContact CE2-CD1 4.08Å; L37-I180 HydrophobicContact CD2-CD1 4.09Å; A148-I180 HydrophobicContact CB-CD1 4.04Å; A148-I180 HydrophobicContact CB-CG1 4.27Å; F149-I180 PolarHBondContact O-N 3.08Å; V150-I180 WeakPolarHBondContact CA-O 3.39Å; V150-I180 HydrophobicContact CG1-CB 4.39Å; V150-I180 HydrophobicContact CG2-CB 4.18Å; V150-I180 HydrophobicContact CG2-CD1 4.3Å; V150-I180 HydrophobicContact CG2-CG1 4.41Å; T151-I180 PolarHBondContact N-O 3.25Å; I180-L182 PolarHBondContact O-N 3.1Å; I180-M236 HydrophobicContact CD1-CB 3.9Å; I180-K237 WeakPolarHBondContact CG1-O 3.48Å; I180-I238 HydrophobicContact CG1-CD1 4.18Å; I180-T239 HydrophobicContact CG2-CG2 4.37Å |
| 181 | D | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 101.3 | 162.8 | 173.7 | -16.1 | 0 | 0 | 0 | 106.8 | R183 A184 T185 T239 | D181-R183 PolarHBondContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CA 3.28Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 PolarHBondContact OD1-N 2.72Å; D181-A184 HydrophobicContact CB-CB 3.84Å; D181-A184 VanDerWaalsContact CG-CB 3.44Å; D181-A184 PolarHBondContact O-N 3Å; D181-A184 PolarHBondContact OD1-N 2.67Å; D181-A184 WeakPolarHBondContact OD2-CB 3.43Å; D181-T185 PolarHBondContact O-N 3.34Å; D181-T185 PolarHBondContact O-OG1 3.24Å; D181-T239 PolarHBondContact N-OG1 3.39Å |
| 182 | L | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -31.4 | -177.9 | -170.3 | 67.8 | 0 | 0 | 0 | 111.1 | V150 T151 W152 I180 T185 Y186 T222 L225 A226 M229 M236 | V150-L182 HydrophobicContact CG1-CB 3.9Å; V150-L182 HydrophobicContact CG1-CD1 4.43Å; T151-L182 WeakPolarHBondContact O-CB 3.27Å; T151-L182 PolarHBondContact O-N 2.75Å; W152-L182 HydrophobicContact CE3-CB 4.43Å; I180-L182 PolarHBondContact O-N 3.1Å; L182-T185 PolarHBondContact O-N 2.7Å; L182-Y186 VanDerWaalsContact O-CB 3.3Å; L182-Y186 WeakPolarHBondContact O-CB 3.3Å; L182-Y186 PolarHBondContact O-N 3.29Å; L182-T222 HydrophobicContact CB-CG2 4.49Å; L182-T222 HydrophobicContact CD2-CG2 3.56Å; L182-T222 WeakPolarHBondContact CD2-O 3.3Å; L182-L225 HydrophobicContact CD2-CB 4.13Å; L182-L225 HydrophobicContact CD2-CD2 4.13Å; L182-L225 HydrophobicContact CD2-CG 4.09Å; L182-A226 HydrophobicContact CD1-CB 3.9Å; L182-A226 HydrophobicContact CD2-CB 4.01Å; L182-M229 HydrophobicContact CD1-CE 3.85Å; L182-M229 HydrophobicContact CD1-SD 3.87Å; L182-M229 HydrophobicContact CG-SD 4.22Å; L182-M236 HydrophobicContact CD1-CE 3.81Å; L182-M236 HydrophobicContact CD1-SD 4.23Å |
| 183 | R | 97.2 | Very high | 95.5 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 12% | 0.121 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.4 | -32.4 | 177.9 | -170.2 | -174.1 | -171 | 166 | 12.9 | 112.4 | W152 D181 K187 P194 P686 | W152-R183 HydrophobicContact CD2-CB 3.95Å; W152-R183 HydrophobicContact CD2-CG 4.43Å; W152-R183 HydrophobicContact CE3-CB 3.84Å; W152-R183 HydrophobicContact CH2-CB 3.7Å; W152-R183 HydrophobicContact CH2-CG 3.54Å; W152-R183 HydrophobicContact CZ2-CB 3.78Å; W152-R183 VanDerWaalsContact CZ2-CD 3.45Å; W152-R183 HydrophobicContact CZ2-CG 3.39Å; W152-R183 HydrophobicContact CZ3-CB 3.73Å; W152-R183 HydrophobicContact CZ3-CG 4.12Å; W152-R183 WeakPolarHBondContact O-CB 3.09Å; D181-R183 PolarHBondContact O-N 3.1Å; D181-R183 WeakPolarHBondContact OD1-CA 3.28Å; D181-R183 WeakPolarHBondContact OD1-CB 3.39Å; D181-R183 PolarHBondContact OD1-N 2.72Å; R183-K187 WeakPolarHBondContact O-CD 3.39Å; R183-K187 WeakPolarHBondContact O-CE 3.48Å; R183-K187 WeakPolarHBondContact O-CG 3.32Å; R183-K187 PolarHBondContact O-N 3.23Å; R183-K187 VanDerWaalsContact O-N 3.15Å; R183-K187 PolarHBondContact O-NZ 3.45Å; R183-P194 HydrophobicContact CG-CG 3.89Å; R183-P194 PolarHBondContact NH2-O 3.5Å; R183-P686 PolarHBondContact NH1-O 3.16Å |
| 184 | A | 96.3 | Very high | 95.3 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D181 K187 L188 | D181-A184 HydrophobicContact CB-CB 3.84Å; D181-A184 VanDerWaalsContact CG-CB 3.44Å; D181-A184 PolarHBondContact O-N 3Å; D181-A184 PolarHBondContact OD1-N 2.67Å; D181-A184 WeakPolarHBondContact OD2-CB 3.43Å; A184-K187 PolarHBondContact O-N 2.82Å; A184-L188 PolarHBondContact O-N 3.13Å |
| 185 | T | 97.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.3 | -50.7 | 0 | 0 | 0 | 0 | 111.4 | D181 L182 K187 L188 F189 M229 M236 | D181-T185 PolarHBondContact O-N 3.34Å; D181-T185 PolarHBondContact O-OG1 3.24Å; L182-T185 PolarHBondContact O-N 2.7Å; T185-K187 PolarHBondContact O-N 3.11Å; T185-L188 PolarHBondContact O-N 3.31Å; T185-F189 VanDerWaalsContact O-CB 3.3Å; T185-F189 WeakPolarHBondContact O-CB 3.32Å; T185-F189 PolarHBondContact O-N 2.71Å; T185-M229 HydrophobicContact CG2-CE 3.59Å; T185-M236 HydrophobicContact CG2-SD 4.11Å |
| 186 | Y | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 173.9 | -177.7 | -75.7 | 0 | 0 | 0 | 111.8 | L182 L188 F189 Y190 R192 P194 A200 E203 V204 L225 M229 | L182-Y186 VanDerWaalsContact O-CB 3.3Å; L182-Y186 WeakPolarHBondContact O-CB 3.3Å; L182-Y186 PolarHBondContact O-N 3.29Å; Y186-L188 VanDerWaalsContact C-N 3.34Å; Y186-L188 PolarHBondContact O-N 2.97Å; Y186-F189 PolarHBondContact O-N 3.26Å; Y186-Y190 HydrophobicContact CD1-CD2 4.14Å; Y186-Y190 AromaticContact CD2-CD2 3.47Å; Y186-Y190 HydrophobicContact CD2-CD2 3.47Å; Y186-Y190 VanDerWaalsContact CD2-CD2 3.47Å; Y186-Y190 AromaticContact CD2-CE2 3.66Å; Y186-Y190 HydrophobicContact CD2-CE2 3.66Å; Y186-Y190 HydrophobicContact CE1-CD2 4.07Å; Y186-Y190 AromaticContact CE2-CD2 3.37Å; Y186-Y190 HydrophobicContact CE2-CD2 3.37Å; Y186-Y190 AromaticContact CE2-CE2 3.56Å; Y186-Y190 HydrophobicContact CE2-CE2 3.56Å; Y186-Y190 HydrophobicContact CE2-CG 4.45Å; Y186-Y190 AromaticContact CG-CD2 3.84Å; Y186-Y190 HydrophobicContact CG-CD2 3.84Å; Y186-Y190 HydrophobicContact CG-CE2 4.43Å; Y186-Y190 AromaticContact CZ-CD2 3.68Å; Y186-Y190 PolarHBondContact O-N 3.15Å; Y186-R192 HydrophobicContact CE1-CB 4.34Å; Y186-P194 HydrophobicContact CD1-CB 4.17Å; Y186-P194 HydrophobicContact CD1-CG 3.66Å; Y186-P194 HydrophobicContact CE1-CB 3.9Å; Y186-P194 HydrophobicContact CE1-CG 3.9Å; Y186-P194 HydrophobicContact CG-CG 4.34Å; Y186-A200 HydrophobicContact CD2-CB 4.15Å; Y186-A200 HydrophobicContact CE2-CB 3.78Å; Y186-E203 WeakPolarHBondContact OH-CB 3.47Å; Y186-E203 PolarHBondContact OH-OE2 3.38Å; Y186-V204 HydrophobicContact CE2-CG1 4.03Å; Y186-L225 HydrophobicContact CD2-CD1 4.22Å; Y186-L225 HydrophobicContact CD2-CD2 4.31Å; Y186-L225 HydrophobicContact CE2-CD1 4.2Å; Y186-M229 HydrophobicContact CD2-SD 3.97Å; Y186-M229 HydrophobicContact CG-SD 4.48Å |
| 187 | K | 96.6 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.5 Ų | 54.5 | 33% | 0.326 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.9 | -44.3 | 178.6 | -70.1 | 160.9 | -156.8 | 126.9 | 0 | 111.6 | R183 A184 T185 R191 R192 | R183-K187 WeakPolarHBondContact O-CD 3.39Å; R183-K187 WeakPolarHBondContact O-CE 3.48Å; R183-K187 WeakPolarHBondContact O-CG 3.32Å; R183-K187 PolarHBondContact O-N 3.23Å; R183-K187 VanDerWaalsContact O-N 3.15Å; R183-K187 PolarHBondContact O-NZ 3.45Å; A184-K187 PolarHBondContact O-N 2.82Å; T185-K187 PolarHBondContact O-N 3.11Å; K187-R191 WeakPolarHBondContact O-CA 3.28Å; K187-R191 PolarHBondContact O-N 2.65Å; K187-R191 VanDerWaalsContact O-N 3.09Å; K187-R192 VanDerWaalsContact CA-O 3.32Å; K187-R192 WeakPolarHBondContact CA-O 3.42Å |
| 188 | L | 96.4 | Very high | 95.3 | Very high | 143 Ų | 143 | 54.8 Ų | 54.8 | 75% | 0.749 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -67.3 | -46.9 | -179.6 | -178.3 | 61.8 | 0 | 0 | 0 | 111.4 | A184 T185 Y186 | A184-L188 PolarHBondContact O-N 3.13Å; T185-L188 PolarHBondContact O-N 3.31Å; Y186-L188 VanDerWaalsContact C-N 3.34Å; Y186-L188 PolarHBondContact O-N 2.97Å |
| 189 | F | 97.1 | Very high | 95.3 | Very high | 68 Ų | 68 | 55 Ų | 55 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -71.3 | -56.8 | -175.1 | -176.6 | -112.1 | 0 | 0 | 0 | 112.8 | T185 Y186 R191 D232 C234 | T185-F189 VanDerWaalsContact O-CB 3.3Å; T185-F189 WeakPolarHBondContact O-CB 3.32Å; T185-F189 PolarHBondContact O-N 2.71Å; Y186-F189 PolarHBondContact O-N 3.26Å; F189-R191 VanDerWaalsContact C-N 3.35Å; F189-D232 HydrophobicContact CE1-CB 3.85Å; F189-D232 HydrophobicContact CZ-CB 4.03Å; F189-C234 HydrophobicContact CD1-CB 3.95Å; F189-C234 HydrophobicContact CD2-CB 3.68Å; F189-C234 HydrophobicContact CE1-CB 3.99Å; F189-C234 HydrophobicContact CE2-CB 3.74Å; F189-C234 HydrophobicContact CG-CB 3.8Å; F189-C234 HydrophobicContact CZ-CB 3.89Å |
| 190 | Y | 96.5 | Very high | 95.3 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -83.7 | -8.2 | -177.7 | -66.4 | -61.7 | 0 | 0 | 0 | 114.1 | Y186 R192 V204 M229 D232 | Y186-Y190 HydrophobicContact CD1-CD2 4.14Å; Y186-Y190 AromaticContact CD2-CD2 3.47Å; Y186-Y190 HydrophobicContact CD2-CD2 3.47Å; Y186-Y190 VanDerWaalsContact CD2-CD2 3.47Å; Y186-Y190 AromaticContact CD2-CE2 3.66Å; Y186-Y190 HydrophobicContact CD2-CE2 3.66Å; Y186-Y190 HydrophobicContact CE1-CD2 4.07Å; Y186-Y190 AromaticContact CE2-CD2 3.37Å; Y186-Y190 HydrophobicContact CE2-CD2 3.37Å; Y186-Y190 AromaticContact CE2-CE2 3.56Å; Y186-Y190 HydrophobicContact CE2-CE2 3.56Å; Y186-Y190 HydrophobicContact CE2-CG 4.45Å; Y186-Y190 AromaticContact CG-CD2 3.84Å; Y186-Y190 HydrophobicContact CG-CD2 3.84Å; Y186-Y190 HydrophobicContact CG-CE2 4.43Å; Y186-Y190 AromaticContact CZ-CD2 3.68Å; Y186-Y190 PolarHBondContact O-N 3.15Å; Y190-R192 VanDerWaalsContact C-N 3.26Å; Y190-R192 PolarHBondContact O-N 3.07Å; Y190-V204 HydrophobicContact CD2-CG1 4.47Å; Y190-V204 HydrophobicContact CE1-CG1 4.34Å; Y190-V204 HydrophobicContact CE2-CG1 3.65Å; Y190-V204 WeakPolarHBondContact OH-CG1 3.27Å; Y190-M229 HydrophobicContact CE2-CG 3.53Å; Y190-M229 HydrophobicContact CE2-SD 4.23Å; Y190-D232 PolarHBondContact OH-OD2 3.16Å |
| 191 | R | 94.9 | Very high | 95.2 | Very high | 229 Ų | 229 | 54.8 Ų | 54.8 | 86% | 0.864 | 25% | 0.249 | S | C | * | . | trans | 55.1 | 37.7 | -175.7 | -55.4 | -175.8 | -176.8 | -176.3 | 0.8 | 113.1 | K187 F189 | K187-R191 WeakPolarHBondContact O-CA 3.28Å; K187-R191 PolarHBondContact O-N 2.65Å; K187-R191 VanDerWaalsContact O-N 3.09Å; F189-R191 VanDerWaalsContact C-N 3.35Å | ||
| 192 | R | 91.8 | Very high | 95.2 | Very high | 136 Ų | 136 | 61.3 Ų | 61.3 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | trans | -132.5 | 157.3 | 179.5 | -67.5 | -175.4 | -165.5 | 99.2 | 15.5 | 111.7 | Y186 K187 Y190 P194 E203 | Y186-R192 HydrophobicContact CE1-CB 4.34Å; K187-R192 VanDerWaalsContact CA-O 3.32Å; K187-R192 WeakPolarHBondContact CA-O 3.42Å; Y190-R192 VanDerWaalsContact C-N 3.26Å; Y190-R192 PolarHBondContact O-N 3.07Å; R192-P194 WeakPolarHBondContact O-CD 3.08Å; R192-E203 WeakPolarHBondContact CD-OE2 3.38Å | ||
| 193 | K | 90.8 | Very high | 95 | Very high | 177 Ų | 177 | 65.1 Ų | 65.1 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | trans | -107.7 | 103.4 | 177.6 | -173.6 | 178.8 | -179.8 | 180 | 0 | 109.7 | ||||
| 194 | P | 91.3 | Very high | 95 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.019 | 29% | 0.294 | C | S | . | . | trans | -72.8 | 144.7 | -175.8 | 28.6 | -34.2 | 0 | 0 | 0 | 112.4 | W152 R183 Y186 R192 A200 | W152-P194 HydrophobicContact CH2-CB 4.24Å; W152-P194 HydrophobicContact CH2-CG 3.81Å; W152-P194 HydrophobicContact CZ2-CB 4.46Å; W152-P194 HydrophobicContact CZ2-CG 4.08Å; R183-P194 HydrophobicContact CG-CG 3.89Å; R183-P194 PolarHBondContact NH2-O 3.5Å; Y186-P194 HydrophobicContact CD1-CB 4.17Å; Y186-P194 HydrophobicContact CD1-CG 3.66Å; Y186-P194 HydrophobicContact CE1-CB 3.9Å; Y186-P194 HydrophobicContact CE1-CG 3.9Å; Y186-P194 HydrophobicContact CG-CG 4.34Å; R192-P194 WeakPolarHBondContact O-CD 3.08Å; P194-A200 HydrophobicContact CB-CB 3.64Å; P194-A200 HydrophobicContact CG-CB 4.39Å | ||
| 195 | K | 91.5 | Very high | 95 | Very high | 147 Ų | 147 | 65.5 Ų | 65.5 | 64% | 0.639 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -90.7 | 119.6 | 166.3 | -40.9 | 175.9 | 177.9 | -178.5 | 0 | 107.7 | G199 N690 | K195-G199 WeakPolarHBondContact O-CA 3.4Å; K195-G199 PolarHBondContact O-N 3.49Å; K195-N690 WeakPolarHBondContact CB-OXT 3.3Å |
| 196 | G | 92.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -173.4 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | W152 R689 | W152-G196 WeakPolarHBondContact CZ2-O 3.29Å; G196-R689 WeakPolarHBondContact CA-O 3.08Å; G196-R689 PolarHBondContact N-O 2.93Å |
| 197 | L | 94.2 | Very high | 94.9 | Very high | 5 Ų | 5 | 75.3 Ų | 75.3 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -47.5 | 162 | 174.9 | 63.4 | 0 | 0 | 0 | 110 | W152 G199 A200 L201 F208 D218 N221 T222 L225 | W152-L197 HydrophobicContact CD2-CB 4.16Å; W152-L197 HydrophobicContact CD2-CD1 4.07Å; W152-L197 HydrophobicContact CE3-CD1 3.72Å; W152-L197 HydrophobicContact CG-CB 4.44Å; W152-L197 HydrophobicContact CZ2-CB 4.49Å; W152-L197 HydrophobicContact CZ3-CD1 3.96Å; L197-G199 PolarHBondContact O-N 2.94Å; L197-A200 WeakPolarHBondContact O-CA 3.5Å; L197-A200 VanDerWaalsContact O-CB 3.22Å; L197-A200 WeakPolarHBondContact O-CB 3.27Å; L197-A200 PolarHBondContact O-N 2.95Å; L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.47Å; L197-L201 HydrophobicContact CG-CD1 3.97Å; L197-L201 PolarHBondContact O-N 3.32Å; L197-F208 HydrophobicContact CD2-CE2 4.33Å; L197-D218 HydrophobicContact CD2-CB 4.25Å; L197-D218 WeakPolarHBondContact CD2-O 3.38Å; L197-D218 WeakPolarHBondContact CD2-OD1 3.27Å; L197-N221 HydrophobicContact CD2-CB 4.11Å; L197-T222 WeakPolarHBondContact CD1-OG1 3.33Å; L197-T222 WeakPolarHBondContact CD2-OG1 3.42Å; L197-L225 HydrophobicContact CD1-CD2 3.74Å |
| 198 | S | 94.5 | Very high | 94.9 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -48.3 | -47.7 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | A200 L201 Q202 E212 | S198-A200 VanDerWaalsContact C-N 3.34Å; S198-A200 PolarHBondContact O-N 2.99Å; S198-L201 PolarHBondContact O-N 2.91Å; S198-Q202 PolarHBondContact O-N 2.78Å; S198-E212 WeakPolarHBondContact CB-OE1 3.37Å; S198-E212 PolarHBondContact OG-OE1 3.43Å |
| 199 | G | 94.9 | Very high | 94.9 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -73 | -20.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K195 L197 E203 | K195-G199 WeakPolarHBondContact O-CA 3.4Å; K195-G199 PolarHBondContact O-N 3.49Å; L197-G199 PolarHBondContact O-N 2.94Å; G199-E203 WeakPolarHBondContact O-CB 3.28Å; G199-E203 WeakPolarHBondContact O-CG 3.41Å; G199-E203 PolarHBondContact O-N 3.42Å |
| 200 | A | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.7 | -44.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W152 Y186 P194 L197 S198 E203 V204 L225 | W152-A200 HydrophobicContact CH2-CB 3.69Å; W152-A200 HydrophobicContact CZ2-CB 4.49Å; W152-A200 HydrophobicContact CZ3-CB 4.33Å; Y186-A200 HydrophobicContact CD2-CB 4.15Å; Y186-A200 HydrophobicContact CE2-CB 3.78Å; P194-A200 HydrophobicContact CB-CB 3.64Å; P194-A200 HydrophobicContact CG-CB 4.39Å; L197-A200 WeakPolarHBondContact O-CA 3.5Å; L197-A200 VanDerWaalsContact O-CB 3.22Å; L197-A200 WeakPolarHBondContact O-CB 3.27Å; L197-A200 PolarHBondContact O-N 2.95Å; S198-A200 VanDerWaalsContact C-N 3.34Å; S198-A200 PolarHBondContact O-N 2.99Å; A200-E203 PolarHBondContact O-N 3Å; A200-V204 PolarHBondContact O-N 3.13Å; A200-L225 HydrophobicContact CB-CD2 3.78Å |
| 201 | L | 97 | Very high | 94.9 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.2 | -50 | 173.5 | -64.7 | 160.3 | 0 | 0 | 0 | 110.5 | L197 S198 E203 V204 G205 I206 F208 N221 L225 | L197-L201 HydrophobicContact CD1-CD1 4.38Å; L197-L201 HydrophobicContact CD1-CG 4.47Å; L197-L201 HydrophobicContact CG-CD1 3.97Å; L197-L201 PolarHBondContact O-N 3.32Å; S198-L201 PolarHBondContact O-N 2.91Å; L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 3.05Å; L201-V204 WeakPolarHBondContact O-CG2 3.24Å; L201-V204 PolarHBondContact O-N 2.91Å; L201-G205 PolarHBondContact O-N 3.26Å; L201-I206 CarbonylContact C-O 3.5Å; L201-I206 HydrophobicContact CB-CB 4.11Å; L201-I206 HydrophobicContact CB-CG2 4.36Å; L201-I206 HydrophobicContact CD2-CB 3.98Å; L201-I206 HydrophobicContact CD2-CD1 4.19Å; L201-I206 HydrophobicContact CD2-CG2 3.76Å; L201-I206 PolarHBondContact O-N 3.06Å; L201-F208 HydrophobicContact CD1-CD2 3.75Å; L201-F208 HydrophobicContact CD1-CE2 4.41Å; L201-N221 HydrophobicContact CD1-CB 3.91Å; L201-L225 HydrophobicContact CD2-CB 3.87Å; L201-L225 HydrophobicContact CD2-CD1 4.45Å |
| 202 | Q | 96.1 | Very high | 94.8 | Very high | 144 Ų | 144 | 64.5 Ų | 64.5 | 67% | 0.673 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.3 | -31.1 | 178.4 | -168.1 | -176.4 | 102.4 | 0 | 0 | 113.3 | S198 I206 | S198-Q202 PolarHBondContact O-N 2.78Å; Q202-I206 PolarHBondContact N-O 2.97Å |
| 203 | E | 95.1 | Very high | 94.9 | Very high | 80 Ų | 80 | 58.7 Ų | 58.7 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.5 | -38.3 | 175.7 | -89.2 | -169 | 178.6 | 0 | 0 | 113.2 | Y186 R192 G199 A200 L201 | Y186-E203 WeakPolarHBondContact OH-CB 3.47Å; Y186-E203 PolarHBondContact OH-OE2 3.38Å; R192-E203 WeakPolarHBondContact CD-OE2 3.38Å; G199-E203 WeakPolarHBondContact O-CB 3.28Å; G199-E203 WeakPolarHBondContact O-CG 3.41Å; G199-E203 PolarHBondContact O-N 3.42Å; A200-E203 PolarHBondContact O-N 3Å; L201-E203 VanDerWaalsContact C-N 3.28Å; L201-E203 PolarHBondContact O-N 3.05Å |
| 204 | V | 95.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -77 | -32.3 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | R15 Y186 Y190 A200 L201 I206 L225 K228 | R15-V204 PolarHBondContact NH2-O 3.04Å; Y186-V204 HydrophobicContact CE2-CG1 4.03Å; Y190-V204 HydrophobicContact CD2-CG1 4.47Å; Y190-V204 HydrophobicContact CE1-CG1 4.34Å; Y190-V204 HydrophobicContact CE2-CG1 3.65Å; Y190-V204 WeakPolarHBondContact OH-CG1 3.27Å; A200-V204 PolarHBondContact O-N 3.13Å; L201-V204 WeakPolarHBondContact O-CG2 3.24Å; L201-V204 PolarHBondContact O-N 2.91Å; V204-I206 HydrophobicContact CG2-CB 4.37Å; V204-I206 HydrophobicContact CG2-CD1 3.9Å; V204-I206 HydrophobicContact CG2-CG1 4.02Å; V204-L225 HydrophobicContact CG1-CD1 4.25Å; V204-L225 HydrophobicContact CG2-CD1 3.93Å; V204-K228 HydrophobicContact CB-CG 4.05Å; V204-K228 HydrophobicContact CG1-CG 4.49Å; V204-K228 HydrophobicContact CG2-CG 3.94Å |
| 205 | G | 96.2 | Very high | 95.5 | Very high | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.2 | 33.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L201 | L201-G205 PolarHBondContact O-N 3.26Š|
| 206 | I | 96.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 44.5 Ų | 44.5 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | trans | -106.6 | 143.3 | 170.9 | -63.2 | 168.5 | 0 | 0 | 0 | 107.7 | L201 Q202 V204 K228 | L201-I206 CarbonylContact C-O 3.5Å; L201-I206 HydrophobicContact CB-CB 4.11Å; L201-I206 HydrophobicContact CB-CG2 4.36Å; L201-I206 HydrophobicContact CD2-CB 3.98Å; L201-I206 HydrophobicContact CD2-CD1 4.19Å; L201-I206 HydrophobicContact CD2-CG2 3.76Å; L201-I206 PolarHBondContact O-N 3.06Å; Q202-I206 PolarHBondContact N-O 2.97Å; V204-I206 HydrophobicContact CG2-CB 4.37Å; V204-I206 HydrophobicContact CG2-CD1 3.9Å; V204-I206 HydrophobicContact CG2-CG1 4.02Å; I206-K228 HydrophobicContact CD1-CB 3.77Å; I206-K228 HydrophobicContact CD1-CG 3.9Å | ||
| 207 | E | 96.6 | Very high | 96.1 | Very high | 175 Ų | 175 | 45.8 Ų | 45.8 | 82% | 0.818 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -95.7 | 145.3 | 171.3 | -174.3 | 152.9 | -140.4 | 0 | 0 | 109.2 | S209 | E207-S209 PolarHBondContact O-N 2.96Š|
| 208 | F | 97.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 45.8 Ų | 45.8 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 128.6 | -179.1 | -167.7 | -78.6 | 0 | 0 | 0 | 109.8 | L197 L201 R211 E212 D217 D218 N221 | L197-F208 HydrophobicContact CD2-CE2 4.33Å; L201-F208 HydrophobicContact CD1-CD2 3.75Å; L201-F208 HydrophobicContact CD1-CE2 4.41Å; F208-R211 VanDerWaalsContact CE1-C 3.43Å; F208-E212 HydrophobicContact CD1-CG 3.98Å; F208-E212 HydrophobicContact CD2-CG 4.03Å; F208-E212 HydrophobicContact CE1-CG 3.98Å; F208-E212 HydrophobicContact CE2-CG 4.01Å; F208-E212 HydrophobicContact CG-CG 4.03Å; F208-E212 HydrophobicContact CZ-CB 4.41Å; F208-E212 HydrophobicContact CZ-CG 3.99Å; F208-D217 HydrophobicContact CE1-CB 4.5Å; F208-D218 WeakPolarHBondContact CE2-OD1 3.08Å; F208-D218 VanDerWaalsContact CZ-OD1 3.28Å; F208-D218 WeakPolarHBondContact CZ-OD1 3.35Å; F208-N221 HydrophobicContact CD2-CB 4.25Å; F208-N221 HydrophobicContact CE2-CB 3.9Å; F208-N221 HydrophobicContact CZ-CB 4.34Å; F208-N221 WeakPolarHBondContact CZ-ND2 3.36Å |
| 209 | S | 97.1 | Very high | 96.5 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 53% | 0.531 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -101.3 | 131.5 | 177.6 | -177 | 0 | 0 | 0 | 0 | 110.8 | E207 N221 | E207-S209 PolarHBondContact O-N 2.96Å; S209-N221 PolarHBondContact N-OD1 2.76Å; S209-N221 PolarHBondContact O-ND2 2.95Å |
| 210 | G | 96.4 | Very high | 96.7 | Very high | 57 Ų | 57 | 47.4 Ų | 47.4 | 59% | 0.588 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 82 | -148.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D217 | G210-D217 VanDerWaalsContact CA-OD2 3.23Å; G210-D217 WeakPolarHBondContact CA-OD2 3.43Å |
| 211 | R | 95.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | trans | -102.7 | 123 | -173.7 | -164.2 | -162.4 | -172.8 | -75.9 | 6.8 | 112 | E95 L96 T97 G98 F208 H213 S214 D217 | E95-R211 PolarHBondContact O-NH2 3.47Å; L96-R211 PolarHBondContact O-NH1 2.95Å; T97-R211 VanDerWaalsContact C-CZ 3.44Å; T97-R211 VanDerWaalsContact C-NH1 3.32Å; T97-R211 PolarHBondContact O-NH1 3.37Å; G98-R211 VanDerWaalsContact N-NH2 3.2Å; F208-R211 VanDerWaalsContact CE1-C 3.43Å; R211-H213 PolarHBondContact O-N 3.34Å; R211-S214 PolarHBondContact O-N 2.89Å; R211-D217 PolarHBondContact N-OD2 3.14Å | ||
| 212 | E | 93.9 | Very high | 96.9 | Very high | 55 Ų | 55 | 47.4 Ų | 47.4 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.6 | 167.4 | -65.7 | -170.1 | 178.7 | 0 | 0 | 108.9 | S198 F208 S214 N690 | S198-E212 WeakPolarHBondContact CB-OE1 3.37Å; S198-E212 PolarHBondContact OG-OE1 3.43Å; F208-E212 HydrophobicContact CD1-CG 3.98Å; F208-E212 HydrophobicContact CD2-CG 4.03Å; F208-E212 HydrophobicContact CE1-CG 3.98Å; F208-E212 HydrophobicContact CE2-CG 4.01Å; F208-E212 HydrophobicContact CG-CG 4.03Å; F208-E212 HydrophobicContact CZ-CB 4.41Å; F208-E212 HydrophobicContact CZ-CG 3.99Å; E212-S214 VanDerWaalsContact C-N 3.29Å; E212-S214 PolarHBondContact O-N 3.08Å; E212-N690 PolarHBondContact OE2-ND2 3.13Å |
| 213 | H | 93.8 | Very high | 97 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 20.1 | -177.7 | -43 | -32.2 | 0 | 0 | 0 | 115.9 | E43 L96 T97 R211 D218 | E43-H213 WeakPolarHBondContact CG-O 3.37Å; L96-H213 VanDerWaalsContact CD1-CD2 3.48Å; L96-H213 WeakPolarHBondContact CD1-CD2 3.31Å; L96-H213 WeakPolarHBondContact O-CB 3.23Å; T97-H213 VanDerWaalsContact CA-O 3.22Å; T97-H213 WeakPolarHBondContact CA-O 3.22Å; T97-H213 VanDerWaalsContact O-O 3.13Å; R211-H213 PolarHBondContact O-N 3.34Å; H213-D218 WeakPolarHBondContact CA-OD2 3.39Å; H213-D218 PolarHBondContact N-OD2 2.99Å; H213-D218 IonicContact ND1-OD2 3.54Å |
| 214 | S | 97.1 | Very high | 97.1 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | trans | -89.9 | 123.9 | 145.4 | 175.9 | 0 | 0 | 0 | 0 | 107.5 | R211 E212 L216 D217 D218 | R211-S214 PolarHBondContact O-N 2.89Å; E212-S214 VanDerWaalsContact C-N 3.29Å; E212-S214 PolarHBondContact O-N 3.08Å; S214-L216 VanDerWaalsContact C-N 3.29Å; S214-L216 PolarHBondContact O-N 3.25Å; S214-D217 PolarHBondContact O-N 3.23Å; S214-D217 VanDerWaalsContact O-N 3.13Å; S214-D218 PolarHBondContact O-N 2.75Å | ||
| 215 | G | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -34.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D41 E60 P62 S219 | D41-G215 WeakPolarHBondContact O-CA 3.16Å; E60-G215 PolarHBondContact OE1-N 3.44Å; E60-G215 PolarHBondContact OE2-N 2.65Å; P62-G215 WeakPolarHBondContact CG-O 3.31Å; G215-S219 WeakPolarHBondContact O-CB 3.39Å; G215-S219 PolarHBondContact O-N 3.15Å; G215-S219 PolarHBondContact O-OG 2.78Å |
| 216 | L | 98.3 | Very high | 97.4 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.058 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 175 | -177.6 | 60.2 | 0 | 0 | 0 | 112.2 | E60 P62 V64 E76 Q78 S214 S219 R220 | E60-L216 PolarHBondContact OE1-N 3.21Å; P62-L216 HydrophobicContact CB-CB 3.95Å; P62-L216 HydrophobicContact CB-CD1 4.2Å; V64-L216 HydrophobicContact CG1-CD1 3.68Å; E76-L216 HydrophobicContact CB-CD1 4.47Å; Q78-L216 HydrophobicContact CB-CD2 4.21Å; Q78-L216 HydrophobicContact CG-CB 4.37Å; Q78-L216 HydrophobicContact CG-CD2 4.33Å; S214-L216 VanDerWaalsContact C-N 3.29Å; S214-L216 PolarHBondContact O-N 3.25Å; L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 2.89Å; L216-R220 VanDerWaalsContact O-CG 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.44Å; L216-R220 PolarHBondContact O-N 2.88Å |
| 217 | D | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 37.6 Ų | 37.6 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.4 | -42 | 176.9 | -76.6 | -17.2 | 0 | 0 | 0 | 111.6 | F208 G210 R211 S214 S219 R220 N221 | F208-D217 HydrophobicContact CE1-CB 4.5Å; G210-D217 VanDerWaalsContact CA-OD2 3.23Å; G210-D217 WeakPolarHBondContact CA-OD2 3.43Å; R211-D217 PolarHBondContact N-OD2 3.14Å; S214-D217 PolarHBondContact O-N 3.23Å; S214-D217 VanDerWaalsContact O-N 3.13Å; D217-S219 VanDerWaalsContact C-N 3.26Å; D217-S219 PolarHBondContact O-N 2.92Å; D217-R220 PolarHBondContact O-N 2.82Å; D217-R220 IonicContact OD1-CZ 2.65Å; D217-R220 IonicContact OD1-NH1 3.62Å; D217-R220 PolarHBondContact OD1-NH1 2.98Å; D217-N221 WeakPolarHBondContact O-CB 3.49Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 2.77Å |
| 218 | D | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.9 | -35 | 171.9 | -88.6 | -38.3 | 0 | 0 | 0 | 111.5 | D41 L197 F208 H213 S214 T222 | D41-D218 HydrophobicContact CB-CB 4.22Å; L197-D218 HydrophobicContact CD2-CB 4.25Å; L197-D218 WeakPolarHBondContact CD2-O 3.38Å; L197-D218 WeakPolarHBondContact CD2-OD1 3.27Å; F208-D218 WeakPolarHBondContact CE2-OD1 3.08Å; F208-D218 VanDerWaalsContact CZ-OD1 3.28Å; F208-D218 WeakPolarHBondContact CZ-OD1 3.35Å; H213-D218 WeakPolarHBondContact CA-OD2 3.39Å; H213-D218 PolarHBondContact N-OD2 2.99Å; H213-D218 IonicContact ND1-OD2 3.54Å; S214-D218 PolarHBondContact O-N 2.75Å; D218-T222 WeakPolarHBondContact O-CB 3.25Å; D218-T222 PolarHBondContact O-N 2.94Å; D218-T222 PolarHBondContact O-OG1 3.18Å |
| 219 | S | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.1 | -46.5 | 172.8 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | D41 G215 L216 D217 T222 A223 | D41-S219 PolarHBondContact N-OG 2.73Å; D41-S219 VanDerWaalsContact N-OG 3.11Å; G215-S219 WeakPolarHBondContact O-CB 3.39Å; G215-S219 PolarHBondContact O-N 3.15Å; G215-S219 PolarHBondContact O-OG 2.78Å; L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 2.89Å; D217-S219 VanDerWaalsContact C-N 3.26Å; D217-S219 PolarHBondContact O-N 2.92Å; S219-T222 PolarHBondContact O-N 2.87Å; S219-A223 PolarHBondContact O-N 2.89Å |
| 220 | R | 98.8 | Very high | 97.6 | Very high | 79 Ų | 79 | 27.1 Ų | 27.1 | 30% | 0.298 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 174.4 | -72.4 | 164.5 | 173.9 | 157.9 | -2.9 | 111.8 | V64 I73 E76 L216 D217 T222 A223 L224 | V64-R220 HydrophobicContact CG1-CG 4.07Å; I73-R220 HydrophobicContact CD1-CB 4.24Å; I73-R220 HydrophobicContact CD1-CG 3.98Å; E76-R220 WeakPolarHBondContact OE1-CG 3.4Å; E76-R220 IonicContact OE1-CZ 3.56Å; E76-R220 IonicContact OE1-NE 3.54Å; E76-R220 PolarHBondContact OE1-NE 3.29Å; E76-R220 IonicContact OE1-NH2 2.72Å; E76-R220 IonicContact OE2-CZ 3.85Å; E76-R220 IonicContact OE2-NE 2.8Å; E76-R220 IonicContact OE2-NH2 2.81Å; E76-R220 PolarHBondContact OE2-NH2 2.7Å; L216-R220 VanDerWaalsContact O-CG 3.28Å; L216-R220 WeakPolarHBondContact O-CG 3.44Å; L216-R220 PolarHBondContact O-N 2.88Å; D217-R220 PolarHBondContact O-N 2.82Å; D217-R220 IonicContact OD1-CZ 2.65Å; D217-R220 IonicContact OD1-NH1 3.62Å; D217-R220 PolarHBondContact OD1-NH1 2.98Å; R220-T222 PolarHBondContact O-N 3Å; R220-A223 WeakPolarHBondContact O-CB 3.24Å; R220-A223 PolarHBondContact O-N 3.24Å; R220-L224 WeakPolarHBondContact O-CG 3.49Å; R220-L224 PolarHBondContact O-N 2.7Å |
| 221 | N | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 178.4 | -77.9 | -83.2 | 0 | 0 | 0 | 111.7 | L197 L201 F208 S209 D217 A223 L224 L225 | L197-N221 HydrophobicContact CD2-CB 4.11Å; L201-N221 HydrophobicContact CD1-CB 3.91Å; F208-N221 HydrophobicContact CD2-CB 4.25Å; F208-N221 HydrophobicContact CE2-CB 3.9Å; F208-N221 HydrophobicContact CZ-CB 4.34Å; F208-N221 WeakPolarHBondContact CZ-ND2 3.36Å; S209-N221 PolarHBondContact N-OD1 2.76Å; S209-N221 PolarHBondContact O-ND2 2.95Å; D217-N221 WeakPolarHBondContact O-CB 3.49Å; D217-N221 PolarHBondContact O-N 3.2Å; D217-N221 PolarHBondContact O-ND2 2.77Å; N221-A223 VanDerWaalsContact C-N 3.35Å; N221-L224 PolarHBondContact O-N 3.41Å; N221-L225 PolarHBondContact O-N 2.79Å |
| 222 | T | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 173 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | V39 L182 L197 D218 S219 R220 L225 A226 | V39-T222 HydrophobicContact CG1-CG2 3.36Å; L182-T222 HydrophobicContact CB-CG2 4.49Å; L182-T222 HydrophobicContact CD2-CG2 3.56Å; L182-T222 WeakPolarHBondContact CD2-O 3.3Å; L197-T222 WeakPolarHBondContact CD1-OG1 3.33Å; L197-T222 WeakPolarHBondContact CD2-OG1 3.42Å; D218-T222 WeakPolarHBondContact O-CB 3.25Å; D218-T222 PolarHBondContact O-N 2.94Å; D218-T222 PolarHBondContact O-OG1 3.18Å; S219-T222 PolarHBondContact O-N 2.87Å; R220-T222 PolarHBondContact O-N 3Å; T222-L225 PolarHBondContact O-N 2.97Å; T222-A226 WeakPolarHBondContact O-CB 3.2Å; T222-A226 PolarHBondContact O-N 3.15Å |
| 223 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V39 V64 L66 I73 S219 R220 N221 L225 A226 W227 | V39-A223 HydrophobicContact CB-CB 4.38Å; V39-A223 HydrophobicContact CG2-CB 3.81Å; V64-A223 HydrophobicContact CG2-CB 3.89Å; L66-A223 HydrophobicContact CB-CB 4.26Å; L66-A223 HydrophobicContact CD1-CB 4.49Å; L66-A223 HydrophobicContact CD2-CB 4.16Å; L66-A223 WeakPolarHBondContact CD2-O 3.44Å; I73-A223 HydrophobicContact CD1-CB 4.3Å; S219-A223 PolarHBondContact O-N 2.89Å; R220-A223 WeakPolarHBondContact O-CB 3.24Å; R220-A223 PolarHBondContact O-N 3.24Å; N221-A223 VanDerWaalsContact C-N 3.35Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.49Å; A223-A226 PolarHBondContact O-N 3.06Å; A223-A226 VanDerWaalsContact O-N 3.17Å; A223-W227 PolarHBondContact O-N 2.9Å |
| 224 | L | 98.3 | Very high | 97.8 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 34% | 0.34 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 174.6 | -69.2 | 174.6 | 0 | 0 | 0 | 112 | R220 N221 K228 | R220-L224 WeakPolarHBondContact O-CG 3.49Å; R220-L224 PolarHBondContact O-N 2.7Å; N221-L224 PolarHBondContact O-N 3.41Å; L224-K228 VanDerWaalsContact O-CB 3.26Å; L224-K228 WeakPolarHBondContact O-CB 3.49Å; L224-K228 PolarHBondContact O-N 3.46Å |
| 225 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 174.4 | -176.3 | 57.9 | 0 | 0 | 0 | 112.2 | W152 L182 Y186 L197 A200 L201 V204 N221 T222 A223 K228 M229 | W152-L225 HydrophobicContact CE3-CD2 4.47Å; W152-L225 HydrophobicContact CH2-CD2 4.4Å; W152-L225 HydrophobicContact CZ3-CD2 3.71Å; L182-L225 HydrophobicContact CD2-CB 4.13Å; L182-L225 HydrophobicContact CD2-CD2 4.13Å; L182-L225 HydrophobicContact CD2-CG 4.09Å; Y186-L225 HydrophobicContact CD2-CD1 4.22Å; Y186-L225 HydrophobicContact CD2-CD2 4.31Å; Y186-L225 HydrophobicContact CE2-CD1 4.2Å; L197-L225 HydrophobicContact CD1-CD2 3.74Å; A200-L225 HydrophobicContact CB-CD2 3.78Å; L201-L225 HydrophobicContact CD2-CB 3.87Å; L201-L225 HydrophobicContact CD2-CD1 4.45Å; V204-L225 HydrophobicContact CG1-CD1 4.25Å; V204-L225 HydrophobicContact CG2-CD1 3.93Å; N221-L225 PolarHBondContact O-N 2.79Å; T222-L225 PolarHBondContact O-N 2.97Å; A223-L225 VanDerWaalsContact C-N 3.3Å; A223-L225 PolarHBondContact O-N 3.49Å; L225-K228 PolarHBondContact O-N 2.89Å; L225-M229 HydrophobicContact CG-SD 4.25Å; L225-M229 WeakPolarHBondContact O-CG 3.39Å; L225-M229 PolarHBondContact O-N 2.71Å |
| 226 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.1 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L37 L66 L182 T222 A223 K228 M229 I230 M236 | L37-A226 HydrophobicContact CD1-CB 4.46Å; L66-A226 HydrophobicContact CD2-CB 4.19Å; L182-A226 HydrophobicContact CD1-CB 3.9Å; L182-A226 HydrophobicContact CD2-CB 4.01Å; T222-A226 WeakPolarHBondContact O-CB 3.2Å; T222-A226 PolarHBondContact O-N 3.15Å; A223-A226 PolarHBondContact O-N 3.06Å; A223-A226 VanDerWaalsContact O-N 3.17Å; A226-K228 PolarHBondContact O-N 3.37Å; A226-M229 WeakPolarHBondContact O-CB 3.48Å; A226-M229 PolarHBondContact O-N 3.03Å; A226-I230 WeakPolarHBondContact O-CG1 3.44Å; A226-I230 PolarHBondContact O-N 2.81Å; A226-M236 HydrophobicContact CB-CE 4.01Å; A226-M236 WeakPolarHBondContact O-CE 3.36Å |
| 227 | W | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 36.6 Ų | 36.6 | 25% | 0.254 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 174.4 | 176.8 | 76.7 | 0 | 0 | 0 | 112.9 | L66 T70 A223 M229 I230 R231 | L66-W227 HydrophobicContact CD1-CB 4.41Å; L66-W227 HydrophobicContact CD2-CB 4.26Å; T70-W227 PolarHBondContact O-NE1 2.96Å; A223-W227 PolarHBondContact O-N 2.9Å; W227-M229 VanDerWaalsContact C-N 3.33Å; W227-M229 PolarHBondContact O-N 2.71Å; W227-I230 WeakPolarHBondContact O-CB 3.12Å; W227-I230 PolarHBondContact O-N 3.02Å; W227-R231 HydrophobicContact CD2-CG 4.24Å; W227-R231 HydrophobicContact CZ2-CG 4.42Å; W227-R231 VanDerWaalsContact CZ3-NH1 3.35Å; W227-R231 PolarHBondContact O-N 3.4Å |
| 228 | K | 97.9 | Very high | 97.3 | Very high | 49 Ų | 49 | 38 Ų | 38 | 21% | 0.213 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.4 | 173.5 | 55.9 | -175.1 | 157.7 | 0 | 111.9 | V204 I206 L224 L225 A226 R231 D232 | V204-K228 HydrophobicContact CB-CG 4.05Å; V204-K228 HydrophobicContact CG1-CG 4.49Å; V204-K228 HydrophobicContact CG2-CG 3.94Å; I206-K228 HydrophobicContact CD1-CB 3.77Å; I206-K228 HydrophobicContact CD1-CG 3.9Å; L224-K228 VanDerWaalsContact O-CB 3.26Å; L224-K228 WeakPolarHBondContact O-CB 3.49Å; L224-K228 PolarHBondContact O-N 3.46Å; L225-K228 PolarHBondContact O-N 2.89Å; A226-K228 PolarHBondContact O-N 3.37Å; K228-R231 PolarHBondContact O-N 3.03Å; K228-D232 WeakPolarHBondContact CE-OD2 3.43Å; K228-D232 IonicContact NZ-OD1 2.66Å; K228-D232 PolarHBondContact NZ-OD1 3.29Å; K228-D232 IonicContact NZ-OD2 3.04Å; K228-D232 PolarHBondContact NZ-OD2 2.81Å; K228-D232 PolarHBondContact O-N 3.35Å |
| 229 | M | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 172.9 | -77.2 | 170 | 53.6 | 0 | 0 | 111.8 | L182 T185 Y186 Y190 L225 A226 W227 R231 D232 G233 C234 M236 | L182-M229 HydrophobicContact CD1-CE 3.85Å; L182-M229 HydrophobicContact CD1-SD 3.87Å; L182-M229 HydrophobicContact CG-SD 4.22Å; T185-M229 HydrophobicContact CG2-CE 3.59Å; Y186-M229 HydrophobicContact CD2-SD 3.97Å; Y186-M229 HydrophobicContact CG-SD 4.48Å; Y190-M229 HydrophobicContact CE2-CG 3.53Å; Y190-M229 HydrophobicContact CE2-SD 4.23Å; L225-M229 HydrophobicContact CG-SD 4.25Å; L225-M229 WeakPolarHBondContact O-CG 3.39Å; L225-M229 PolarHBondContact O-N 2.71Å; A226-M229 WeakPolarHBondContact O-CB 3.48Å; A226-M229 PolarHBondContact O-N 3.03Å; W227-M229 VanDerWaalsContact C-N 3.33Å; W227-M229 PolarHBondContact O-N 2.71Å; M229-R231 PolarHBondContact O-N 3.11Å; M229-D232 PolarHBondContact O-N 2.89Å; M229-G233 PolarHBondContact O-N 3.28Å; M229-C234 HydrophobicContact CB-CB 3.91Å; M229-C234 WeakPolarHBondContact O-CB 3.1Å; M229-C234 PolarHBondContact O-N 2.83Å; M229-M236 HydrophobicContact CB-CE 3.8Å; M229-M236 HydrophobicContact CE-CE 4.13Å |
| 230 | I | 97.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 174.1 | -72.3 | 163.2 | 0 | 0 | 0 | 110.9 | Q32 L37 T68 A226 W227 D232 G233 M236 | Q32-I230 HydrophobicContact CG-CD1 4.27Å; Q32-I230 HydrophobicContact CG-CG1 4.15Å; Q32-I230 HydrophobicContact CG-CG2 3.85Å; L37-I230 HydrophobicContact CD1-CD1 4.1Å; T68-I230 HydrophobicContact CG2-CD1 3.96Å; A226-I230 WeakPolarHBondContact O-CG1 3.44Å; A226-I230 PolarHBondContact O-N 2.81Å; W227-I230 WeakPolarHBondContact O-CB 3.12Å; W227-I230 PolarHBondContact O-N 3.02Å; I230-D232 VanDerWaalsContact C-N 3.31Å; I230-D232 PolarHBondContact O-N 3.29Å; I230-G233 PolarHBondContact O-N 2.82Å; I230-M236 HydrophobicContact CD1-CE 4.26Å; I230-M236 HydrophobicContact CD1-CG 4.03Å; I230-M236 HydrophobicContact CG1-CE 3.86Å; I230-M236 HydrophobicContact CG1-CG 3.9Å |
| 231 | R | 96.3 | Very high | 96.5 | Very high | 157 Ų | 157 | 43.3 Ų | 43.3 | 59% | 0.592 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64 | -30.8 | 178.3 | -78 | -174.5 | 61.2 | -169.3 | 5 | 114.4 | W227 K228 M229 G233 | W227-R231 HydrophobicContact CD2-CG 4.24Å; W227-R231 HydrophobicContact CZ2-CG 4.42Å; W227-R231 VanDerWaalsContact CZ3-NH1 3.35Å; W227-R231 PolarHBondContact O-N 3.4Å; K228-R231 PolarHBondContact O-N 3.03Å; M229-R231 PolarHBondContact O-N 3.11Å; R231-G233 VanDerWaalsContact C-N 3.26Å |
| 232 | D | 96.4 | Very high | 95.9 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -78.7 | -10.9 | 175.9 | -74.6 | -6.8 | 0 | 0 | 0 | 112.7 | F189 Y190 K228 M229 I230 | F189-D232 HydrophobicContact CE1-CB 3.85Å; F189-D232 HydrophobicContact CZ-CB 4.03Å; Y190-D232 PolarHBondContact OH-OD2 3.16Å; K228-D232 WeakPolarHBondContact CE-OD2 3.43Å; K228-D232 IonicContact NZ-OD1 2.66Å; K228-D232 PolarHBondContact NZ-OD1 3.29Å; K228-D232 IonicContact NZ-OD2 3.04Å; K228-D232 PolarHBondContact NZ-OD2 2.81Å; K228-D232 PolarHBondContact O-N 3.35Å; M229-D232 PolarHBondContact O-N 2.89Å; I230-D232 VanDerWaalsContact C-N 3.31Å; I230-D232 PolarHBondContact O-N 3.29Å |
| 233 | G | 95.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 36% | 0.361 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 111.8 | 16.5 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | M229 I230 R231 | M229-G233 PolarHBondContact O-N 3.28Å; I230-G233 PolarHBondContact O-N 2.82Å; R231-G233 VanDerWaalsContact C-N 3.26Å |
| 234 | C | 96.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 58 Ų | 58 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 128.9 | 174.3 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | Q32 F189 M229 | Q32-C234 PolarHBondContact NE2-O 2.95Å; F189-C234 HydrophobicContact CD1-CB 3.95Å; F189-C234 HydrophobicContact CD2-CB 3.68Å; F189-C234 HydrophobicContact CE1-CB 3.99Å; F189-C234 HydrophobicContact CE2-CB 3.74Å; F189-C234 HydrophobicContact CG-CB 3.8Å; F189-C234 HydrophobicContact CZ-CB 3.89Å; M229-C234 HydrophobicContact CB-CB 3.91Å; M229-C234 WeakPolarHBondContact O-CB 3.1Å; M229-C234 PolarHBondContact O-N 2.83Å |
| 235 | V | 95.1 | Very high | 90 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 120.2 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 236 | M | 95.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 137.1 | 179.8 | -65.9 | -60.1 | 179.7 | 0 | 0 | 111 | F34 L37 I180 L182 T185 A226 M229 I230 | F34-M236 HydrophobicContact CD2-CB 4.27Å; L37-M236 HydrophobicContact CD1-CG 4.19Å; I180-M236 HydrophobicContact CD1-CB 3.9Å; L182-M236 HydrophobicContact CD1-CE 3.81Å; L182-M236 HydrophobicContact CD1-SD 4.23Å; T185-M236 HydrophobicContact CG2-SD 4.11Å; A226-M236 HydrophobicContact CB-CE 4.01Å; A226-M236 WeakPolarHBondContact O-CE 3.36Å; M229-M236 HydrophobicContact CB-CE 3.8Å; M229-M236 HydrophobicContact CE-CE 4.13Å; I230-M236 HydrophobicContact CD1-CE 4.26Å; I230-M236 HydrophobicContact CD1-CG 4.03Å; I230-M236 HydrophobicContact CG1-CE 3.86Å; I230-M236 HydrophobicContact CG1-CG 3.9Å |
| 237 | K | 94.6 | Very high | 83.9 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 59% | 0.591 | 38% | 0.376 | S | S | * | . | trans | -147 | 143.8 | -177 | -62.5 | -169.9 | 179 | -167.2 | 0 | 110.2 | I180 T239 | I180-K237 WeakPolarHBondContact CG1-O 3.48Å; K237-T239 PolarHBondContact O-N 3.31Å | ||
| 238 | I | 94.9 | Very high | 81 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 30% | 0.303 | 40% | 0.401 | S | S | . | . | trans | -56.2 | 122 | 171.9 | -58.1 | -57.7 | 0 | 0 | 0 | 109.7 | F34 A148 I180 R240 | F34-I238 HydrophobicContact CZ-CD1 4.12Å; F34-I238 HydrophobicContact CZ-CG1 4.05Å; A148-I238 HydrophobicContact CB-CD1 3.61Å; I180-I238 HydrophobicContact CG1-CD1 4.18Å; I238-R240 WeakPolarHBondContact CG2-O 3.26Å | ||
| 239 | T | 94.8 | Very high | 78.2 | Confident | 50 Ų | 50 | 82 Ų | 82 | 31% | 0.307 | 43% | 0.426 | S | S | . | . | trans | -102.5 | -19.7 | 178.7 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | W179 I180 D181 K237 | W179-T239 PolarHBondContact O-N 3.14Å; W179-T239 PolarHBondContact O-OG1 3.24Å; I180-T239 HydrophobicContact CG2-CG2 4.37Å; D181-T239 PolarHBondContact N-OG1 3.39Å; K237-T239 PolarHBondContact O-N 3.31Å | ||
| 240 | R | 92.9 | Very high | 75.1 | Confident | 110 Ų | 110 | 87.6 Ų | 87.6 | 42% | 0.415 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142 | -178.8 | -63.1 | -58 | 178.7 | -150 | 10.3 | 111.4 | D154 S178 W179 I238 | D154-R240 WeakPolarHBondContact OD1-CD 3.41Å; D154-R240 WeakPolarHBondContact OD1-CG 3.32Å; D154-R240 IonicContact OD1-CZ 3.48Å; D154-R240 IonicContact OD1-NE 3.39Å; D154-R240 PolarHBondContact OD1-NE 3.26Å; D154-R240 IonicContact OD1-NH2 2.72Å; D154-R240 IonicContact OD2-CZ 2.86Å; D154-R240 IonicContact OD2-NE 2.69Å; D154-R240 PolarHBondContact OD2-NE 3.22Å; D154-R240 IonicContact OD2-NH2 2.64Å; D154-R240 PolarHBondContact OD2-NH2 2.84Å; S178-R240 VanDerWaalsContact CA-O 3.29Å; S178-R240 WeakPolarHBondContact CA-O 3.4Å; W179-R240 HydrophobicContact CD2-CB 3.76Å; W179-R240 HydrophobicContact CD2-CG 4.41Å; W179-R240 VanDerWaalsContact CE2-CB 3.49Å; W179-R240 HydrophobicContact CE3-CB 4.15Å; W179-R240 HydrophobicContact CG-CB 4.3Å; W179-R240 HydrophobicContact CH2-CB 4.03Å; W179-R240 HydrophobicContact CZ2-CB 3.64Å; W179-R240 HydrophobicContact CZ2-CG 3.78Å; W179-R240 HydrophobicContact CZ3-CB 4.28Å; W179-R240 PolarHBondContact N-O 2.92Å; W179-R240 PolarHBondContact O-N 2.96Å; I238-R240 WeakPolarHBondContact CG2-O 3.26Å |
| 241 | S | 92.4 | Very high | 72.1 | Confident | 35 Ų | 35 | 91.3 Ų | 91.3 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 125.9 | 167.1 | -171.8 | 0 | 0 | 0 | 0 | 109.1 | N177 S178 | N177-S241 CarbonylContact O-C 3.55Å; N177-S241 VanDerWaalsContact O-CA 3.24Å; N177-S241 WeakPolarHBondContact O-CA 3.21Å; S178-S241 WeakPolarHBondContact OG-CB 3.46Å; S178-S241 PolarHBondContact OG-OG 2.85Å |
| 242 | L | 85.6 | Confident | 69.4 | Low | 75 Ų | 75 | 90.2 Ų | 90.2 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -82.9 | -21.1 | 178 | -62.7 | 169.4 | 0 | 0 | 0 | 112.3 | E162 N177 W179 K244 | E162-L242 WeakPolarHBondContact OE2-CD1 3.38Å; N177-L242 HydrophobicContact CB-CB 4.11Å; N177-L242 HydrophobicContact CB-CD1 4.5Å; N177-L242 PolarHBondContact O-N 3.25Å; W179-L242 HydrophobicContact CH2-CD1 4.04Å; W179-L242 HydrophobicContact CH2-CD2 4.27Å; W179-L242 HydrophobicContact CH2-CG 3.99Å; W179-L242 HydrophobicContact CZ3-CD1 3.86Å; W179-L242 HydrophobicContact CZ3-CG 3.88Å; L242-K244 PolarHBondContact O-N 3.39Å |
| 243 | N | 72.4 | Confident | 66.6 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -71.9 | -8 | 178.6 | -61.7 | 2 | 0 | 0 | 0 | 112.6 | N177 V245 | N177-N243 WeakPolarHBondContact CB-OD1 3.44Å; N177-N243 PolarHBondContact ND2-OD1 3.19Å; N243-V245 PolarHBondContact O-N 3.48Å |
| 244 | K | 57 | Low | 63.6 | Low | 156 Ų | 156 | 98.6 Ų | 98.6 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | trans | -87.7 | 99.1 | 178.1 | -69.3 | -168.5 | 175.7 | -171.2 | 0 | 111.2 | L242 | L242-K244 PolarHBondContact O-N 3.39Š| ||
| 245 | V | 42.4 | Very low | 60.6 | Low | 124 Ų | 124 | 108.8 Ų | 108.8 | 75% | 0.752 | 58% | 0.582 | S | S | * | * | trans | -51.7 | 130.6 | 157.2 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | N243 T247 | N243-V245 PolarHBondContact O-N 3.48Å; V245-T247 PolarHBondContact O-N 2.87Å | ||
| 246 | P | 36.5 | Very low | 57.6 | Low | 117 Ų | 117 | 113.7 Ų | 113.7 | 76% | 0.76 | 61% | 0.606 | S | S | * | * | trans | -68.5 | 91.9 | -178.9 | -22.7 | 34.8 | 0 | 0 | 0 | 112.4 | K248 | P246-K248 PolarHBondContact O-N 2.8Š| ||
| 247 | T | 31.8 | Very low | 54.6 | Low | 128 Ų | 128 | 122.1 Ų | 122.1 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | trans | -62.7 | 97.3 | 163.7 | 34 | 0 | 0 | 0 | 0 | 109.2 | V245 | V245-T247 PolarHBondContact O-N 2.87Š| ||
| 248 | K | 37.7 | Very low | 51.3 | Low | 179 Ų | 179 | 122.6 Ų | 122.6 | 78% | 0.778 | 66% | 0.66 | S | S | * | * | trans | -56.3 | 146 | 163.1 | -70.4 | 178.5 | 179.8 | 171.8 | 0 | 108.3 | P246 | P246-K248 PolarHBondContact O-N 2.8Š| ||
| 249 | N | 38 | Very low | 48.4 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | 77.5 | 75.3 | 171.8 | -47 | -18.4 | 0 | 0 | 0 | 116.4 | ||||
| 250 | S | 34 | Very low | 45.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | trans | -127.3 | 27 | 157.9 | 56.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 251 | S | 34.4 | Very low | 42.4 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -122.4 | 18.6 | -174.3 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 252 | I | 39 | Very low | 39.3 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -111.7 | -29.1 | -178.2 | -63.4 | -178.9 | 0 | 0 | 0 | 112 | A254 | I252-A254 VanDerWaalsContact C-N 3.35Å; I252-A254 PolarHBondContact O-N 2.89Å |
| 253 | L | 37.8 | Very low | 36.7 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 95% | 0.948 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -94.8 | 29.4 | 178.7 | -72.1 | 169.3 | 0 | 0 | 0 | 114.1 | ||
| 254 | A | 32.3 | Very low | 34.4 | Very low | 87 Ų | 87 | 149.5 Ų | 149.5 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -124.7 | 25.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I252 | I252-A254 VanDerWaalsContact C-N 3.35Å; I252-A254 PolarHBondContact O-N 2.89Å |
| 255 | R | 33.4 | Very low | 33 | Very low | 221 Ų | 221 | 150.8 Ų | 150.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -144.1 | 75.8 | 169.6 | -79.5 | -160.9 | 179.1 | 98.3 | -3.7 | 111 | ||
| 256 | N | 32.8 | Very low | 32.3 | Very low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -174 | 166.4 | 145 | -91.5 | -21.6 | 0 | 0 | 0 | 108 | ||||
| 257 | L | 31.5 | Very low | 31.8 | Very low | 178 Ų | 178 | 149.9 Ų | 149.9 | 93% | 0.932 | 81% | 0.811 | S | S | * | * | trans | 76.6 | 85.3 | -168.3 | -55.7 | 174 | 0 | 0 | 0 | 115 | ||||
| 258 | N | 26.6 | Very low | 31.4 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -152.6 | 95.3 | 147.7 | -174.2 | 30.8 | 0 | 0 | 0 | 109.4 | ||||
| 259 | I | 33.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | -159 | 152 | 163.8 | -103 | 153.9 | 0 | 0 | 0 | 107.1 | ||||
| 260 | N | 31.5 | Very low | 30.3 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 64% | 0.642 | 82% | 0.819 | S | S | * | * | trans | -97.7 | 158.2 | -152.2 | -54.2 | -42.2 | 0 | 0 | 0 | 115.6 | ||||
| 261 | Q | 30.2 | Very low | 29.8 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | 66.9 | 159.7 | 151.8 | -66.6 | 156.1 | 11.1 | 0 | 0 | 116.1 | ||||
| 262 | V | 27.9 | Very low | 29.5 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 75% | 0.752 | 82% | 0.82 | S | S | * | * | cis | -125.8 | 178.9 | 6.6 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 263 | E | 29.8 | Very low | 29 | Very low | 178 Ų | 178 | 152.6 Ų | 152.6 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | trans | -47.5 | 150.7 | 163.2 | -57.8 | 158.4 | 134.5 | 0 | 0 | 112.2 | ||||
| 264 | E | 25.1 | Very low | 28.4 | Very low | 200 Ų | 200 | 147.2 Ų | 147.2 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | -163.4 | -166.1 | 81.8 | -141.1 | -176.5 | 176.6 | 0 | 0 | 113.4 | |||||
| 265 | M | 27.1 | Very low | 28.4 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -124.9 | 122.2 | -165.5 | 179.4 | 179.7 | -177.3 | 0 | 0 | 113.4 | ||||
| 266 | S | 27.2 | Very low | 28 | Very low | 124 Ų | 124 | 144 Ų | 144 | 87% | 0.867 | 82% | 0.818 | S | S | * | * | trans | -155.1 | 153 | 156.5 | 60.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 267 | A | 25.6 | Very low | 28.1 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -109.4 | 145 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 268 | C | 24.4 | Very low | 27.8 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -156.2 | 126.2 | 158.4 | -124.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 269 | T | 24.6 | Very low | 27.9 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -81.2 | 138.9 | 166.4 | -51.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 270 | I | 27.3 | Very low | 27.6 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -164.9 | 136 | 148.9 | -102.7 | 146.8 | 0 | 0 | 0 | 109.3 | ||||
| 271 | S | 23.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | -104.5 | 150.6 | 167.3 | -54 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 272 | I | 29.4 | Very low | 28 | Very low | 159 Ų | 159 | 140.2 Ų | 140.2 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -167.9 | 156.3 | 146.6 | -106 | 152.4 | 0 | 0 | 0 | 111.8 | ||||
| 273 | Q | 28 | Very low | 28 | Very low | 174 Ų | 174 | 142.6 Ų | 142.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 162.1 | -175 | -67.4 | 125.1 | -70.4 | 0 | 0 | 115.5 | ||
| 274 | G | 25.3 | Very low | 27.9 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 166.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 275 | P | 32.8 | Very low | 28 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 142.9 | -172.5 | 35.1 | -34.4 | 0 | 0 | 0 | 114.3 | ||
| 276 | S | 24 | Very low | 28.1 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | trans | -111.5 | 138.6 | 162.6 | 56.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 277 | I | 34.3 | Very low | 28 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | -123.5 | 146.6 | -178.9 | -64 | 179.8 | 0 | 0 | 0 | 110.3 | ||||
| 278 | Y | 26.5 | Very low | 29.1 | Very low | 203 Ų | 203 | 135.9 Ų | 135.9 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -87.5 | 147.6 | -171.7 | -94.1 | -114.6 | 0 | 0 | 0 | 114.8 | ||||
| 279 | N | 27.5 | Very low | 29.2 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 75% | 0.746 | S | S | * | * | trans | 2.2 | 151.8 | 130.5 | -61.2 | 8.8 | 0 | 0 | 0 | 118.8 | ||||
| 280 | N | 27.8 | Very low | 29.5 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | cis | -171.8 | 166.2 | -0.4 | -112.6 | 7.6 | 0 | 0 | 0 | 112.8 | ||||
| 281 | E | 28.6 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | trans | 69.9 | 163.7 | 144.8 | -77.2 | -97.3 | 163.2 | 0 | 0 | 118.5 | K283 | E281-K283 PolarHBondContact OE2-N 2.94Å; E281-K283 VanDerWaalsContact OE2-N 3.13Å | ||
| 282 | P | 41.3 | Very low | 30 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | cis | -145.7 | 166.7 | 28.2 | 45 | -25.4 | 0 | 0 | 0 | 122.9 | ||||
| 283 | K | 28.1 | Very low | 30 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | 76.5 | 152 | 156.9 | -69.2 | 155.6 | -174.4 | 176.5 | 0 | 116.8 | E281 | E281-K283 PolarHBondContact OE2-N 2.94Å; E281-K283 VanDerWaalsContact OE2-N 3.13Å | ||
| 284 | N | 26.5 | Very low | 30.1 | Very low | 142 Ų | 142 | 135.5 Ų | 135.5 | 76% | 0.759 | 72% | 0.72 | S | S | * | * | cis | -156.6 | 170.1 | 18 | -148.4 | 10.2 | 0 | 0 | 0 | 114.7 | ||||
| 285 | T | 27.4 | Very low | 30.3 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | trans | 89.8 | 108.1 | 147.5 | -52.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 286 | I | 28.9 | Very low | 30.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 84% | 0.836 | 71% | 0.713 | S | S | * | * | trans | 84.4 | 151.1 | 147.8 | -69.8 | 171 | 0 | 0 | 0 | 120.4 | ||||
| 287 | N | 25.6 | Very low | 30.1 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | -141.8 | -163.1 | -159.8 | -144 | 5.5 | 0 | 0 | 0 | 106.4 | ||||
| 288 | P | 48.8 | Very low | 29.6 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 58% | 0.584 | 72% | 0.715 | S | S | * | * | cis | -137.3 | -165.2 | -11.1 | 20.6 | 8.4 | 0 | 0 | 0 | 115 | ||||
| 289 | H | 27.3 | Very low | 29.6 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | 88.1 | 130.6 | 160.7 | -72.8 | -90.8 | 0 | 0 | 0 | 119.5 | ||||
| 290 | E | 30.6 | Very low | 29.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 55% | 0.551 | 72% | 0.717 | S | S | * | * | cis | -166.7 | 142 | -12.8 | -142.9 | -177.4 | 164.9 | 0 | 0 | 114 | ||||
| 291 | K | 31.4 | Very low | 29.5 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 53.2 | 161.8 | 148.8 | -79.3 | 170.2 | -169.3 | 160.1 | 0 | 118.4 | ||||
| 292 | V | 29.7 | Very low | 30 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | cis | -159.8 | 164 | 1.8 | 101.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 293 | Q | 29.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 70% | 0.696 | 72% | 0.719 | S | S | * | * | cis | -145.3 | 175.4 | 6.2 | -128.7 | -169.8 | 72.1 | 0 | 0 | 111.5 | ||||
| 294 | M | 29.4 | Very low | 29.5 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | -4 | 161.1 | 130.9 | -71.6 | -176.2 | 179.7 | 0 | 0 | 120 | ||||
| 295 | K | 30 | Very low | 29.5 | Very low | 175 Ų | 175 | 131.6 Ų | 131.6 | 76% | 0.761 | 72% | 0.721 | S | S | * | * | cis | -160.3 | -160.2 | 13.4 | -124.8 | 162.9 | -179.9 | 173.5 | 0 | 110 | ||||
| 296 | S | 28.9 | Very low | 29.5 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | -171.2 | 155 | -104.1 | 70.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 297 | I | 24.3 | Very low | 29.7 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | trans | -175.9 | 163.1 | 138 | -97 | 154.4 | 0 | 0 | 0 | 110.3 | ||||
| 298 | C | 24.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 133 Ų | 133 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -139.3 | -174.6 | -167.6 | -168.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 299 | A | 25.6 | Very low | 29 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | 101.9 | 147.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 300 | N | 27.1 | Very low | 29.1 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | cis | -164.4 | 169 | -29.2 | -104.1 | -17.6 | 0 | 0 | 0 | 112.1 | ||||
| 301 | S | 25.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | trans | -68 | 164.4 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 302 | P | 39 | Very low | 28.9 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | -149 | 155.2 | 76.5 | 32 | -8.3 | 0 | 0 | 0 | 116.6 | |||||
| 303 | I | 30.4 | Very low | 28.9 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | 93.7 | 111.2 | 61.7 | -60.9 | 164.9 | 0 | 0 | 0 | 117.1 | |||||
| 304 | K | 28.2 | Very low | 28.9 | Very low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 73% | 0.73 | S | S | * | * | trans | 53.4 | 168.3 | 151.5 | -59.8 | 176.2 | 177.8 | -178.7 | 0 | 119.9 | ||||
| 305 | A | 27.5 | Very low | 28.9 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 66% | 0.661 | 73% | 0.731 | S | S | * | * | cis | -158.1 | 171.2 | 6.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 306 | Q | 27.2 | Very low | 28.8 | Very low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | trans | 65.1 | 165.1 | 154 | -70.4 | -171.9 | -76.2 | 0 | 0 | 121.6 | ||||
| 307 | Q | 33 | Very low | 28.7 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | cis | -174.6 | 142.8 | -35.4 | 175 | 166.5 | -6.9 | 0 | 0 | 113 | ||||
| 308 | D | 30.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | 56.1 | 142.7 | 165.2 | -59.5 | -27.3 | 0 | 0 | 0 | 120.5 | ||||
| 309 | Q | 30.1 | Very low | 29 | Very low | 169 Ų | 169 | 132.7 Ų | 132.7 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | -165.1 | 154.6 | 60.9 | -88.1 | -169.4 | 4.8 | 0 | 0 | 117 | |||||
| 310 | L | 27.8 | Very low | 29.1 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | 64.4 | 114.1 | 140.1 | -66.6 | 174 | 0 | 0 | 0 | 125.8 | ||||
| 311 | Q | 30.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | 65.3 | 148.7 | 123.4 | -76 | -158.6 | 54.2 | 0 | 0 | 123.5 | |||||
| 312 | V | 28.7 | Very low | 29.3 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 66% | 0.661 | 73% | 0.725 | S | S | * | * | cis | -167.9 | 172.8 | -19.2 | 90 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 313 | K | 28.9 | Very low | 28.8 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 73% | 0.726 | 72% | 0.722 | S | S | * | * | trans | 86.9 | 109.5 | 159.7 | -96 | 160.7 | -175.3 | 171.5 | 0 | 122 | ||||
| 314 | N | 29.8 | Very low | 28.7 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 62.5 | 146.9 | 114.3 | -64.1 | 20.3 | 0 | 0 | 0 | 121 | |||||
| 315 | N | 28.6 | Very low | 28.6 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | cis | -164.5 | 168.1 | 2.4 | -127.7 | -12.7 | 0 | 0 | 0 | 114 | ||||
| 316 | V | 28.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 70% | 0.703 | 72% | 0.722 | S | S | * | * | trans | 67.1 | 120.6 | 150.4 | 166.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 317 | K | 28 | Very low | 28.6 | Very low | 198 Ų | 198 | 136.1 Ų | 136.1 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | 67.9 | 145.1 | 57.1 | -74.9 | -167.2 | 172.6 | -179.8 | 0 | 114.4 | |||||
| 318 | A | 27.5 | Very low | 28.2 | Very low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | cis | -165.4 | 168.8 | -18.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 319 | S | 25.6 | Very low | 28 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 68.1 | 115.7 | 135.2 | 59.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 320 | L | 28.8 | Very low | 27.9 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | 91.8 | 149.7 | 123.5 | -96 | 69.4 | 0 | 0 | 0 | 122.9 | |||||
| 321 | H | 29.6 | Very low | 27.9 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | trans | 83.5 | 95.5 | 154.3 | -72.9 | -45.5 | 0 | 0 | 0 | 122.9 | ||||
| 322 | N | 27.7 | Very low | 27.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 78.4 | 142.3 | 106.9 | -98.6 | -15.2 | 0 | 0 | 0 | 123.8 | |||||
| 323 | V | 28.2 | Very low | 27.9 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | trans | 87.5 | 112.1 | 140.6 | 167.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 324 | K | 28.6 | Very low | 27.9 | Very low | 192 Ų | 192 | 135.3 Ų | 135.3 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | 60.6 | 122.8 | 140.9 | -73.8 | -177.5 | -179.8 | 177.8 | 0 | 123.1 | ||||
| 325 | S | 26.3 | Very low | 28 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | 82.1 | 114.6 | 114.8 | -169.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 326 | C | 25.3 | Very low | 28.1 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 72% | 0.716 | 75% | 0.75 | S | S | * | * | trans | 61.6 | 126.4 | 139.2 | -58.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 327 | L | 28.4 | Very low | 28.2 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 52.1 | 110.8 | 132.8 | -63.5 | 168.3 | 0 | 0 | 0 | 120.4 | ||||
| 328 | S | 25.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | -180 | 124 | 118.1 | 54.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 329 | V | 25.5 | Very low | 28.3 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | 69.8 | 116.4 | 98.2 | 179.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 330 | F | 28.2 | Very low | 28.9 | Very low | 210 Ų | 210 | 136.9 Ų | 136.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -141.7 | 158.4 | 134.8 | -77.5 | -88.1 | 0 | 0 | 0 | 108.8 | ||||
| 331 | N | 27.6 | Very low | 28.9 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | -172.8 | 108.9 | -54.7 | -137.5 | -0.1 | 0 | 0 | 0 | 106.4 | |||||
| 332 | T | 28.6 | Very low | 29 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | trans | 63.9 | 161 | 155.9 | 77.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 333 | K | 31.2 | Very low | 29.2 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | cis | -130.6 | 179.1 | -0.5 | -62.6 | 173.5 | -176.4 | 174.2 | 0 | 106.9 | ||||
| 334 | S | 29.6 | Very low | 30.1 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | cis | -147.8 | -163.3 | 16.8 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 335 | S | 30.5 | Very low | 30 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -110.3 | 164.3 | -153.8 | 55.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 336 | T | 30.5 | Very low | 30.3 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 65.7 | 146.3 | 151.2 | 42.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 337 | S | 30.3 | Very low | 30.4 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | cis | -160.4 | 154.1 | -7.1 | 44.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 338 | L | 30.9 | Very low | 30.6 | Very low | 183 Ų | 183 | 136.8 Ų | 136.8 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | trans | -6.1 | 128.1 | 160.4 | -158.7 | 75.3 | 0 | 0 | 0 | 119.1 | ||||
| 339 | G | 28.1 | Very low | 32 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -172.5 | 126.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 340 | Q | 36.7 | Very low | 32.3 | Very low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -132.2 | 125.6 | -175.5 | 176.7 | -173.7 | 4.6 | 0 | 0 | 109.7 | ||||
| 341 | L | 28.7 | Very low | 32.2 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | trans | -173.6 | 172.3 | 161.1 | -107.3 | 161.6 | 0 | 0 | 0 | 111.4 | ||||
| 342 | Q | 31.7 | Very low | 32.4 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -117.2 | 152.4 | -176 | -63.3 | 173.7 | -53.2 | 0 | 0 | 111.6 | ||||
| 343 | S | 32.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | 22.5 | 149.4 | 148.1 | 64.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 344 | P | 47.2 | Very low | 32.7 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | cis | -156.8 | -155.7 | 39.8 | 41.2 | -16.6 | 0 | 0 | 0 | 117.3 | ||||
| 345 | T | 26.8 | Very low | 32.8 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | 88.4 | 154.5 | 148.2 | 33.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 346 | L | 31.8 | Very low | 32.7 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -96.4 | 160.7 | -173.3 | -77.7 | 63.9 | 0 | 0 | 0 | 112.9 | ||||
| 347 | N | 28 | Very low | 32.7 | Very low | 158 Ų | 158 | 143.2 Ų | 143.2 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | -179.4 | 166.1 | 114.4 | -89.5 | -29.4 | 0 | 0 | 0 | 114 | |||||
| 348 | S | 33.6 | Very low | 32.6 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -100.9 | -152.6 | -174.5 | -36.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 349 | P | 53.7 | Low | 32.4 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -145 | -140.9 | 18.6 | 42 | -16.6 | 0 | 0 | 0 | 115.3 | ||||
| 350 | I | 31.3 | Very low | 32.5 | Very low | 154 Ų | 154 | 147.5 Ų | 147.5 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | 86.7 | 140.5 | 171.6 | -70.6 | 158.9 | 0 | 0 | 0 | 115 | ||||
| 351 | Y | 26.7 | Very low | 32.1 | Very low | 197 Ų | 197 | 145.9 Ų | 145.9 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -130.7 | -94.8 | 8 | -163.4 | -144.1 | 0 | 0 | 0 | 118 | ||||
| 352 | M | 32.2 | Very low | 32 | Very low | 136 Ų | 136 | 141 Ų | 141 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | -147.3 | 162.3 | -157.8 | -79.8 | -72 | 103.9 | 0 | 0 | 111.5 | ||||
| 353 | Q | 33.1 | Very low | 31.9 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | cis | -153 | -174 | 28.4 | -135.8 | 177.3 | 107.8 | 0 | 0 | 108.2 | ||||
| 354 | K | 31.8 | Very low | 31.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 67% | 0.665 | 75% | 0.75 | S | S | * | * | cis | -146.5 | -103 | 9 | -165.1 | -175.8 | -170.8 | 81.8 | 0 | 114.5 | ||||
| 355 | Q | 32.6 | Very low | 30.6 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | -154.5 | 153.9 | -161.8 | -68.4 | 161.9 | -52.3 | 0 | 0 | 110.2 | ||||
| 356 | G | 28.3 | Very low | 30.7 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | 161.1 | 175.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 357 | K | 29.8 | Very low | 30.6 | Very low | 201 Ų | 201 | 146.6 Ų | 146.6 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | 74.6 | 125.5 | 176.4 | -67.6 | -174.8 | 176.5 | -171.4 | 0 | 115.6 | ||||
| 358 | N | 28.4 | Very low | 30.6 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | 67.7 | 135.8 | 76 | -77.1 | 43.5 | 0 | 0 | 0 | 112.7 | |||||
| 359 | E | 28.1 | Very low | 30.5 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -135.8 | 151.8 | 6.2 | -99.2 | 123.3 | -138.8 | 0 | 0 | 109.5 | ||||
| 360 | H | 29 | Very low | 29.3 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 65.4 | 121.2 | 73.8 | -96.4 | -83.9 | 0 | 0 | 0 | 117.3 | |||||
| 361 | L | 28.5 | Very low | 29.3 | Very low | 156 Ų | 156 | 146 Ų | 146 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | trans | 68.6 | 158.3 | 163.2 | -85.8 | 73.6 | 0 | 0 | 0 | 117 | ||||
| 362 | A | 27.5 | Very low | 29.5 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | cis | -163.3 | 153.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 363 | F | 28.3 | Very low | 29.4 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | trans | 52.4 | 144.4 | 143.8 | -84 | -75.4 | 0 | 0 | 0 | 124.9 | ||||
| 364 | N | 26.4 | Very low | 29.4 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 73.7 | 155.7 | 145.1 | -74.5 | -29 | 0 | 0 | 0 | 118.5 | ||||
| 365 | T | 27 | Very low | 29.3 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | cis | -148.6 | 171 | 10 | -17 | 0 | 0 | 0 | 0 | 113 | ||||
| 366 | K | 28.9 | Very low | 29.2 | Very low | 164 Ų | 164 | 138 Ų | 138 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -2.4 | 145.4 | 147.5 | -62.3 | 162.3 | -175 | 175.9 | 0 | 117 | ||||
| 367 | F | 30.3 | Very low | 29.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | -161.6 | 174.8 | 69.8 | -111 | -84.1 | 0 | 0 | 0 | 116.1 | |||||
| 368 | K | 27.8 | Very low | 29.1 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | trans | -88.8 | -178.9 | 175.9 | -63 | -178.6 | 174.4 | -177.5 | 0 | 112.2 | ||||
| 369 | S | 30.2 | Very low | 29.1 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 96.3 | 147.4 | 153.2 | 78.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 370 | S | 29.4 | Very low | 29.1 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | cis | -175.5 | 152.9 | -23.4 | 55 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 371 | T | 30.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 63.3 | 141.3 | 150.9 | -7.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 372 | V | 32.1 | Very low | 29.4 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | 64.9 | 142.3 | 163.3 | -168 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 373 | G | 28.9 | Very low | 29.9 | Very low | 59 Ų | 59 | 134.6 Ų | 134.6 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | cis | 151.3 | 124.9 | -11 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 374 | S | 33.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 70.5 | 133.7 | 164.9 | -56.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 375 | E | 30.2 | Very low | 31.1 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | 89 | 141.3 | 136.6 | -102.5 | -179.1 | 136.7 | 0 | 0 | 125.1 | ||||
| 376 | L | 30.3 | Very low | 31.3 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 94.9 | 156.7 | -57.4 | -180 | 0 | 0 | 0 | 123.9 | ||||
| 377 | V | 28 | Very low | 31.6 | Very low | 122 Ų | 122 | 133 Ų | 133 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | 54.6 | 114.6 | 101.5 | 177.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 378 | L | 28.4 | Very low | 31.4 | Very low | 157 Ų | 157 | 132.3 Ų | 132.3 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 46.9 | 134.5 | 143.6 | -84.4 | 159.6 | 0 | 0 | 0 | 123.4 | ||||
| 379 | V | 28.8 | Very low | 31.8 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | 168 | 124.2 | 109.5 | 157.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 380 | S | 28.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | 39.6 | 175.1 | 144.6 | -48.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 381 | T | 31.7 | Very low | 31.9 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | cis | -159.9 | 171.2 | 13.1 | -25 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 382 | T | 31.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | 65.6 | 124.7 | 156.7 | 42.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 383 | I | 38 | Very low | 31.9 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | 71.6 | 121.1 | 45.3 | -58.5 | 177.1 | 0 | 0 | 0 | 110.8 | ||||
| 384 | P | 41.5 | Very low | 31.9 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | -146.5 | 170.9 | 62.9 | 41.3 | -22.2 | 0 | 0 | 0 | 120.2 | |||||
| 385 | T | 38.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 138.2 Ų | 138.2 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | -101.9 | 153.8 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 386 | V | 32.7 | Very low | 31.9 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -146 | 148.7 | 145.3 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 387 | H | 33.3 | Very low | 31.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -87.4 | 167.4 | 179.3 | -72.2 | -113 | 0 | 0 | 0 | 114 | ||||
| 388 | H | 27.5 | Very low | 32.1 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -141 | 149.9 | 132.9 | -140.1 | -73.1 | 0 | 0 | 0 | 111.3 | ||||
| 389 | V | 34.8 | Very low | 32.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 62% | 0.624 | 78% | 0.778 | S | S | * | * | trans | -137.8 | 153.9 | 176.8 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 390 | S | 30.3 | Very low | 32.4 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -161.2 | 139.5 | 162.4 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 391 | D | 31.5 | Very low | 32.9 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 165.5 | -165.4 | -42.4 | -93.5 | 0 | 0 | 0 | 114.8 | ||||
| 392 | L | 30.4 | Very low | 33.3 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | -173 | 155.2 | 114.1 | -164.4 | 54.2 | 0 | 0 | 0 | 111.9 | |||||
| 393 | E | 32.9 | Very low | 33.3 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | -84.1 | 157.3 | -178 | -52.7 | 177.5 | 108.3 | 0 | 0 | 113.9 | ||||
| 394 | M | 29.1 | Very low | 33.4 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -179 | 142.3 | 105.8 | -155.4 | 55.5 | 161.9 | 0 | 0 | 114.2 | |||||
| 395 | S | 30.4 | Very low | 32.9 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | -1.6 | 134.4 | 168.2 | 65.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 396 | S | 32.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | -178.9 | 140.8 | 109.8 | 40.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 397 | T | 30 | Very low | 32.9 | Very low | 137 Ų | 137 | 144 Ų | 144 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | 24.4 | 117.5 | 158.4 | 52.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 398 | L | 32.5 | Very low | 32.7 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -74.6 | 139.8 | 158 | -85.9 | 75.3 | 0 | 0 | 0 | 111.8 | ||||
| 399 | D | 30.8 | Very low | 33 | Very low | 154 Ų | 154 | 143 Ų | 143 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | -179 | 107.1 | 102.3 | -109 | -11.4 | 0 | 0 | 0 | 111.3 | |||||
| 400 | S | 32.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -157.9 | 87.4 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 401 | L | 39.7 | Very low | 32.7 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 162.6 | 168.4 | -62.4 | 169.3 | 0 | 0 | 0 | 116.5 | ||||
| 402 | P | 38.8 | Very low | 32.6 | Very low | 128 Ų | 128 | 144.7 Ų | 144.7 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | -123.2 | 153.7 | 123.4 | 35.4 | -32.9 | 0 | 0 | 0 | 112.2 | |||||
| 403 | M | 32.8 | Very low | 32.6 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | trans | -89 | 173.7 | 172.6 | -70.8 | -152.4 | 71.9 | 0 | 0 | 112.2 | ||||
| 404 | L | 38.3 | Very low | 32.6 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -8.2 | 124.2 | 158 | -61 | 166.2 | 0 | 0 | 0 | 115.7 | ||||
| 405 | A | 32.2 | Very low | 32.5 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | trans | -114.6 | 133.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 406 | D | 35.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | trans | -73 | 158.3 | 179.3 | -58.2 | -70.5 | 0 | 0 | 0 | 112 | ||||
| 407 | W | 34.4 | Very low | 32.5 | Very low | 211 Ų | 211 | 143 Ų | 143 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -130.8 | 86.7 | -179.5 | -79 | 69 | 0 | 0 | 0 | 110.7 | ||||
| 408 | E | 30.2 | Very low | 32.9 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -104 | 92.4 | 159.8 | -68.8 | -166.2 | 143.4 | 0 | 0 | 109 | V410 | E408-V410 PolarHBondContact O-N 3.41Š| ||
| 409 | D | 33.3 | Very low | 32.6 | Very low | 128 Ų | 128 | 143.4 Ų | 143.4 | 68% | 0.684 | 79% | 0.794 | S | S | * | * | trans | -80.3 | 95.9 | 177.1 | -88.1 | -39.5 | 0 | 0 | 0 | 111.2 | V411 | D409-V411 PolarHBondContact O-N 3.11Š| ||
| 410 | V | 31.4 | Very low | 32.5 | Very low | 123 Ų | 123 | 145.6 Ų | 145.6 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -80.1 | 112.2 | 164.6 | 177 | 0 | 0 | 0 | 0 | 109.2 | E408 L412 | E408-V410 PolarHBondContact O-N 3.41Å; V410-L412 PolarHBondContact O-N 3.38Å | ||
| 411 | V | 27.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -74.5 | 114.6 | -179.2 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | D409 L413 | D409-V411 PolarHBondContact O-N 3.11Å; V411-L413 HydrophobicContact CG1-CG 4.47Å | ||
| 412 | L | 28.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -113.5 | 121 | 166.1 | -67.5 | 177.1 | 0 | 0 | 0 | 110.2 | V410 | V410-L412 PolarHBondContact O-N 3.38Š| ||
| 413 | L | 31.1 | Very low | 31.4 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 140 | 175.4 | -67.7 | 172.9 | 0 | 0 | 0 | 110.7 | V411 A415 | V411-L413 HydrophobicContact CG1-CG 4.47Å; L413-A415 PolarHBondContact O-N 2.89Å |
| 414 | P | 33.7 | Very low | 31.1 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 124.5 | 174.7 | -17.5 | 31.3 | 0 | 0 | 0 | 112 | ||
| 415 | A | 26.7 | Very low | 30.5 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L413 | L413-A415 PolarHBondContact O-N 2.89Š|
| 416 | S | 33.7 | Very low | 30.5 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 130.3 | 176.4 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 417 | Q | 30 | Very low | 30.7 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83 | 148.4 | 172.4 | -74.2 | -70.6 | -23.9 | 0 | 0 | 111.9 | ||
| 418 | P | 37.4 | Very low | 30.4 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 163 | -165.9 | 37.5 | -36.7 | 0 | 0 | 0 | 114.3 | ||
| 419 | K | 27.2 | Very low | 30.5 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -163.4 | 126.6 | 152.3 | -114.3 | 155.7 | -171.1 | 169.8 | 0 | 115.7 | ||||
| 420 | K | 27.1 | Very low | 30.3 | Very low | 200 Ų | 200 | 139.3 Ų | 139.3 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 121.4 | 152.9 | -70.7 | -169.7 | 170.8 | -167.2 | 0 | 120.9 | ||||
| 421 | N | 28 | Very low | 30.5 | Very low | 155 Ų | 155 | 139.4 Ų | 139.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -65.2 | 158 | 156.1 | -47.4 | -9 | 0 | 0 | 0 | 111.7 | ||||
| 422 | I | 31.7 | Very low | 30.7 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -149.5 | 144.7 | 140.7 | -97.4 | 160.1 | 0 | 0 | 0 | 106.2 | ||||
| 423 | D | 27.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | -76.1 | 157.3 | -174.5 | -50.2 | -86.8 | 0 | 0 | 0 | 114.3 | ||||
| 424 | C | 28.2 | Very low | 30.8 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | -178.5 | 112 | 124.1 | -92.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 425 | T | 25.4 | Very low | 30.7 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | 53.7 | 125.2 | 128.4 | -33.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 426 | V | 31.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | trans | -75.4 | 168.5 | 170.1 | -146.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 427 | P | 39.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 146 Ų | 146 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | -148.5 | 136.7 | 98.3 | 34.8 | -16.7 | 0 | 0 | 0 | 117.5 | |||||
| 428 | I | 28.9 | Very low | 30.3 | Very low | 138 Ų | 138 | 144.5 Ų | 144.5 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | 59.6 | 116.2 | 129.7 | -55.3 | 167.2 | 0 | 0 | 0 | 119.2 | |||||
| 429 | S | 31.7 | Very low | 29.9 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -166.4 | 101 | 114.8 | 14.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 430 | D | 28.8 | Very low | 29.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -80.9 | 168 | 170.8 | -57.8 | -76.3 | 0 | 0 | 0 | 111.5 | ||||
| 431 | S | 36.8 | Very low | 29.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -154.9 | 99.1 | 164.6 | -72.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 432 | D | 31.7 | Very low | 29.9 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -68.9 | 154.3 | -170.7 | -52.4 | -82.9 | 0 | 0 | 0 | 114.2 | ||||
| 433 | L | 32.8 | Very low | 29.5 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -158.8 | 94.7 | 143.4 | -117.7 | 161.3 | 0 | 0 | 0 | 110.6 | ||||
| 434 | E | 29.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -70.5 | 160.7 | 163.2 | -72.3 | -159.9 | 144.2 | 0 | 0 | 111.3 | ||||
| 435 | I | 30.6 | Very low | 29.2 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | 173.8 | 116.3 | 107.9 | -87.3 | 159.4 | 0 | 0 | 0 | 110.2 | |||||
| 436 | S | 28.1 | Very low | 29.4 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | 66.1 | 161.1 | 156.5 | 80.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 437 | F | 26.3 | Very low | 29.1 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -132.8 | 148.9 | 7.3 | -108.6 | -72.7 | 0 | 0 | 0 | 113.3 | ||||
| 438 | N | 27.7 | Very low | 28.5 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -60.7 | 162.5 | 157.4 | -79.5 | -32.7 | 0 | 0 | 0 | 111.7 | ||||
| 439 | S | 29.2 | Very low | 28.3 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | cis | -178.7 | 160.7 | -11.1 | 51 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 440 | G | 27 | Very low | 28 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 117.2 | 105 | 143.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 441 | E | 26.9 | Very low | 28.2 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -145 | 131.9 | 146.1 | -150 | 167 | -132.8 | 0 | 0 | 108.5 | ||||
| 442 | G | 27.9 | Very low | 28 | Very low | 70 Ų | 70 | 146.8 Ų | 146.8 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -144.2 | 107.3 | -171 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 443 | L | 24.6 | Very low | 27.8 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | 44.4 | 113.2 | 144.2 | -169.2 | 76.2 | 0 | 0 | 0 | 118.2 | ||||
| 444 | M | 24.9 | Very low | 27.6 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | -178.3 | 115.3 | 118.1 | -94.8 | -57.3 | 176.8 | 0 | 0 | 113.6 | |||||
| 445 | V | 24.4 | Very low | 27.6 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | 47 | 113.4 | 126.2 | 178.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 446 | L | 28.4 | Very low | 27.6 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 32.4 | 128.9 | 134.4 | -55.2 | 170.7 | 0 | 0 | 0 | 121.1 | ||||
| 447 | K | 25.8 | Very low | 27.6 | Very low | 205 Ų | 205 | 143 Ų | 143 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | -159.2 | 156 | 109.7 | -119.5 | 176.6 | -179.9 | -179.5 | 0 | 114.5 | |||||
| 448 | E | 26.6 | Very low | 27.6 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -78.5 | 164.4 | 171.2 | -58.5 | 149.9 | 112.2 | 0 | 0 | 111.4 | ||||
| 449 | L | 25.7 | Very low | 27.6 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | -168.4 | 172 | 120.6 | -102.7 | 166.8 | 0 | 0 | 0 | 112.8 | |||||
| 450 | E | 23.8 | Very low | 27.8 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | -87.4 | 165.3 | -155.1 | -61.3 | 155.8 | 116.3 | 0 | 0 | 116.3 | ||||
| 451 | M | 32.8 | Very low | 27.9 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -90.6 | 153.8 | 161.5 | -69.1 | -69.8 | -60.8 | 0 | 0 | 110.6 | ||||
| 452 | P | 33.8 | Very low | 27.9 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -148.3 | 143.9 | 133.6 | 37.2 | -21.6 | 0 | 0 | 0 | 116.9 | ||||
| 453 | S | 28.3 | Very low | 28 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 45.6 | 149.2 | 139 | 68.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 454 | Q | 27.1 | Very low | 28.4 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | cis | -162.1 | 157 | 43.4 | -78.7 | -178.2 | -90.8 | 0 | 0 | 113.3 | ||||
| 455 | E | 29.6 | Very low | 28.6 | Very low | 145 Ų | 145 | 145.1 Ų | 145.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 44.8 | 154.3 | 130.5 | -63.2 | 171.7 | -128.1 | 0 | 0 | 123.2 | ||||
| 456 | N | 30.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | cis | -162.6 | 177.6 | 4.5 | -128.5 | -32.6 | 0 | 0 | 0 | 114.9 | ||||
| 457 | S | 28.9 | Very low | 29 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 82.7 | 143.2 | 152.4 | 73.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 458 | G | 25.3 | Very low | 29.1 | Very low | 61 Ų | 61 | 147.2 Ų | 147.2 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | trans | 91.2 | 108.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 459 | D | 28.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | cis | 69.1 | 126.6 | 32.3 | -43.5 | -72.3 | 0 | 0 | 0 | 112.2 | ||||
| 460 | I | 32.2 | Very low | 29.5 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 76% | 0.764 | 78% | 0.78 | S | S | * | * | cis | -153.4 | 174.7 | 5.9 | -152.4 | 155.3 | 0 | 0 | 0 | 107.5 | ||||
| 461 | E | 28.4 | Very low | 29.8 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | cis | -153.6 | -108.7 | 26 | -165.6 | 172.1 | -107.9 | 0 | 0 | 113.9 | ||||
| 462 | E | 28.6 | Very low | 29.6 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | -118.6 | 159.9 | -156.6 | -89.8 | -154.2 | 150.4 | 0 | 0 | 119.8 | ||||
| 463 | T | 29.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | 83.7 | 109.8 | 160.7 | 72.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 464 | P | 32.6 | Very low | 29.4 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 131.3 | 160.2 | 34.7 | -27.6 | 0 | 0 | 0 | 112.8 | ||
| 465 | K | 29.6 | Very low | 29.3 | Very low | 207 Ų | 207 | 145.4 Ų | 145.4 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 156.1 | 166.2 | -79.2 | 175.1 | 179.6 | 166.7 | 0 | 111.1 | ||
| 466 | K | 28.7 | Very low | 29.2 | Very low | 215 Ų | 215 | 147.3 Ų | 147.3 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 136.1 | -177.9 | -58.2 | 178.4 | 179.7 | -176.2 | 0 | 113 | ||
| 467 | S | 32.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -155.8 | 108.5 | 151.5 | 57.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 468 | E | 29 | Very low | 29.4 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 122.4 | 174.1 | -68.2 | 173.2 | 125 | 0 | 0 | 109.9 | ||
| 469 | T | 29.1 | Very low | 29.8 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84 | 119.2 | 176.2 | 49 | 0 | 0 | 0 | 0 | 110.9 | N471 | T469-N471 PolarHBondContact O-N 3.26Š|
| 470 | S | 31.4 | Very low | 30.1 | Very low | 123 Ų | 123 | 150.4 Ų | 150.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 118.1 | 175.8 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | S472 | S470-S472 PolarHBondContact O-N 3.12Š|
| 471 | N | 30.5 | Very low | 30 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 114.4 | 178.1 | -76.1 | -33.6 | 0 | 0 | 0 | 112.1 | T469 | T469-N471 PolarHBondContact O-N 3.26Š| ||
| 472 | S | 27.1 | Very low | 30 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -93 | 104.1 | 168.6 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | S470 V474 | S470-S472 PolarHBondContact O-N 3.12Å; S472-V474 PolarHBondContact O-N 2.85Å | ||
| 473 | I | 30.8 | Very low | 30 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | trans | -81.6 | 116.9 | 175.8 | -62.7 | 175.7 | 0 | 0 | 0 | 109.4 | ||||
| 474 | V | 27.4 | Very low | 30.1 | Very low | 113 Ų | 113 | 151.6 Ų | 151.6 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -104.6 | 116.4 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 109.4 | S472 | S472-V474 PolarHBondContact O-N 2.85Š| ||
| 475 | Y | 24.7 | Very low | 29.9 | Very low | 219 Ų | 219 | 152.2 Ų | 152.2 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -85.8 | 122.3 | 177.1 | -155.8 | -92.7 | 0 | 0 | 0 | 110.2 | ||||
| 476 | K | 29.2 | Very low | 29.9 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -104.7 | 128.8 | 175.4 | -73.1 | -174.1 | 177 | -179.2 | 0 | 110.5 | ||||
| 477 | S | 27.9 | Very low | 30 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -88.8 | 144.6 | 166.1 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 478 | P | 35.1 | Very low | 29.9 | Very low | 94 Ų | 94 | 150.5 Ų | 150.5 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | trans | -75.8 | 174.6 | 178.5 | 31.5 | -36.3 | 0 | 0 | 0 | 113.4 | ||||
| 479 | H | 33 | Very low | 30 | Very low | 180 Ų | 180 | 150.7 Ų | 150.7 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | 79.8 | 79.7 | 175.6 | -43.7 | -57.3 | 0 | 0 | 0 | 116.7 | ||||
| 480 | T | 34.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | trans | -124.2 | 130.8 | 153.3 | 40 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 481 | T | 31.1 | Very low | 30.7 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -79.9 | 125.2 | 179.1 | -52.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 482 | I | 29.3 | Very low | 30.6 | Very low | 139 Ų | 139 | 149 Ų | 149 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | -82.1 | 128.3 | 179.7 | -59.6 | 174.1 | 0 | 0 | 0 | 109.8 | ||||
| 483 | Y | 28.7 | Very low | 30.8 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -108.5 | 123.8 | 159 | -82.9 | -84.9 | 0 | 0 | 0 | 108.7 | ||||
| 484 | N | 29.2 | Very low | 30.7 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 128.8 | -179.9 | -70.9 | -20.8 | 0 | 0 | 0 | 111.1 | ||
| 485 | V | 29.6 | Very low | 31 | Very low | 141 Ų | 141 | 151.3 Ų | 151.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 131.5 | 162.4 | 179.4 | 0 | 0 | 0 | 0 | 107.6 | ||
| 486 | K | 29.1 | Very low | 31.3 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 85% | 0.852 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 153.4 | 179.9 | -73.3 | -176.2 | 175 | -177.8 | 0 | 111.7 | ||
| 487 | E | 31.4 | Very low | 31.5 | Very low | 196 Ų | 196 | 142 Ų | 142 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 145.6 | 173.3 | -56.7 | 164.1 | 116.6 | 0 | 0 | 112.1 | ||
| 488 | A | 29.2 | Very low | 31.5 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -127.9 | 140.1 | 159 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 489 | K | 31 | Very low | 31.4 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | trans | -91.7 | 149.7 | -170.7 | -61.7 | 178.1 | 177.9 | -178 | 0 | 111.7 | ||||
| 490 | D | 35 | Very low | 31.7 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 87% | 0.866 | 83% | 0.831 | S | S | * | * | trans | -54.8 | 152.4 | 155.2 | -80.3 | -51.1 | 0 | 0 | 0 | 110.7 | ||||
| 491 | P | 40.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 150.6 Ų | 150.6 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | -142.7 | 150.8 | 114.7 | 37.6 | -26 | 0 | 0 | 0 | 115.1 | |||||
| 492 | G | 27.9 | Very low | 31.8 | Very low | 78 Ų | 78 | 153.9 Ų | 153.9 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | 81.2 | 101.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 493 | S | 32.3 | Very low | 31.7 | Very low | 118 Ų | 118 | 154.8 Ų | 154.8 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -66.8 | 144.3 | 157.7 | 54.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 494 | D | 29.1 | Very low | 32 | Very low | 160 Ų | 160 | 153.2 Ų | 153.2 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -152 | 172.2 | 139.3 | -137.3 | -30.8 | 0 | 0 | 0 | 113 | ||||
| 495 | I | 32.7 | Very low | 32.1 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | trans | -112.2 | 137.4 | -150.5 | -64 | 158.5 | 0 | 0 | 0 | 113.1 | ||||
| 496 | S | 30.9 | Very low | 32.1 | Very low | 124 Ų | 124 | 148.4 Ų | 148.4 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | trans | -167.7 | 152.9 | 136.6 | 38 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 497 | A | 33.6 | Very low | 32 | Very low | 85 Ų | 85 | 144.6 Ų | 144.6 | 70% | 0.702 | 82% | 0.821 | S | S | * | * | trans | -92.4 | 159.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 498 | F | 28.8 | Very low | 32 | Very low | 220 Ų | 220 | 143.7 Ų | 143.7 | 97% | 0.965 | 81% | 0.814 | S | S | * | * | trans | -143.8 | 150 | 131.8 | -117.9 | -83.4 | 0 | 0 | 0 | 110.7 | ||||
| 499 | K | 32.8 | Very low | 32.1 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -97.1 | 145 | -166.3 | -69.7 | -177.6 | 175.8 | 179.6 | 0 | 114.1 | ||||
| 500 | L | 38.7 | Very low | 32 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 161.6 | 154.8 | -70.6 | 166.5 | 0 | 0 | 0 | 111 | ||||
| 501 | P | 38.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | -132.3 | 162.9 | 127.4 | 37.4 | -29.4 | 0 | 0 | 0 | 113.7 | |||||
| 502 | E | 28.9 | Very low | 31.4 | Very low | 197 Ų | 197 | 144 Ų | 144 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -92.2 | -175.8 | -174.6 | -60.6 | -177.3 | 106.2 | 0 | 0 | 114 | ||||
| 503 | H | 28.3 | Very low | 31.5 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 73% | 0.731 | 79% | 0.794 | S | S | * | * | trans | -126.5 | 128.5 | -171.1 | 141.4 | -96.9 | 0 | 0 | 0 | 112 | ||||
| 504 | K | 35.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | trans | 175.9 | 168.8 | 142.3 | -100.3 | 157.6 | -171.2 | 175.2 | 0 | 114.7 | ||||
| 505 | S | 29.5 | Very low | 31.4 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 147.4 | 175.9 | 79.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 506 | G | 29.7 | Very low | 31.3 | Very low | 62 Ų | 62 | 142.1 Ų | 142.1 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | cis | 163.7 | 111.1 | -16 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 507 | T | 28.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 126.4 | 150 | -23.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 508 | F | 31.1 | Very low | 32.4 | Very low | 177 Ų | 177 | 146 Ų | 146 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 170.1 | 141.6 | 107.1 | -91.7 | -63.8 | 0 | 0 | 0 | 117.7 | |||||
| 509 | N | 31.2 | Very low | 32.5 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | 58.5 | 90.9 | 146.3 | -65 | -20.7 | 0 | 0 | 0 | 124.9 | ||||
| 510 | R | 29.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 75% | 0.751 | 77% | 0.768 | S | S | * | * | 42.2 | 126.8 | 99.2 | -172 | -172.2 | -175.3 | -175.9 | 5.8 | 121.3 | N512 | R510-N512 VanDerWaalsContact CZ-OD1 3.29Å; R510-N512 PolarHBondContact NE-OD1 3.26Å; R510-N512 PolarHBondContact NH2-OD1 3.43Å | |||
| 511 | V | 30.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -134.4 | 160 | 137.5 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 512 | N | 32 | Very low | 31.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | trans | -100.3 | 158.7 | -172 | -44.4 | -64.1 | 0 | 0 | 0 | 114.1 | R510 | R510-N512 VanDerWaalsContact CZ-OD1 3.29Å; R510-N512 PolarHBondContact NE-OD1 3.26Å; R510-N512 PolarHBondContact NH2-OD1 3.43Å | ||
| 513 | A | 29.8 | Very low | 31.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | -178.3 | 109.6 | 128.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 514 | S | 29.8 | Very low | 31.5 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 22.6 | 125 | 140.8 | 57.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 515 | M | 30.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | 90.9 | 116.9 | 118.9 | -72.3 | -68.6 | 114.9 | 0 | 0 | 124.8 | |||||
| 516 | S | 29.1 | Very low | 31.1 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 72.3 | 135.6 | 133.6 | 60.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 517 | H | 36.3 | Very low | 31.2 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -73.4 | -169 | 165.4 | -46.3 | -76.7 | 0 | 0 | 0 | 111.7 | ||||
| 518 | P | 52.7 | Low | 31.1 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -144.7 | -157.4 | 8.3 | 32.9 | -5.3 | 0 | 0 | 0 | 116.3 | ||||
| 519 | L | 30.3 | Very low | 31 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | 81.7 | 160.1 | 163.1 | -57.5 | 167 | 0 | 0 | 0 | 117.3 | ||||
| 520 | V | 29.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | cis | 161.8 | 148.1 | -40.5 | 146.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 521 | L | 29.8 | Very low | 30.9 | Very low | 171 Ų | 171 | 129.7 Ų | 129.7 | 90% | 0.895 | 79% | 0.788 | S | S | * | * | trans | 73.1 | 145 | 173.9 | -116.2 | 69.4 | 0 | 0 | 0 | 117.2 | ||||
| 522 | G | 26.4 | Very low | 31 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 164.5 | 99.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 523 | K | 30.9 | Very low | 31 | Very low | 186 Ų | 186 | 138 Ų | 138 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | trans | -99 | 153.8 | -176 | -82 | 179.4 | 178.3 | 174.9 | 0 | 112.4 | ||||
| 524 | H | 29.8 | Very low | 31.3 | Very low | 175 Ų | 175 | 141 Ų | 141 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 12 | 136.4 | 155 | -47.3 | -71.6 | 0 | 0 | 0 | 119.8 | ||||
| 525 | S | 27 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | -169.2 | 163.4 | 93.6 | -151 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 526 | L | 30.1 | Very low | 32 | Very low | 151 Ų | 151 | 145 Ų | 145 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -59.7 | 151.9 | 177.7 | -56.4 | 144.3 | 0 | 0 | 0 | 115.1 | ||||
| 527 | L | 31.4 | Very low | 32.3 | Very low | 162 Ų | 162 | 145.3 Ų | 145.3 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | 164.2 | 170.2 | 101.5 | -108.1 | 160.3 | 0 | 0 | 0 | 114.6 | |||||
| 528 | S | 27.1 | Very low | 32.6 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | trans | 68.1 | 136.5 | 173.3 | -67.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 529 | G | 27.8 | Very low | 31.6 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | cis | -157.8 | -177.4 | 1.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 530 | G | 27.2 | Very low | 31.8 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | -80 | -169.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 531 | T | 31.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 145 Ų | 145 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | cis | -157.7 | 146.7 | 29.4 | -60.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 532 | K | 32.1 | Very low | 32.6 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -11.2 | 139.3 | 162.9 | -49.2 | 167 | -174 | 173.7 | 0 | 119 | ||||
| 533 | R | 33.1 | Very low | 33.5 | Very low | 246 Ų | 246 | 144.6 Ų | 144.6 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | -172.1 | 138.5 | 104.3 | -98.3 | 162.7 | -177.8 | 162.1 | 1 | 114 | |||||
| 534 | N | 35 | Very low | 33.6 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -107.5 | -177.8 | 164.3 | -94.6 | -22.9 | 0 | 0 | 0 | 107.1 | ||||
| 535 | P | 46.7 | Very low | 33.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | cis | -149.9 | 173.9 | 21.8 | 40 | -17.8 | 0 | 0 | 0 | 118.9 | ||||
| 536 | R | 28.1 | Very low | 34.2 | Very low | 245 Ų | 245 | 145.4 Ų | 145.4 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | 177 | 152.9 | 111.7 | -96.9 | -176.4 | 179 | -170.9 | -0.4 | 113.2 | |||||
| 537 | S | 35.1 | Very low | 34.4 | Very low | 111 Ų | 111 | 145.6 Ų | 145.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -127 | 161.3 | 173.9 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 538 | P | 43.7 | Very low | 35.1 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | -140.8 | 172.4 | 123 | 37.8 | -26.1 | 0 | 0 | 0 | 111.9 | |||||
| 539 | Q | 31.6 | Very low | 35.1 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | -167 | 156.8 | -32.1 | -178.4 | 171.1 | 15.2 | 0 | 0 | 105.9 | F541 | Q539-F541 HydrophobicContact CG-CE2 4.49Š| ||
| 540 | A | 34.8 | Very low | 35.3 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 74% | 0.744 | 79% | 0.793 | S | S | * | * | trans | -140.6 | 139.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 541 | F | 32 | Very low | 35.4 | Very low | 182 Ų | 182 | 151.9 Ų | 151.9 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -146.1 | 162 | 171.6 | -81.1 | -58.9 | 0 | 0 | 0 | 110.1 | Q539 | Q539-F541 HydrophobicContact CG-CE2 4.49Š| ||
| 542 | P | 43.5 | Very low | 35.2 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -122.6 | -142.5 | -139.3 | 44 | -26.9 | 0 | 0 | 0 | 113.6 | ||||
| 543 | P | 46 | Very low | 35.2 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | -119.2 | 151.3 | -124.4 | 32.4 | -11.4 | 0 | 0 | 0 | 116.8 | |||||
| 544 | A | 31.9 | Very low | 35 | Very low | 107 Ų | 107 | 151 Ų | 151 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -96.2 | 161.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 545 | K | 34.8 | Very low | 34.8 | Very low | 197 Ų | 197 | 152.3 Ų | 152.3 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -122.6 | 142.3 | -169.7 | -72.6 | 176.2 | -179.7 | 167.9 | 0 | 113.9 | ||||
| 546 | K | 34.2 | Very low | 34.2 | Very low | 188 Ų | 188 | 153.1 Ų | 153.1 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 74.3 | 125.5 | 143.9 | -79.7 | -174.6 | 176.3 | -173.8 | 0 | 122.2 | ||||
| 547 | Q | 34.1 | Very low | 34.1 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | 83.8 | 159.6 | 133.1 | -64 | -60 | 20.5 | 0 | 0 | 120.5 | ||||
| 548 | P | 46.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -129.3 | 171.2 | -140 | 44.4 | -30 | 0 | 0 | 0 | 116.1 | ||||
| 549 | F | 27.2 | Very low | 33.1 | Very low | 185 Ų | 185 | 147.1 Ų | 147.1 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -152.1 | 130.1 | 172.3 | 17.2 | -92.3 | 0 | 0 | 0 | 114.6 | ||||
| 550 | T | 32.1 | Very low | 32.9 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | 45.9 | 136.7 | 122 | -43.7 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 551 | I | 30.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -86 | 134.9 | 168.9 | -62.4 | 164.1 | 0 | 0 | 0 | 109.4 | ||||
| 552 | H | 26.4 | Very low | 32.3 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | trans | -111.9 | 140.8 | 169.1 | -75.7 | -95.4 | 0 | 0 | 0 | 111.4 | ||||
| 553 | E | 32.8 | Very low | 31.5 | Very low | 187 Ų | 187 | 143.7 Ų | 143.7 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -109.6 | 114.6 | 170.7 | -178.6 | 172.3 | -147.5 | 0 | 0 | 107.8 | K555 | E553-K555 PolarHBondContact O-N 2.78Š| ||
| 554 | E | 28.3 | Very low | 30.7 | Very low | 195 Ų | 195 | 144.1 Ų | 144.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -77.9 | 118.9 | -176.7 | -70.3 | -173.1 | 150.6 | 0 | 0 | 111.5 | ||||
| 555 | K | 31 | Very low | 30.5 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -126 | 121.5 | 174.9 | -178.4 | -176.1 | 177.5 | -172.8 | 0 | 108.7 | E553 | E553-K555 PolarHBondContact O-N 2.78Š| ||
| 556 | P | 33.8 | Very low | 30.1 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -75.5 | 128.1 | -177.6 | 29.1 | -33.8 | 0 | 0 | 0 | 112.4 | ||||
| 557 | T | 26.2 | Very low | 29.9 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 165.8 | 154.3 | 36.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 558 | S | 29.7 | Very low | 29.8 | Very low | 105 Ų | 105 | 138.2 Ų | 138.2 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | cis | -159.4 | 152.3 | 7.6 | 36.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 559 | S | 27.3 | Very low | 28.9 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -174.2 | 100.8 | 130.2 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 560 | D | 28.3 | Very low | 29 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | trans | 49.4 | 154.5 | 138.1 | -50.7 | -24.2 | 0 | 0 | 0 | 125.4 | ||||
| 561 | C | 26.3 | Very low | 28.8 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | 72.1 | 91 | 159.6 | -73.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 562 | S | 27.2 | Very low | 28.7 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | 64.9 | 102.8 | 119.9 | 63.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 563 | S | 26.8 | Very low | 29.9 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 89.7 | 158.2 | 118.3 | 81.3 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 564 | V | 28.6 | Very low | 30.3 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | 81.6 | 113.1 | 160 | -177 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 565 | R | 28.4 | Very low | 30.4 | Very low | 226 Ų | 226 | 136.7 Ų | 136.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 30.5 | 122 | 142.5 | -72.6 | -174.2 | 169 | -177.7 | -3.2 | 123.9 | ||||
| 566 | S | 27 | Very low | 30.2 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | 58.2 | 145.7 | 123.4 | 72.6 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 567 | S | 30.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 156.4 | 152.6 | 47.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 568 | S | 32.1 | Very low | 29.9 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | -165 | 158.3 | -24.7 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 569 | W | 27.4 | Very low | 29.8 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 65.9 | 129.3 | 159 | -69.1 | -6.4 | 0 | 0 | 0 | 122.7 | ||||
| 570 | K | 29.1 | Very low | 29.9 | Very low | 155 Ų | 155 | 135.4 Ų | 135.4 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | trans | 39.6 | 121.9 | 133.3 | -49.7 | 172.3 | -177.3 | 174.2 | 0 | 120.3 | ||||
| 571 | H | 27.3 | Very low | 29.7 | Very low | 176 Ų | 176 | 135.2 Ų | 135.2 | 82% | 0.815 | 76% | 0.759 | S | S | * | * | 177.7 | 173.3 | 98.4 | -98.3 | -80.4 | 0 | 0 | 0 | 112.3 | |||||
| 572 | L | 28.3 | Very low | 30 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | trans | -150.4 | 166.8 | 177.8 | -72.8 | 172.2 | 0 | 0 | 0 | 108 | ||||
| 573 | P | 52.8 | Low | 30 | Very low | 107 Ų | 107 | 141 Ų | 141 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -119.9 | -169 | -42.3 | 38.2 | -22.5 | 0 | 0 | 0 | 110.5 | ||||
| 574 | P | 40 | Very low | 30.2 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | -152.5 | 143.7 | 101.5 | 37.1 | -18.3 | 0 | 0 | 0 | 118.7 | |||||
| 575 | I | 30.1 | Very low | 30.7 | Very low | 142 Ų | 142 | 142.3 Ų | 142.3 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | trans | 16.4 | 120.4 | 134.8 | -57.6 | 179.5 | 0 | 0 | 0 | 121 | ||||
| 576 | L | 27.8 | Very low | 30.7 | Very low | 155 Ų | 155 | 143 Ų | 143 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | trans | 54.1 | 156.1 | 147.5 | -56.1 | 171.3 | 0 | 0 | 0 | 119.6 | ||||
| 577 | T | 26.6 | Very low | 31.1 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | cis | -144.1 | 179.5 | 10.7 | -25.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 578 | S | 26.8 | Very low | 31.2 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -56.5 | 148.4 | -175.5 | 53.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 579 | T | 27.6 | Very low | 32 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -142.5 | 148.8 | 132.6 | -52.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 580 | V | 28.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | -128.5 | 126.3 | 178.7 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 581 | N | 25.3 | Very low | 35.1 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | -158 | 120.4 | 143 | -97.9 | -30.5 | 0 | 0 | 0 | 106.5 | ||||
| 582 | L | 31.9 | Very low | 37.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 63.1 | 75.3 | 71.4 | -83 | 167.7 | 0 | 0 | 0 | 114.1 | |||||
| 583 | Q | 26.4 | Very low | 40.1 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 91% | 0.907 | 72% | 0.719 | S | S | * | * | -133 | 137.3 | 125.5 | -108.5 | 176.8 | -5.6 | 0 | 0 | 109.5 | |||||
| 584 | E | 30.9 | Very low | 41.7 | Very low | 172 Ų | 172 | 127.2 Ų | 127.2 | 80% | 0.804 | 70% | 0.695 | S | S | * | * | trans | -65.9 | 166.8 | 165.7 | -83.4 | -154.9 | 163.9 | 0 | 0 | 110.6 | ||||
| 585 | P | 40 | Very low | 44 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | cis | -140.2 | -174.2 | 21.6 | 22.4 | 5.2 | 0 | 0 | 0 | 115.4 | ||||
| 586 | W | 27.9 | Very low | 46.7 | Very low | 241 Ų | 241 | 119.8 Ų | 119.8 | 91% | 0.913 | 65% | 0.651 | S | S | * | * | 174.6 | 143.7 | 118.9 | -90.1 | 17.9 | 0 | 0 | 0 | 113.8 | S588 | W586-S588 PolarHBondContact O-N 3.33Å; W586-S588 VanDerWaalsContact O-N 3.13Å | |||
| 587 | K | 34.9 | Very low | 49.1 | Very low | 221 Ų | 221 | 122.2 Ų | 122.2 | 96% | 0.961 | 65% | 0.654 | S | S | * | * | trans | -82.9 | 83.1 | -173.1 | -64.4 | 175.5 | -179.1 | 174.7 | 0 | 112.4 | ||||
| 588 | S | 33.5 | Very low | 51.8 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 64% | 0.635 | S | S | * | * | trans | -150 | 112.5 | 165.1 | -155.3 | 0 | 0 | 0 | 0 | 112.5 | W586 K590 | W586-S588 PolarHBondContact O-N 3.33Å; W586-S588 VanDerWaalsContact O-N 3.13Å; S588-K590 PolarHBondContact O-N 2.91Å | ||
| 589 | G | 48.8 | Very low | 54.3 | Low | 88 Ų | 88 | 116.8 Ų | 116.8 | 91% | 0.907 | 63% | 0.63 | S | S | * | * | trans | -73 | 43 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | M591 | G589-M591 PolarHBondContact O-N 2.82Š| ||
| 590 | K | 54.6 | Low | 57 | Low | 178 Ų | 178 | 117.2 Ų | 117.2 | 77% | 0.774 | 62% | 0.615 | S | S | * | * | trans | -76.8 | 89.3 | -177.8 | -68.7 | 179.6 | -178.1 | 175 | 0 | 110.6 | S588 T592 | S588-K590 PolarHBondContact O-N 2.91Å; K590-T592 PolarHBondContact O-N 2.66Å; K590-T592 VanDerWaalsContact O-N 3.13Å | ||
| 591 | M | 66.3 | Low | 59.8 | Low | 48 Ų | 48 | 118.5 Ų | 118.5 | 24% | 0.236 | 61% | 0.608 | C | S | . | * | trans | -55.4 | 113.3 | 177.7 | -172.7 | 80.5 | 82.8 | 0 | 0 | 111.8 | G589 P593 Y619 Q643 | G589-M591 PolarHBondContact O-N 2.82Å; M591-P593 WeakPolarHBondContact O-CD 3.36Å; M591-Y619 PolarHBondContact O-OH 3.36Å; M591-Q643 HydrophobicContact CE-CG 3.73Å | ||
| 592 | T | 77.1 | Confident | 63 | Low | 99 Ų | 99 | 111.7 Ų | 111.7 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 121.8 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | K590 | K590-T592 PolarHBondContact O-N 2.66Å; K590-T592 VanDerWaalsContact O-N 3.13Å |
| 593 | P | 84.1 | Confident | 65.8 | Low | 36 Ų | 36 | 110.8 Ų | 110.8 | 23% | 0.234 | 56% | 0.562 | C | S | . | * | P | Polyproline II helix | trans | -61.1 | 133.7 | -177.2 | -23.2 | 31.7 | 0 | 0 | 0 | 112.1 | M591 R601 S602 Y619 | M591-P593 WeakPolarHBondContact O-CD 3.36Å; P593-R601 HydrophobicContact CB-CG 3.95Å; P593-R601 VanDerWaalsContact O-CG 3.3Å; P593-R601 WeakPolarHBondContact O-CG 3.47Å; P593-R601 PolarHBondContact O-NH1 3.39Å; P593-S602 VanDerWaalsContact CB-O 3.22Å; P593-S602 WeakPolarHBondContact CB-O 3.43Å; P593-Y619 HydrophobicContact CB-CD1 3.85Å; P593-Y619 HydrophobicContact CB-CE1 3.59Å; P593-Y619 HydrophobicContact CG-CE1 3.96Å |
| 594 | P | 87.1 | Confident | 68.8 | Low | 29 Ų | 29 | 107.3 Ų | 107.3 | 19% | 0.188 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 162.3 | -178.3 | 28.7 | -36.6 | 0 | 0 | 0 | 112.3 | S602 Y619 Y635 L642 | P594-S602 WeakPolarHBondContact CD-OG 3.44Å; P594-S602 VanDerWaalsContact O-CB 3.32Å; P594-S602 WeakPolarHBondContact O-CB 3.26Å; P594-S602 PolarHBondContact O-N 2.86Å; P594-S602 PolarHBondContact O-OG 3.12Å; P594-Y619 HydrophobicContact CG-CG 4.37Å; P594-Y635 HydrophobicContact CG-CE1 4.34Å; P594-Y635 VanDerWaalsContact CG-OH 3.22Å; P594-Y635 WeakPolarHBondContact CG-OH 3.48Å; P594-L642 HydrophobicContact CB-CD2 4.4Å; P594-L642 HydrophobicContact CG-CD1 3.83Å; P594-L642 HydrophobicContact CG-CD2 4.15Å |
| 595 | L | 87.2 | Confident | 71.5 | Confident | 99 Ų | 99 | 101.9 Ų | 101.9 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -78 | 144.2 | 172.5 | -56.3 | -176.4 | 0 | 0 | 0 | 111.1 | R601 | L595-R601 HydrophobicContact CD2-CB 4.03Å; L595-R601 HydrophobicContact CD2-CG 4.36Å |
| 596 | C | 87 | Confident | 73.9 | Confident | 9 Ų | 9 | 101.4 Ų | 101.4 | 6% | 0.061 | 51% | 0.512 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 166.1 | 171.9 | -59.4 | 0 | 0 | 0 | 0 | 111 | C598 G599 R600 C621 Y635 | C596-C598 PolarHBondContact O-N 3.06Å; C596-G599 PolarHBondContact O-N 2.92Å; C596-R600 WeakPolarHBondContact CB-O 3.47Å; C596-R600 PolarHBondContact N-O 2.72Å; C596-R600 PolarHBondContact SG-O 3.41Å; C596-C621 VanDerWaalsContact SG-CA 3.58Å; C596-Y635 HydrophobicContact CB-CD1 4.29Å; C596-Y635 HydrophobicContact CB-CD2 4.4Å; C596-Y635 HydrophobicContact CB-CG 3.91Å; C596-Y635 WeakPolarHBondContact SG-CD1 3.34Å |
| 597 | K | 78.4 | Confident | 76.8 | Confident | 205 Ų | 205 | 91.1 Ų | 91.1 | 89% | 0.891 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9 | 174 | -65.1 | -166.3 | 176 | -167.9 | 0 | 114.6 | ||
| 598 | C | 82.4 | Confident | 79.1 | Confident | 53 Ų | 53 | 85 Ų | 85 | 36% | 0.358 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 21.7 | 173.4 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | C596 R600 C633 | C596-C598 PolarHBondContact O-N 3.06Å; C598-R600 PolarHBondContact O-N 2.76Å; C598-C633 HydrophobicContact CB-CB 3.78Å |
| 599 | G | 80.4 | Confident | 81.4 | Confident | 55 Ų | 55 | 87 Ų | 87 | 57% | 0.567 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 72.2 | -20.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116 | C596 | C596-G599 PolarHBondContact O-N 2.92Š|
| 600 | R | 83.9 | Confident | 82.3 | Confident | 153 Ų | 153 | 90 Ų | 90 | 58% | 0.577 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -73.4 | 144.8 | 179.3 | -60.4 | -168 | -175.4 | -174.9 | 0.8 | 111.9 | C596 C598 | C596-R600 WeakPolarHBondContact CB-O 3.47Å; C596-R600 PolarHBondContact N-O 2.72Å; C596-R600 PolarHBondContact SG-O 3.41Å; C598-R600 PolarHBondContact O-N 2.76Å |
| 601 | R | 88.5 | Confident | 83.4 | Confident | 139 Ų | 139 | 83.6 Ų | 83.6 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -66.3 | 136.1 | 174.5 | -164.9 | 174.7 | -60.7 | -75.8 | 6.6 | 110.9 | P593 L595 | P593-R601 HydrophobicContact CB-CG 3.95Å; P593-R601 VanDerWaalsContact O-CG 3.3Å; P593-R601 WeakPolarHBondContact O-CG 3.47Å; P593-R601 PolarHBondContact O-NH1 3.39Å; L595-R601 HydrophobicContact CD2-CB 4.03Å; L595-R601 HydrophobicContact CD2-CG 4.36Å |
| 602 | S | 90.9 | Very high | 84 | Confident | 7 Ų | 7 | 87.3 Ų | 87.3 | 5% | 0.049 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 152.7 | 179 | 59.1 | 0 | 0 | 0 | 0 | 112.7 | P593 P594 C620 | P593-S602 VanDerWaalsContact CB-O 3.22Å; P593-S602 WeakPolarHBondContact CB-O 3.43Å; P594-S602 WeakPolarHBondContact CD-OG 3.44Å; P594-S602 VanDerWaalsContact O-CB 3.32Å; P594-S602 WeakPolarHBondContact O-CB 3.26Å; P594-S602 PolarHBondContact O-N 2.86Å; P594-S602 PolarHBondContact O-OG 3.12Å; S602-C620 CarbonylContact C-O 3.53Å; S602-C620 VanDerWaalsContact CA-O 3.29Å; S602-C620 WeakPolarHBondContact CA-O 3.34Å; S602-C620 WeakPolarHBondContact CB-O 3.5Å |
| 603 | K | 90.4 | Very high | 84.2 | Confident | 126 Ų | 126 | 85.9 Ų | 85.9 | 55% | 0.548 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.9 | 172.9 | -172.6 | 173.2 | -177.4 | 177.4 | 0 | 109.8 | L605 Y619 C620 | K603-L605 HydrophobicContact CD-CD2 4.09Å; K603-L605 HydrophobicContact CG-CD2 4.19Å; K603-L605 HydrophobicContact CG-CG 4.3Å; K603-Y619 WeakPolarHBondContact O-CA 3.39Å; K603-C620 PolarHBondContact N-O 3.25Å; K603-C620 PolarHBondContact O-N 2.9Å |
| 604 | R | 90 | Very high | 84.3 | Confident | 121 Ų | 121 | 89.1 Ų | 89.1 | 46% | 0.457 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131.3 | 170.1 | -168.6 | -179.2 | -174.9 | -97.5 | -1.1 | 109.4 | V617 F618 Y619 E639 | R604-V617 HydrophobicContact CG-CG1 3.54Å; R604-F618 CarbonylContact C-O 3.59Å; R604-F618 WeakPolarHBondContact CA-O 3.39Å; R604-Y619 HydrophobicContact CB-CD1 3.93Å; R604-Y619 HydrophobicContact CB-CE1 3.68Å; R604-Y619 HydrophobicContact CG-CD1 4.36Å; R604-Y619 HydrophobicContact CG-CE1 3.87Å; R604-E639 IonicContact CZ-OE1 3.28Å; R604-E639 VanDerWaalsContact CZ-OE1 3.28Å; R604-E639 IonicContact CZ-OE2 2.98Å; R604-E639 IonicContact NE-OE1 2.73Å; R604-E639 PolarHBondContact NE-OE1 2.79Å; R604-E639 IonicContact NE-OE2 2.79Å; R604-E639 VanDerWaalsContact NH2-CD 3.29Å; R604-E639 IonicContact NH2-OE1 3.12Å; R604-E639 PolarHBondContact NH2-OE1 2.93Å; R604-E639 IonicContact NH2-OE2 3.76Å; R604-E639 PolarHBondContact NH2-OE2 3.29Å |
| 605 | L | 88.4 | Confident | 84.2 | Confident | 58 Ų | 58 | 89.9 Ų | 89.9 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 154.2 | -178.7 | -68.1 | 177.5 | 0 | 0 | 0 | 110.5 | K603 V617 F618 | K603-L605 HydrophobicContact CD-CD2 4.09Å; K603-L605 HydrophobicContact CG-CD2 4.19Å; K603-L605 HydrophobicContact CG-CG 4.3Å; L605-V617 WeakPolarHBondContact O-CA 3.37Å; L605-F618 HydrophobicContact CB-CD1 4.28Å; L605-F618 HydrophobicContact CB-CD2 4.34Å; L605-F618 HydrophobicContact CB-CE1 3.75Å; L605-F618 HydrophobicContact CB-CE2 3.83Å; L605-F618 HydrophobicContact CB-CZ 3.51Å; L605-F618 HydrophobicContact CD1-CE2 3.78Å; L605-F618 HydrophobicContact CD1-CZ 3.78Å; L605-F618 HydrophobicContact CG-CE2 4.38Å; L605-F618 HydrophobicContact CG-CZ 4.3Å; L605-F618 PolarHBondContact N-O 2.69Å; L605-F618 PolarHBondContact O-N 3.5Å |
| 606 | V | 90.4 | Very high | 84.4 | Confident | 83 Ų | 83 | 88.5 Ų | 88.5 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 141.1 | 177.5 | -168.2 | 0 | 0 | 0 | 0 | 109.1 | S608 G615 V617 | V606-S608 PolarHBondContact O-N 2.64Å; V606-G615 WeakPolarHBondContact CG1-O 3.24Å; V606-V617 HydrophobicContact CG2-CG2 4.32Å |
| 607 | V | 88.4 | Confident | 84.5 | Confident | 25 Ų | 25 | 89.1 Ų | 89.1 | 15% | 0.152 | 48% | 0.479 | C | S | . | . | trans | -76.2 | 104.4 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 110 | N609 N613 H614 G615 K616 F618 W638 | V607-N609 HydrophobicContact CG1-CB 4.21Å; V607-N613 VanDerWaalsContact CB-O 3.24Å; V607-N613 WeakPolarHBondContact CB-O 3.24Å; V607-H614 WeakPolarHBondContact O-CA 3.33Å; V607-G615 PolarHBondContact O-N 3.49Å; V607-K616 PolarHBondContact N-O 3.21Å; V607-F618 HydrophobicContact CG2-CD1 3.87Å; V607-F618 HydrophobicContact CG2-CE1 3.85Å; V607-W638 HydrophobicContact CG2-CH2 3.85Å; V607-W638 HydrophobicContact CG2-CZ3 3.83Å | ||
| 608 | S | 84.1 | Confident | 85.2 | Confident | 93 Ų | 93 | 81 Ų | 81 | 65% | 0.65 | 44% | 0.444 | S | S | * | . | trans | -75.7 | -25.2 | 172.1 | 51.9 | 0 | 0 | 0 | 0 | 113.5 | V606 N610 H614 | V606-S608 PolarHBondContact O-N 2.64Å; S608-N610 PolarHBondContact O-N 3.44Å; S608-H614 PolarHBondContact O-CE1 3.03Å; S608-H614 VanDerWaalsContact O-CE1 3.24Å; S608-H614 PolarHBondContact O-ND1 3.2Å | ||
| 609 | N | 80.9 | Confident | 85.7 | Confident | 124 Ų | 124 | 78.5 Ų | 78.5 | 66% | 0.663 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -64.2 | 129 | -176.6 | -70.7 | -19.2 | 0 | 0 | 0 | 112.6 | V607 G611 H614 | V607-N609 HydrophobicContact CG1-CB 4.21Å; N609-G611 PolarHBondContact O-N 3.22Å; N609-H614 WeakPolarHBondContact O-CB 3.15Å; N609-H614 PolarHBondContact O-ND1 3.01Å |
| 610 | N | 66.9 | Low | 86.1 | Confident | 151 Ų | 151 | 77.2 Ų | 77.2 | 81% | 0.807 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -66.3 | 112.4 | 179.3 | -67.2 | -1.1 | 0 | 0 | 0 | 111.5 | S608 H614 | S608-N610 PolarHBondContact O-N 3.44Å; N610-H614 PolarHBondContact OD1-ND1 3.21Å |
| 611 | G | 79.1 | Confident | 86.3 | Confident | 43 Ų | 43 | 70.3 Ų | 70.3 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 172.1 | -173.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N609 N613 H614 | N609-G611 PolarHBondContact O-N 3.22Å; G611-N613 PolarHBondContact O-N 2.85Å; G611-H614 WeakPolarHBondContact O-CB 3.2Å; G611-H614 PolarHBondContact O-N 3.38Å |
| 612 | P | 78.1 | Confident | 85.9 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 82% | 0.818 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -5.2 | -172.9 | -24.2 | 34.9 | 0 | 0 | 0 | 116.5 | K616 | P612-K616 PolarHBondContact O-NZ 3Š|
| 613 | N | 81.8 | Confident | 85.2 | Confident | 68 Ų | 68 | 69.7 Ų | 69.7 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 8.1 | 176.5 | -64.9 | -33 | 0 | 0 | 0 | 112.9 | V607 G611 G615 K616 W638 | V607-N613 VanDerWaalsContact CB-O 3.24Å; V607-N613 WeakPolarHBondContact CB-O 3.24Å; G611-N613 PolarHBondContact O-N 2.85Å; N613-G615 PolarHBondContact O-N 2.89Å; N613-K616 HydrophobicContact CB-CD 4.04Å; N613-K616 VanDerWaalsContact O-CB 3.26Å; N613-K616 WeakPolarHBondContact O-CB 3.48Å; N613-K616 PolarHBondContact O-N 2.94Å; N613-K616 WeakPolarHBondContact OD1-CD 3.33Å; N613-K616 PolarHBondContact OD1-NZ 2.76Å; N613-W638 HydrophobicContact CB-CH2 4.08Å |
| 614 | H | 85.8 | Confident | 83.8 | Confident | 104 Ų | 104 | 66 Ų | 66 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 138.5 | 174 | -177.5 | 87.7 | 0 | 0 | 0 | 110.6 | V607 S608 N609 N610 G611 K616 | V607-H614 WeakPolarHBondContact O-CA 3.33Å; S608-H614 PolarHBondContact O-CE1 3.03Å; S608-H614 VanDerWaalsContact O-CE1 3.24Å; S608-H614 PolarHBondContact O-ND1 3.2Å; N609-H614 WeakPolarHBondContact O-CB 3.15Å; N609-H614 PolarHBondContact O-ND1 3.01Å; N610-H614 PolarHBondContact OD1-ND1 3.21Å; G611-H614 WeakPolarHBondContact O-CB 3.2Å; G611-H614 PolarHBondContact O-N 3.38Å; H614-K616 PolarHBondContact O-N 2.84Å; H614-K616 VanDerWaalsContact O-N 3.14Å |
| 615 | G | 85.8 | Confident | 82.3 | Confident | 45 Ų | 45 | 69.9 Ų | 69.9 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | -9.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V606 V607 N613 | V606-G615 WeakPolarHBondContact CG1-O 3.24Å; V607-G615 PolarHBondContact O-N 3.49Å; N613-G615 PolarHBondContact O-N 2.89Å |
| 616 | K | 90.3 | Very high | 80.2 | Confident | 71 Ų | 71 | 75.2 Ų | 75.2 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | -75.1 | 147.5 | 177.1 | -63.3 | -175 | -176.9 | 153.6 | 0 | 111.6 | V607 P612 N613 H614 W638 | V607-K616 PolarHBondContact N-O 3.21Å; P612-K616 PolarHBondContact O-NZ 3Å; N613-K616 HydrophobicContact CB-CD 4.04Å; N613-K616 VanDerWaalsContact O-CB 3.26Å; N613-K616 WeakPolarHBondContact O-CB 3.48Å; N613-K616 PolarHBondContact O-N 2.94Å; N613-K616 WeakPolarHBondContact OD1-CD 3.33Å; N613-K616 PolarHBondContact OD1-NZ 2.76Å; H614-K616 PolarHBondContact O-N 2.84Å; H614-K616 VanDerWaalsContact O-N 3.14Å; K616-W638 HydrophobicContact CB-CE3 4.16Å; K616-W638 HydrophobicContact CB-CZ3 3.8Å | ||
| 617 | V | 90.3 | Very high | 78.1 | Confident | 22 Ų | 22 | 77.9 Ų | 77.9 | 13% | 0.133 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.2 | -174.1 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | R604 L605 V606 E639 | R604-V617 HydrophobicContact CG-CG1 3.54Å; L605-V617 WeakPolarHBondContact O-CA 3.37Å; V606-V617 HydrophobicContact CG2-CG2 4.32Å; V617-E639 HydrophobicContact CB-CB 3.87Å; V617-E639 WeakPolarHBondContact CB-OE2 3.26Å; V617-E639 HydrophobicContact CG1-CB 3.97Å; V617-E639 HydrophobicContact CG1-CG 4.46Å; V617-E639 WeakPolarHBondContact CG1-OE2 3.24Å; V617-E639 PolarHBondContact O-N 2.98Å |
| 618 | F | 92.7 | Very high | 76.5 | Confident | 34 Ų | 34 | 83.8 Ų | 83.8 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 163.7 | 173.9 | 67.6 | -83.4 | 0 | 0 | 0 | 111.7 | R604 L605 V607 C620 F636 K637 W638 | R604-F618 CarbonylContact C-O 3.59Å; R604-F618 WeakPolarHBondContact CA-O 3.39Å; L605-F618 HydrophobicContact CB-CD1 4.28Å; L605-F618 HydrophobicContact CB-CD2 4.34Å; L605-F618 HydrophobicContact CB-CE1 3.75Å; L605-F618 HydrophobicContact CB-CE2 3.83Å; L605-F618 HydrophobicContact CB-CZ 3.51Å; L605-F618 HydrophobicContact CD1-CE2 3.78Å; L605-F618 HydrophobicContact CD1-CZ 3.78Å; L605-F618 HydrophobicContact CG-CE2 4.38Å; L605-F618 HydrophobicContact CG-CZ 4.3Å; L605-F618 PolarHBondContact N-O 2.69Å; L605-F618 PolarHBondContact O-N 3.5Å; V607-F618 HydrophobicContact CG2-CD1 3.87Å; V607-F618 HydrophobicContact CG2-CE1 3.85Å; F618-C620 HydrophobicContact CD2-CB 4.31Å; F618-C620 HydrophobicContact CE2-CB 4.2Å; F618-F636 HydrophobicContact CB-CE2 3.79Å; F618-F636 HydrophobicContact CB-CZ 3.88Å; F618-F636 HydrophobicContact CD1-CE2 4.47Å; F618-F636 AromaticContact CD2-CD2 3.76Å; F618-F636 HydrophobicContact CD2-CD2 3.76Å; F618-F636 AromaticContact CD2-CE2 3.32Å; F618-F636 HydrophobicContact CD2-CE2 3.32Å; F618-F636 HydrophobicContact CD2-CZ 4.25Å; F618-F636 HydrophobicContact CE2-CD2 4.32Å; F618-F636 AromaticContact CE2-CE2 3.94Å; F618-F636 HydrophobicContact CE2-CE2 3.94Å; F618-F636 HydrophobicContact CG-CD2 4.44Å; F618-F636 AromaticContact CG-CE2 3.62Å; F618-F636 HydrophobicContact CG-CE2 3.62Å; F618-F636 HydrophobicContact CG-CZ 4.13Å; F618-K637 CarbonylContact C-O 3.51Å; F618-K637 WeakPolarHBondContact CA-O 3.33Å; F618-W638 HydrophobicContact CB-CD2 4.33Å; F618-W638 HydrophobicContact CB-CE3 3.8Å; F618-W638 HydrophobicContact CB-CZ3 4.02Å; F618-W638 HydrophobicContact CD1-CZ3 4.19Å |
| 619 | Y | 92 | Very high | 75 | Confident | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.2 | 173.5 | -66.3 | -88.9 | 0 | 0 | 0 | 109 | M591 P593 P594 K603 R604 F636 K637 E639 L642 | M591-Y619 PolarHBondContact O-OH 3.36Å; P593-Y619 HydrophobicContact CB-CD1 3.85Å; P593-Y619 HydrophobicContact CB-CE1 3.59Å; P593-Y619 HydrophobicContact CG-CE1 3.96Å; P594-Y619 HydrophobicContact CG-CG 4.37Å; K603-Y619 WeakPolarHBondContact O-CA 3.39Å; R604-Y619 HydrophobicContact CB-CD1 3.93Å; R604-Y619 HydrophobicContact CB-CE1 3.68Å; R604-Y619 HydrophobicContact CG-CD1 4.36Å; R604-Y619 HydrophobicContact CG-CE1 3.87Å; Y619-F636 CarbonylContact O-C 3.55Å; Y619-F636 VanDerWaalsContact O-CA 3.31Å; Y619-F636 WeakPolarHBondContact O-CA 3.48Å; Y619-K637 PolarHBondContact N-O 2.98Å; Y619-K637 PolarHBondContact O-N 3.36Å; Y619-E639 HydrophobicContact CE2-CB 3.91Å; Y619-E639 HydrophobicContact CE2-CG 4.03Å; Y619-E639 PolarHBondContact OH-OE1 3.03Å; Y619-L642 HydrophobicContact CD2-CD1 3.39Å; Y619-L642 HydrophobicContact CE2-CD1 3.55Å; Y619-L642 HydrophobicContact CG-CD1 4.27Å |
| 620 | C | 89.8 | Confident | 73.9 | Confident | 29 Ų | 29 | 91.1 Ų | 91.1 | 20% | 0.196 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 163.9 | 173.7 | 74.6 | 0 | 0 | 0 | 0 | 112.6 | S602 K603 F618 Y635 | S602-C620 CarbonylContact C-O 3.53Å; S602-C620 VanDerWaalsContact CA-O 3.29Å; S602-C620 WeakPolarHBondContact CA-O 3.34Å; S602-C620 WeakPolarHBondContact CB-O 3.5Å; K603-C620 PolarHBondContact N-O 3.25Å; K603-C620 PolarHBondContact O-N 2.9Å; F618-C620 HydrophobicContact CD2-CB 4.31Å; F618-C620 HydrophobicContact CE2-CB 4.2Å; C620-Y635 VanDerWaalsContact CA-O 3.26Å; C620-Y635 WeakPolarHBondContact CA-O 3.31Å |
| 621 | C | 88 | Confident | 73.4 | Confident | 8 Ų | 8 | 94.3 Ų | 94.3 | 5% | 0.054 | 49% | 0.485 | C | S | . | . | trans | -62.2 | 136 | 168.3 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | C596 I623 C633 Y635 | C596-C621 VanDerWaalsContact SG-CA 3.58Å; C621-I623 VanDerWaalsContact C-N 3.27Å; C621-I623 PolarHBondContact O-N 3.47Å; C621-I623 PolarHBondContact SG-N 2.9Å; C621-C633 HydrophobicContact CB-CB 4.36Å; C621-C633 WeakPolarHBondContact CB-O 3.42Å; C621-Y635 PolarHBondContact N-O 2.95Å; C621-Y635 VanDerWaalsContact N-O 3.08Å | ||
| 622 | P | 80.3 | Confident | 72.9 | Confident | 75 Ų | 75 | 95.3 Ų | 95.3 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -70.9 | -21.1 | 172 | 28.4 | -34.9 | 0 | 0 | 0 | 113.1 | G624 | P622-G624 VanDerWaalsContact C-N 3.28Å; P622-G624 PolarHBondContact O-N 2.91Å |
| 623 | I | 75.1 | Confident | 72.8 | Confident | 57 Ų | 57 | 90.3 Ų | 90.3 | 29% | 0.292 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -80.3 | 80.3 | 169.4 | -43.1 | 170.5 | 0 | 0 | 0 | 108 | C621 | C621-I623 VanDerWaalsContact C-N 3.27Å; C621-I623 PolarHBondContact O-N 3.47Å; C621-I623 PolarHBondContact SG-N 2.9Å |
| 624 | G | 61 | Low | 72.7 | Confident | 49 Ų | 49 | 90.9 Ų | 90.9 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | trans | -60.8 | 166.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P622 Y626 | P622-G624 VanDerWaalsContact C-N 3.28Å; P622-G624 PolarHBondContact O-N 2.91Å; G624-Y626 PolarHBondContact O-N 2.83Å | ||
| 625 | K | 58.1 | Low | 72.8 | Confident | 202 Ų | 202 | 87.9 Ų | 87.9 | 88% | 0.878 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -63.1 | 98.2 | 175.6 | -66.3 | -176.1 | 178.7 | -172.3 | 0 | 110.8 | ||
| 626 | Y | 46.3 | Very low | 73 | Confident | 171 Ų | 171 | 90.7 Ų | 90.7 | 67% | 0.671 | 46% | 0.459 | S | S | * | . | trans | 171 | 110.8 | 131.2 | -155.7 | -99.1 | 0 | 0 | 0 | 110.5 | G624 E628 | G624-Y626 PolarHBondContact O-N 2.83Å; Y626-E628 HydrophobicContact CD1-CG 4.4Å; Y626-E628 HydrophobicContact CE1-CG 3.62Å; Y626-E628 VanDerWaalsContact CE1-OE1 3.24Å; Y626-E628 WeakPolarHBondContact CE1-OE1 3.1Å; Y626-E628 VanDerWaalsContact CZ-OE1 3.27Å; Y626-E628 PolarHBondContact OH-OE1 3.48Å | ||
| 627 | Q | 46.2 | Very low | 73 | Confident | 138 Ų | 138 | 89.8 Ų | 89.8 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | trans | -157.1 | 125.7 | 155.3 | -102.3 | -173.2 | -8.5 | 0 | 0 | 106.3 | N629 | Q627-N629 PolarHBondContact O-N 3.35Š| ||
| 628 | E | 53.3 | Low | 73.1 | Confident | 149 Ų | 149 | 92 Ų | 92 | 70% | 0.696 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.1 | -154.8 | -71.8 | 166.6 | 157.5 | 0 | 0 | 115.3 | Y626 | Y626-E628 HydrophobicContact CD1-CG 4.4Å; Y626-E628 HydrophobicContact CE1-CG 3.62Å; Y626-E628 VanDerWaalsContact CE1-OE1 3.24Å; Y626-E628 WeakPolarHBondContact CE1-OE1 3.1Å; Y626-E628 VanDerWaalsContact CZ-OE1 3.27Å; Y626-E628 PolarHBondContact OH-OE1 3.48Å |
| 629 | N | 52.6 | Low | 73 | Confident | 162 Ų | 162 | 91.5 Ų | 91.5 | 87% | 0.866 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | 23.2 | -176 | -80.7 | -53.7 | 0 | 0 | 0 | 115.5 | Q627 | Q627-N629 PolarHBondContact O-N 3.35Š|
| 630 | R | 58.3 | Low | 72.7 | Confident | 209 Ų | 209 | 97.3 Ų | 97.3 | 79% | 0.789 | 49% | 0.486 | S | S | * | . | S | Bend | trans | -139.8 | 141.1 | 173 | -69.2 | -168.2 | 178.1 | -164.1 | -0.7 | 114.9 | C632 | R630-C632 PolarHBondContact O-N 3.3Š|
| 631 | K | 57.5 | Low | 72.6 | Confident | 218 Ų | 218 | 98.7 Ų | 98.7 | 95% | 0.948 | 49% | 0.494 | S | S | * | . | trans | -56.7 | 105.7 | 177 | -69.8 | -179.1 | 178.3 | 176.9 | 0 | 111.1 | ||||
| 632 | C | 67.1 | Low | 72.4 | Confident | 65 Ų | 65 | 99.6 Ų | 99.6 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | trans | -70.4 | 128.4 | -178.5 | -71.9 | 0 | 0 | 0 | 0 | 112 | R630 G634 | R630-C632 PolarHBondContact O-N 3.3Å; C632-G634 PolarHBondContact O-N 3.41Å; C632-G634 VanDerWaalsContact O-N 3.16Å | ||
| 633 | C | 75.9 | Confident | 72.5 | Confident | 21 Ų | 21 | 100.5 Ų | 100.5 | 14% | 0.142 | 50% | 0.496 | C | S | . | . | trans | -83.4 | 94.1 | -180 | -171.7 | 0 | 0 | 0 | 0 | 111.5 | C598 C621 Y635 | C598-C633 HydrophobicContact CB-CB 3.78Å; C621-C633 HydrophobicContact CB-CB 4.36Å; C621-C633 WeakPolarHBondContact CB-O 3.42Å; C633-Y635 PolarHBondContact O-N 3.39Å | ||
| 634 | G | 80.1 | Confident | 72.9 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 83% | 0.825 | 51% | 0.512 | S | S | * | . | trans | -70.8 | 36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | C632 F636 | C632-G634 PolarHBondContact O-N 3.41Å; C632-G634 VanDerWaalsContact O-N 3.16Å; G634-F636 PolarHBondContact O-N 2.89Å | ||
| 635 | Y | 87.1 | Confident | 73.9 | Confident | 41 Ų | 41 | 106.4 Ų | 106.4 | 16% | 0.161 | 51% | 0.507 | C | S | . | . | trans | -68 | 126.6 | 177.4 | -177.8 | -89.9 | 0 | 0 | 0 | 111.1 | P594 C596 C620 C621 C633 K637 | P594-Y635 HydrophobicContact CG-CE1 4.34Å; P594-Y635 VanDerWaalsContact CG-OH 3.22Å; P594-Y635 WeakPolarHBondContact CG-OH 3.48Å; C596-Y635 HydrophobicContact CB-CD1 4.29Å; C596-Y635 HydrophobicContact CB-CD2 4.4Å; C596-Y635 HydrophobicContact CB-CG 3.91Å; C596-Y635 WeakPolarHBondContact SG-CD1 3.34Å; C620-Y635 VanDerWaalsContact CA-O 3.26Å; C620-Y635 WeakPolarHBondContact CA-O 3.31Å; C621-Y635 PolarHBondContact N-O 2.95Å; C621-Y635 VanDerWaalsContact N-O 3.08Å; C633-Y635 PolarHBondContact O-N 3.39Å; Y635-K637 HydrophobicContact CE1-CB 4.35Å | ||
| 636 | F | 90.9 | Very high | 74.7 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 135.4 | 175.7 | 175.5 | -85.9 | 0 | 0 | 0 | 109.6 | F618 Y619 G634 W638 | F618-F636 HydrophobicContact CB-CE2 3.79Å; F618-F636 HydrophobicContact CB-CZ 3.88Å; F618-F636 HydrophobicContact CD1-CE2 4.47Å; F618-F636 AromaticContact CD2-CD2 3.76Å; F618-F636 HydrophobicContact CD2-CD2 3.76Å; F618-F636 AromaticContact CD2-CE2 3.32Å; F618-F636 HydrophobicContact CD2-CE2 3.32Å; F618-F636 HydrophobicContact CD2-CZ 4.25Å; F618-F636 HydrophobicContact CE2-CD2 4.32Å; F618-F636 AromaticContact CE2-CE2 3.94Å; F618-F636 HydrophobicContact CE2-CE2 3.94Å; F618-F636 HydrophobicContact CG-CD2 4.44Å; F618-F636 AromaticContact CG-CE2 3.62Å; F618-F636 HydrophobicContact CG-CE2 3.62Å; F618-F636 HydrophobicContact CG-CZ 4.13Å; Y619-F636 CarbonylContact O-C 3.55Å; Y619-F636 VanDerWaalsContact O-CA 3.31Å; Y619-F636 WeakPolarHBondContact O-CA 3.48Å; G634-F636 PolarHBondContact O-N 2.89Å; F636-W638 HydrophobicContact CE1-CD2 4.36Å; F636-W638 AromaticContact CE1-CE2 3.84Å; F636-W638 HydrophobicContact CE1-CG 4.46Å; F636-W638 HydrophobicContact CE1-CZ2 4.26Å; F636-W638 AromaticContact CE1-NE1 3.64Å; F636-W638 HydrophobicContact CZ-CD2 4.16Å; F636-W638 AromaticContact CZ-CE2 3.69Å; F636-W638 HydrophobicContact CZ-CH2 4.22Å; F636-W638 AromaticContact CZ-CZ2 3.73Å; F636-W638 HydrophobicContact CZ-CZ2 3.73Å; F636-W638 AromaticContact CZ-NE1 3.99Å |
| 637 | K | 90.7 | Very high | 76.1 | Confident | 51 Ų | 51 | 98.7 Ų | 98.7 | 22% | 0.222 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 141.3 | 175.9 | -157.6 | 161.8 | -172.3 | 174.8 | 0 | 112.2 | F618 Y619 Y635 L642 E645 | F618-K637 CarbonylContact C-O 3.51Å; F618-K637 WeakPolarHBondContact CA-O 3.33Å; Y619-K637 PolarHBondContact N-O 2.98Å; Y619-K637 PolarHBondContact O-N 3.36Å; Y635-K637 HydrophobicContact CE1-CB 4.35Å; K637-L642 HydrophobicContact CB-CD1 4.44Å; K637-L642 HydrophobicContact CD-CD1 4.31Å; K637-L642 HydrophobicContact CD-CD2 3.88Å; K637-L642 HydrophobicContact CD-CG 3.88Å; K637-L642 HydrophobicContact CG-CD1 4.3Å; K637-L642 HydrophobicContact CG-CG 4.15Å; K637-E645 WeakPolarHBondContact CE-OE1 3.22Å; K637-E645 VanDerWaalsContact CE-OE2 3.31Å; K637-E645 WeakPolarHBondContact CE-OE2 3.31Å; K637-E645 IonicContact NZ-OE1 2.65Å; K637-E645 PolarHBondContact NZ-OE1 3.35Å; K637-E645 IonicContact NZ-OE2 2.6Å; K637-E645 PolarHBondContact NZ-OE2 2.65Å |
| 638 | W | 92.6 | Very high | 77.1 | Confident | 69 Ų | 69 | 97.6 Ų | 97.6 | 26% | 0.261 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 145.5 | 174.4 | -64.3 | 104.1 | 0 | 0 | 0 | 111.3 | V607 N613 K616 F618 F636 Q640 T641 L642 | V607-W638 HydrophobicContact CG2-CH2 3.85Å; V607-W638 HydrophobicContact CG2-CZ3 3.83Å; N613-W638 HydrophobicContact CB-CH2 4.08Å; K616-W638 HydrophobicContact CB-CE3 4.16Å; K616-W638 HydrophobicContact CB-CZ3 3.8Å; F618-W638 HydrophobicContact CB-CD2 4.33Å; F618-W638 HydrophobicContact CB-CE3 3.8Å; F618-W638 HydrophobicContact CB-CZ3 4.02Å; F618-W638 HydrophobicContact CD1-CZ3 4.19Å; F636-W638 HydrophobicContact CE1-CD2 4.36Å; F636-W638 AromaticContact CE1-CE2 3.84Å; F636-W638 HydrophobicContact CE1-CG 4.46Å; F636-W638 HydrophobicContact CE1-CZ2 4.26Å; F636-W638 AromaticContact CE1-NE1 3.64Å; F636-W638 HydrophobicContact CZ-CD2 4.16Å; F636-W638 AromaticContact CZ-CE2 3.69Å; F636-W638 HydrophobicContact CZ-CH2 4.22Å; F636-W638 AromaticContact CZ-CZ2 3.73Å; F636-W638 HydrophobicContact CZ-CZ2 3.73Å; F636-W638 AromaticContact CZ-NE1 3.99Å; W638-Q640 VanDerWaalsContact C-N 3.29Å; W638-Q640 PolarHBondContact O-N 3.12Å; W638-T641 WeakPolarHBondContact O-CB 3.41Å; W638-T641 PolarHBondContact O-N 2.94Å; W638-T641 VanDerWaalsContact O-N 3.11Å; W638-L642 PolarHBondContact O-N 3.34Å |
| 639 | E | 89.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 94.9 Ų | 94.9 | 11% | 0.107 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.6 | -175.1 | 166.7 | -109.6 | 0 | 0 | 111.8 | R604 V617 Y619 T641 L642 Q643 | R604-E639 IonicContact CZ-OE1 3.28Å; R604-E639 VanDerWaalsContact CZ-OE1 3.28Å; R604-E639 IonicContact CZ-OE2 2.98Å; R604-E639 IonicContact NE-OE1 2.73Å; R604-E639 PolarHBondContact NE-OE1 2.79Å; R604-E639 IonicContact NE-OE2 2.79Å; R604-E639 VanDerWaalsContact NH2-CD 3.29Å; R604-E639 IonicContact NH2-OE1 3.12Å; R604-E639 PolarHBondContact NH2-OE1 2.93Å; R604-E639 IonicContact NH2-OE2 3.76Å; R604-E639 PolarHBondContact NH2-OE2 3.29Å; V617-E639 HydrophobicContact CB-CB 3.87Å; V617-E639 WeakPolarHBondContact CB-OE2 3.26Å; V617-E639 HydrophobicContact CG1-CB 3.97Å; V617-E639 HydrophobicContact CG1-CG 4.46Å; V617-E639 WeakPolarHBondContact CG1-OE2 3.24Å; V617-E639 PolarHBondContact O-N 2.98Å; Y619-E639 HydrophobicContact CE2-CB 3.91Å; Y619-E639 HydrophobicContact CE2-CG 4.03Å; Y619-E639 PolarHBondContact OH-OE1 3.03Å; E639-T641 VanDerWaalsContact C-N 3.27Å; E639-T641 PolarHBondContact O-N 3.43Å; E639-L642 PolarHBondContact O-N 3.07Å; E639-L642 VanDerWaalsContact O-N 3.17Å; E639-Q643 WeakPolarHBondContact O-CG 3.46Å; E639-Q643 PolarHBondContact O-N 2.92Å |
| 640 | Q | 86 | Confident | 77.3 | Confident | 123 Ų | 123 | 94 Ų | 94 | 58% | 0.575 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -33.2 | 174.8 | -66.5 | 179.4 | -38.3 | 0 | 0 | 113.1 | W638 K644 | W638-Q640 VanDerWaalsContact C-N 3.29Å; W638-Q640 PolarHBondContact O-N 3.12Å; Q640-K644 PolarHBondContact O-N 3.11Å; Q640-K644 VanDerWaalsContact O-N 3.07Å |
| 641 | T | 87.4 | Confident | 76.4 | Confident | 58 Ų | 58 | 89.5 Ų | 89.5 | 36% | 0.356 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.6 | -42.9 | 176.4 | -50 | 0 | 0 | 0 | 0 | 111 | W638 E639 K644 E645 | W638-T641 WeakPolarHBondContact O-CB 3.41Å; W638-T641 PolarHBondContact O-N 2.94Å; W638-T641 VanDerWaalsContact O-N 3.11Å; E639-T641 VanDerWaalsContact C-N 3.27Å; E639-T641 PolarHBondContact O-N 3.43Å; T641-K644 PolarHBondContact O-N 3.3Å; T641-E645 WeakPolarHBondContact O-CG 3.4Å; T641-E645 PolarHBondContact O-N 2.73Å |
| 642 | L | 83.8 | Confident | 75.6 | Confident | 26 Ų | 26 | 84.9 Ų | 84.9 | 14% | 0.136 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -67 | -37.4 | 176.9 | -73 | 155.2 | 0 | 0 | 0 | 112.1 | P594 Y619 K637 W638 E639 R646 | P594-L642 HydrophobicContact CB-CD2 4.4Å; P594-L642 HydrophobicContact CG-CD1 3.83Å; P594-L642 HydrophobicContact CG-CD2 4.15Å; Y619-L642 HydrophobicContact CD2-CD1 3.39Å; Y619-L642 HydrophobicContact CE2-CD1 3.55Å; Y619-L642 HydrophobicContact CG-CD1 4.27Å; K637-L642 HydrophobicContact CB-CD1 4.44Å; K637-L642 HydrophobicContact CD-CD1 4.31Å; K637-L642 HydrophobicContact CD-CD2 3.88Å; K637-L642 HydrophobicContact CD-CG 3.88Å; K637-L642 HydrophobicContact CG-CD1 4.3Å; K637-L642 HydrophobicContact CG-CG 4.15Å; W638-L642 PolarHBondContact O-N 3.34Å; E639-L642 PolarHBondContact O-N 3.07Å; E639-L642 VanDerWaalsContact O-N 3.17Å; L642-R646 WeakPolarHBondContact O-CB 3.32Å; L642-R646 PolarHBondContact O-N 2.77Å |
| 643 | Q | 82.2 | Confident | 74.1 | Confident | 95 Ų | 95 | 86.8 Ų | 86.8 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 172.8 | -73.4 | 168.5 | -21.7 | 0 | 0 | 111.3 | M591 E639 R646 A647 | M591-Q643 HydrophobicContact CE-CG 3.73Å; E639-Q643 WeakPolarHBondContact O-CG 3.46Å; E639-Q643 PolarHBondContact O-N 2.92Å; Q643-R646 PolarHBondContact O-N 3.35Å; Q643-A647 PolarHBondContact O-N 3.17Å |
| 644 | K | 83.6 | Confident | 72.1 | Confident | 143 Ų | 143 | 94.6 Ų | 94.6 | 62% | 0.622 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.3 | -42.2 | 177.6 | -171.2 | 171.2 | -177.6 | 176.4 | 0 | 112.6 | Q640 T641 R646 A647 N648 | Q640-K644 PolarHBondContact O-N 3.11Å; Q640-K644 VanDerWaalsContact O-N 3.07Å; T641-K644 PolarHBondContact O-N 3.3Å; K644-R646 VanDerWaalsContact C-N 3.31Å; K644-R646 PolarHBondContact O-N 3.27Å; K644-A647 PolarHBondContact O-N 2.94Å; K644-N648 WeakPolarHBondContact O-CB 3.35Å; K644-N648 PolarHBondContact O-N 3.08Å; K644-N648 PolarHBondContact O-OD1 3.04Å; K644-N648 VanDerWaalsContact O-OD1 3.12Å |
| 645 | E | 82 | Confident | 69.8 | Low | 86 Ų | 86 | 95.7 Ų | 95.7 | 40% | 0.402 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 174.5 | -74.7 | 167.7 | -176.9 | 0 | 0 | 112 | K637 T641 N648 S649 | K637-E645 WeakPolarHBondContact CE-OE1 3.22Å; K637-E645 VanDerWaalsContact CE-OE2 3.31Å; K637-E645 WeakPolarHBondContact CE-OE2 3.31Å; K637-E645 IonicContact NZ-OE1 2.65Å; K637-E645 PolarHBondContact NZ-OE1 3.35Å; K637-E645 IonicContact NZ-OE2 2.6Å; K637-E645 PolarHBondContact NZ-OE2 2.65Å; T641-E645 WeakPolarHBondContact O-CG 3.4Å; T641-E645 PolarHBondContact O-N 2.73Å; E645-N648 PolarHBondContact O-N 3.5Å; E645-S649 PolarHBondContact O-N 2.93Å; E645-S649 VanDerWaalsContact O-N 3.11Å; E645-S649 PolarHBondContact O-OG 2.59Å |
| 646 | R | 75.6 | Confident | 67.3 | Low | 147 Ų | 147 | 100.9 Ų | 100.9 | 56% | 0.555 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.5 | -38.6 | 178.4 | -169.8 | 172.9 | -179 | 177.6 | -0.2 | 112.6 | L642 Q643 K644 S649 M650 | L642-R646 WeakPolarHBondContact O-CB 3.32Å; L642-R646 PolarHBondContact O-N 2.77Å; Q643-R646 PolarHBondContact O-N 3.35Å; K644-R646 VanDerWaalsContact C-N 3.31Å; K644-R646 PolarHBondContact O-N 3.27Å; R646-S649 WeakPolarHBondContact CA-OG 3.32Å; R646-S649 PolarHBondContact O-N 2.81Å; R646-S649 PolarHBondContact O-OG 3.03Å; R646-M650 PolarHBondContact O-N 3.4Å |
| 647 | A | 74.8 | Confident | 64.3 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q643 K644 S649 M650 | Q643-A647 PolarHBondContact O-N 3.17Å; K644-A647 PolarHBondContact O-N 2.94Å; A647-S649 PolarHBondContact O-N 3.43Å; A647-M650 PolarHBondContact O-N 3.13Å |
| 648 | N | 68.4 | Low | 61.3 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.8 | -15.6 | 178 | -75.7 | 29.9 | 0 | 0 | 0 | 114.4 | K644 E645 | K644-N648 WeakPolarHBondContact O-CB 3.35Å; K644-N648 PolarHBondContact O-N 3.08Å; K644-N648 PolarHBondContact O-OD1 3.04Å; K644-N648 VanDerWaalsContact O-OD1 3.12Å; E645-N648 PolarHBondContact O-N 3.5Å |
| 649 | S | 59.1 | Low | 58.3 | Low | 91 Ų | 91 | 104.1 Ų | 104.1 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 11.4 | 178.1 | 42.6 | 0 | 0 | 0 | 0 | 113.3 | E645 R646 A647 | E645-S649 PolarHBondContact O-N 2.93Å; E645-S649 VanDerWaalsContact O-N 3.11Å; E645-S649 PolarHBondContact O-OG 2.59Å; R646-S649 WeakPolarHBondContact CA-OG 3.32Å; R646-S649 PolarHBondContact O-N 2.81Å; R646-S649 PolarHBondContact O-OG 3.03Å; A647-S649 PolarHBondContact O-N 3.43Å |
| 650 | M | 51.5 | Low | 55.3 | Low | 145 Ų | 145 | 109.6 Ų | 109.6 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | trans | -117.2 | 67.1 | 168.3 | -67.3 | -168.6 | 72.3 | 0 | 0 | 110.5 | R646 A647 | R646-M650 PolarHBondContact O-N 3.4Å; A647-M650 PolarHBondContact O-N 3.13Å | ||
| 651 | V | 39.6 | Very low | 52.6 | Low | 114 Ų | 114 | 113 Ų | 113 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -119 | 123.6 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 652 | P | 40.2 | Very low | 49.8 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | trans | -68.6 | 138.6 | -178.6 | -19.9 | 32.8 | 0 | 0 | 0 | 112.8 | ||||
| 653 | S | 35.2 | Very low | 47.1 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | trans | -105.8 | 98.6 | 178.4 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 654 | H | 34 | Very low | 45.3 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -148.9 | 161.4 | 170.1 | -84.7 | -64.7 | 0 | 0 | 0 | 113 | ||||
| 655 | S | 32.3 | Very low | 42.6 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 55.2 | 89.6 | 172.2 | 58.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 656 | T | 33.7 | Very low | 40 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | 27.5 | 126.3 | 108.3 | -42 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 657 | G | 28.6 | Very low | 37.7 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | trans | 149.5 | 119.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 658 | G | 28.1 | Very low | 35.5 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 76% | 0.762 | S | S | * | * | trans | -134.7 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 659 | V | 29.1 | Very low | 33.6 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 100 | 174.6 | -166.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 660 | T | 26.7 | Very low | 32.1 | Very low | 139 Ų | 139 | 131.8 Ų | 131.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | -167.8 | 154.1 | 115.2 | 14.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 661 | F | 29.5 | Very low | 30.9 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -85 | 147.4 | 167.5 | -85.5 | -113.1 | 0 | 0 | 0 | 109.9 | ||||
| 662 | N | 27.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | 177.4 | 148.6 | 117 | -87.9 | -18.6 | 0 | 0 | 0 | 113.7 | |||||
| 663 | S | 28.5 | Very low | 30.2 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -97.1 | 159.9 | 155.2 | -139.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 664 | P | 43.5 | Very low | 30.1 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -150.8 | 169.5 | 46.6 | 42.1 | -21.2 | 0 | 0 | 0 | 119.4 | ||||
| 665 | E | 26.4 | Very low | 29.7 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | 64.1 | 151.1 | 141.1 | -79.9 | -172.7 | 120.7 | 0 | 0 | 125.2 | ||||
| 666 | M | 27.7 | Very low | 29.6 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | 63.8 | 145.5 | 164.6 | -70.4 | 177.1 | 62.5 | 0 | 0 | 118.8 | ||||
| 667 | S | 27.6 | Very low | 29.3 | Very low | 71 Ų | 71 | 137.9 Ų | 137.9 | 50% | 0.497 | 78% | 0.782 | S | S | . | * | cis | -168.8 | 156.5 | -20.3 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 668 | H | 28.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | trans | 63.2 | 159.4 | 166.3 | -57.9 | -61.1 | 0 | 0 | 0 | 116.5 | ||||
| 669 | I | 27.7 | Very low | 29.8 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | cis | -143.5 | 164.2 | -10.8 | -125.1 | 161.4 | 0 | 0 | 0 | 109.5 | ||||
| 670 | C | 28.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -4.1 | 134.7 | 173.3 | -57.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 671 | D | 26.2 | Very low | 31 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -141.8 | 151 | 120.8 | -152.3 | -7.6 | 0 | 0 | 0 | 112.4 | |||||
| 672 | R | 36.4 | Very low | 32 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -113.1 | 58.4 | -155.4 | -163.9 | -174.4 | -172.1 | 173.7 | 4.3 | 112.8 | L674 | R672-L674 PolarHBondContact O-N 2.81Š| ||
| 673 | N | 28 | Very low | 33.5 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -78.8 | 120.6 | -176.3 | -88.5 | -68.5 | 0 | 0 | 0 | 113.8 | S675 | N673-S675 PolarHBondContact O-N 3.19Š| ||
| 674 | L | 33.1 | Very low | 34.9 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -72.5 | 106.5 | -177.6 | -151.3 | 80.6 | 0 | 0 | 0 | 110.5 | R672 I676 | R672-L674 PolarHBondContact O-N 2.81Å; L674-I676 PolarHBondContact O-N 3.42Å | ||
| 675 | S | 25.4 | Very low | 35.9 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 69% | 0.685 | S | S | * | * | trans | -71.1 | 90.5 | 177.7 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | N673 S677 | N673-S675 PolarHBondContact O-N 3.19Å; S675-S677 VanDerWaalsContact C-N 3.31Å; S675-S677 PolarHBondContact O-N 3.37Å | ||
| 676 | I | 32 | Very low | 37.2 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 75% | 0.749 | 66% | 0.661 | S | S | * | * | trans | -63.1 | 96.1 | 168.5 | -62.1 | 178.3 | 0 | 0 | 0 | 107.6 | L674 T678 | L674-I676 PolarHBondContact O-N 3.42Å; I676-T678 PolarHBondContact O-N 3.19Å | ||
| 677 | S | 26 | Very low | 38.3 | Very low | 102 Ų | 102 | 117.5 Ų | 117.5 | 71% | 0.713 | 62% | 0.623 | S | S | * | * | trans | -56.8 | 103.9 | 179 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | S675 K679 | S675-S677 VanDerWaalsContact C-N 3.31Å; S675-S677 PolarHBondContact O-N 3.37Å; S677-K679 PolarHBondContact O-N 2.93Å | ||
| 678 | T | 32.3 | Very low | 39.7 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | trans | -64.4 | 101.2 | 172.8 | 48.1 | 0 | 0 | 0 | 0 | 107.3 | I676 N680 | I676-T678 PolarHBondContact O-N 3.19Å; T678-N680 VanDerWaalsContact C-N 3.33Å; T678-N680 PolarHBondContact O-N 3.35Å | ||
| 679 | K | 35 | Very low | 41.3 | Very low | 197 Ų | 197 | 112.3 Ų | 112.3 | 86% | 0.857 | 59% | 0.586 | S | S | * | * | trans | -57.3 | 95.2 | 179 | -72.1 | -171 | 174.6 | -171.7 | 0 | 110.3 | S677 S681 | S677-K679 PolarHBondContact O-N 2.93Å; K679-S681 VanDerWaalsContact C-N 3.31Å; K679-S681 PolarHBondContact O-N 3.28Å | ||
| 680 | N | 34.9 | Very low | 42.2 | Very low | 150 Ų | 150 | 111.3 Ų | 111.3 | 80% | 0.802 | 58% | 0.582 | S | S | * | * | trans | -54.2 | 104.2 | 151.9 | -83.5 | -25.1 | 0 | 0 | 0 | 105.7 | T678 L682 | T678-N680 VanDerWaalsContact C-N 3.33Å; T678-N680 PolarHBondContact O-N 3.35Å; N680-L682 PolarHBondContact O-N 3.13Å | ||
| 681 | S | 45.5 | Very low | 42.9 | Very low | 101 Ų | 101 | 111.1 Ų | 111.1 | 71% | 0.706 | 57% | 0.572 | S | S | * | * | trans | -65.2 | 109.6 | 178.8 | 46.1 | 0 | 0 | 0 | 0 | 107.9 | K679 R683 | K679-S681 VanDerWaalsContact C-N 3.31Å; K679-S681 PolarHBondContact O-N 3.28Å; S681-R683 PolarHBondContact O-N 3.33Å; S681-R683 VanDerWaalsContact O-N 3.15Å | ||
| 682 | L | 51.4 | Low | 43.7 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | trans | -45 | 123.9 | 179.1 | -55.4 | 175 | 0 | 0 | 0 | 108.2 | N48 N680 L684 | N48-L682 VanDerWaalsContact OD1-CD2 3.27Å; N48-L682 WeakPolarHBondContact OD1-CD2 3.22Å; N680-L682 PolarHBondContact O-N 3.13Å; L682-L684 HydrophobicContact CB-CD1 3.9Å; L682-L684 HydrophobicContact CB-CD2 4.22Å; L682-L684 HydrophobicContact CB-CG 3.68Å; L682-L684 HydrophobicContact CD1-CD1 4.12Å; L682-L684 PolarHBondContact O-N 3.01Å | ||
| 683 | R | 58.8 | Low | 44.1 | Very low | 161 Ų | 161 | 102.1 Ų | 102.1 | 61% | 0.608 | 54% | 0.542 | S | S | * | . | trans | -78.8 | 26.5 | -168.3 | -74.1 | -173.3 | 172.5 | 179.2 | 2.1 | 113.6 | G50 K51 S681 | G50-R683 VanDerWaalsContact O-CZ 3.3Å; G50-R683 PolarHBondContact O-NH1 2.69Å; K51-R683 PolarHBondContact O-NH1 3.11Å; S681-R683 PolarHBondContact O-N 3.33Å; S681-R683 VanDerWaalsContact O-N 3.15Å | ||
| 684 | L | 58.8 | Low | 45.1 | Very low | 21 Ų | 21 | 99.5 Ų | 99.5 | 11% | 0.11 | 53% | 0.528 | C | S | . | . | trans | -58.7 | 153.5 | -174.7 | -48.9 | -177.9 | 0 | 0 | 0 | 111.8 | F92 L96 L682 M688 R689 | F92-L684 HydrophobicContact CE1-CD2 3.55Å; F92-L684 HydrophobicContact CZ-CD1 4.3Å; F92-L684 HydrophobicContact CZ-CD2 3.51Å; L96-L684 HydrophobicContact CD2-CD1 4.42Å; L96-L684 HydrophobicContact CD2-CD2 4.36Å; L682-L684 HydrophobicContact CB-CD1 3.9Å; L682-L684 HydrophobicContact CB-CD2 4.22Å; L682-L684 HydrophobicContact CB-CG 3.68Å; L682-L684 HydrophobicContact CD1-CD1 4.12Å; L682-L684 PolarHBondContact O-N 3.01Å; L684-M688 HydrophobicContact CB-CB 3.77Å; L684-M688 WeakPolarHBondContact CB-O 3.29Å; L684-M688 HydrophobicContact CD1-CB 4.29Å; L684-M688 WeakPolarHBondContact CD1-O 3.49Å; L684-R689 HydrophobicContact CB-CG 4.33Å; L684-R689 PolarHBondContact O-NE 2.82Å; L684-R689 PolarHBondContact O-NH2 2.91Å | ||
| 685 | R | 64.4 | Low | 45.8 | Very low | 22 Ų | 22 | 95.6 Ų | 95.6 | 8% | 0.083 | 51% | 0.508 | C | S | . | . | trans | -65.3 | 165.6 | 175.7 | 67.8 | -166.8 | -171.6 | 158.6 | 26.4 | 111.4 | D41 F42 E43 S44 W155 S687 M688 | D41-R685 IonicContact OD1-NH2 3.21Å; F42-R685 PolarHBondContact O-NH1 2.7Å; F42-R685 PolarHBondContact O-NH2 3.49Å; E43-R685 IonicContact OE1-CZ 3.97Å; E43-R685 IonicContact OE1-NH2 2.66Å; E43-R685 PolarHBondContact OE1-NH2 3.05Å; E43-R685 IonicContact OE2-CZ 3.5Å; E43-R685 VanDerWaalsContact OE2-CZ 3.23Å; E43-R685 IonicContact OE2-NE 3.63Å; E43-R685 IonicContact OE2-NH1 2.73Å; E43-R685 PolarHBondContact OE2-NH1 2.89Å; E43-R685 IonicContact OE2-NH2 3.63Å; E43-R685 PolarHBondContact OE2-NH2 2.86Å; E43-R685 VanDerWaalsContact OE2-NH2 3.1Å; S44-R685 PolarHBondContact OG-NH1 2.84Å; W155-R685 HydrophobicContact CD2-CB 4.26Å; W155-R685 HydrophobicContact CG-CB 4.42Å; R685-S687 VanDerWaalsContact C-N 3.31Å; R685-S687 PolarHBondContact NE-OG 2.6Å; R685-S687 VanDerWaalsContact NE-OG 3.11Å; R685-S687 PolarHBondContact NH2-OG 3.31Å; R685-S687 PolarHBondContact O-N 3.03Å; R685-M688 HydrophobicContact CG-CB 4.02Å; R685-M688 HydrophobicContact CG-CG 3.85Å; R685-M688 HydrophobicContact CG-SD 3.68Å; R685-M688 PolarHBondContact NE-SD 2.94Å; R685-M688 VanDerWaalsContact NE-SD 3.39Å; R685-M688 CarbonylContact O-C 3.45Å; R685-M688 PolarHBondContact O-N 2.83Å | ||
| 686 | P | 53.6 | Low | 47.2 | Very low | 48 Ų | 48 | 94.5 Ų | 94.5 | 31% | 0.312 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -69.3 | -15.5 | -169.2 | -22.9 | 35.9 | 0 | 0 | 0 | 117.1 | R183 | R183-P686 PolarHBondContact NH1-O 3.16Š|
| 687 | S | 50.1 | Low | 48.3 | Very low | 6 Ų | 6 | 90.9 Ų | 90.9 | 4% | 0.042 | 47% | 0.471 | C | S | . | . | S | Bend | trans | -73.7 | -55.7 | 168.5 | 47.1 | 0 | 0 | 0 | 0 | 111 | R685 R689 | R685-S687 VanDerWaalsContact C-N 3.31Å; R685-S687 PolarHBondContact NE-OG 2.6Å; R685-S687 VanDerWaalsContact NE-OG 3.11Å; R685-S687 PolarHBondContact NH2-OG 3.31Å; R685-S687 PolarHBondContact O-N 3.03Å; S687-R689 PolarHBondContact O-N 3.04Å |
| 688 | M | 57.3 | Low | 50 | Low | 2 Ų | 2 | 90 Ų | 90 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -63 | 44.4 | 172.7 | -64.2 | 171 | 167.4 | 0 | 0 | 115.2 | E43 L96 T97 L684 R685 | E43-M688 WeakPolarHBondContact OE2-CE 3.38Å; L96-M688 HydrophobicContact CD2-CB 4.37Å; L96-M688 HydrophobicContact CD2-CE 3.6Å; L96-M688 HydrophobicContact CD2-CG 3.92Å; L96-M688 HydrophobicContact CD2-SD 3.45Å; L96-M688 WeakPolarHBondContact CD2-SD 3.37Å; L96-M688 HydrophobicContact CG-CE 4.41Å; T97-M688 HydrophobicContact CG2-CE 4.18Å; L684-M688 HydrophobicContact CB-CB 3.77Å; L684-M688 WeakPolarHBondContact CB-O 3.29Å; L684-M688 HydrophobicContact CD1-CB 4.29Å; L684-M688 WeakPolarHBondContact CD1-O 3.49Å; R685-M688 HydrophobicContact CG-CB 4.02Å; R685-M688 HydrophobicContact CG-CG 3.85Å; R685-M688 HydrophobicContact CG-SD 3.68Å; R685-M688 PolarHBondContact NE-SD 2.94Å; R685-M688 VanDerWaalsContact NE-SD 3.39Å; R685-M688 CarbonylContact O-C 3.45Å; R685-M688 PolarHBondContact O-N 2.83Å |
| 689 | R | 62.5 | Low | 51.5 | Low | 129 Ų | 129 | 87.6 Ų | 87.6 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | trans | -144.8 | 95.3 | 176.8 | -70.9 | -174.7 | -163.7 | -172.8 | 4.7 | 112.2 | G196 L684 S687 | G196-R689 WeakPolarHBondContact CA-O 3.08Å; G196-R689 PolarHBondContact N-O 2.93Å; L684-R689 HydrophobicContact CB-CG 4.33Å; L684-R689 PolarHBondContact O-NE 2.82Å; L684-R689 PolarHBondContact O-NH2 2.91Å; S687-R689 PolarHBondContact O-N 3.04Å | ||
| 690 | N | 45.4 | Very low | 53 | Low | 126 Ų | 126 | 77.6 Ų | 77.6 | 67% | 0.674 | 39% | 0.39 | S | S | * | . | trans | -60 | 0 | 175.9 | -35.4 | 60.4 | 0 | 0 | 0 | 113.6 | K195 E212 | K195-N690 WeakPolarHBondContact CB-OXT 3.3Å; E212-N690 PolarHBondContact OE2-ND2 3.13Å |
Retrieved 690 of 690 residues in 719.7 ms
(Link to these results)