| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 42.9 | Very low | 233 Ų | 233 | 144.3 Ų | 144.3 | 100% | 1.148 | 80% | 0.8 | S | S | * | * | 0 | 90.7 | 0 | -169 | 174.5 | 164.2 | 0 | 0 | 106.6 | V3 | M1-V3 PolarHBondContact O-N 3.02Š| |||
| 2 | A | 41.5 | Very low | 43.7 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -84.7 | 110.4 | 179 | 0 | 0 | 0 | 0 | 0 | 107.6 | V4 | A2-V4 PolarHBondContact O-N 2.87Š| ||
| 3 | V | 42.5 | Very low | 44.5 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -73.3 | 106.6 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 105.8 | M1 E5 | M1-V3 PolarHBondContact O-N 3.02Å; V3-E5 PolarHBondContact O-N 3.02Å; V3-E5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | V | 44.6 | Very low | 45.4 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 100.2 | 170.6 | 171.7 | 0 | 0 | 0 | 0 | 106.6 | A2 K6 | A2-V4 PolarHBondContact O-N 2.87Å; V4-K6 PolarHBondContact O-N 3.15Å; V4-K6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | E | 40.2 | Very low | 46.1 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -61.6 | 110.9 | 168.1 | -73 | -178.7 | 166 | 0 | 0 | 108 | V3 S7 | V3-E5 PolarHBondContact O-N 3.02Å; V3-E5 VanDerWaalsContact O-N 3.1Å; E5-S7 PolarHBondContact O-N 3.07Å | ||
| 6 | K | 42.5 | Very low | 46.9 | Very low | 190 Ų | 190 | 144.8 Ų | 144.8 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -67 | 105.9 | 169.4 | -68.9 | -167.5 | 179.5 | -176.2 | 0 | 107.2 | V4 T8 | V4-K6 PolarHBondContact O-N 3.15Å; V4-K6 VanDerWaalsContact O-N 3.13Å; K6-T8 PolarHBondContact O-N 3.46Å | ||
| 7 | S | 39.3 | Very low | 48 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -51.7 | 107.7 | 171.3 | 38.5 | 0 | 0 | 0 | 0 | 109.3 | E5 M9 | E5-S7 PolarHBondContact O-N 3.07Å; S7-M9 PolarHBondContact O-N 2.99Å | ||
| 8 | T | 41.8 | Very low | 49.3 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -76.2 | 83 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 106.7 | K6 S10 | K6-T8 PolarHBondContact O-N 3.46Å; T8-S10 PolarHBondContact O-N 3.32Å; T8-S10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | M | 40.7 | Very low | 50.3 | Low | 155 Ų | 155 | 138.9 Ų | 138.9 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | trans | -66.4 | 114.5 | 169.2 | -86.6 | -166.6 | 49.8 | 0 | 0 | 108.3 | S7 K11 | S7-M9 PolarHBondContact O-N 2.99Å; M9-K11 VanDerWaalsContact C-N 3.31Å; M9-K11 PolarHBondContact O-N 2.88Å | ||
| 10 | S | 43.8 | Very low | 51.7 | Low | 115 Ų | 115 | 140.9 Ų | 140.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 85.5 | 175.6 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | T8 | T8-S10 PolarHBondContact O-N 3.32Å; T8-S10 VanDerWaalsContact O-N 3.16Å | ||
| 11 | K | 52.2 | Low | 52.9 | Low | 135 Ų | 135 | 138.4 Ų | 138.4 | 59% | 0.587 | 75% | 0.754 | S | S | * | * | trans | -79.6 | 125.6 | 156.4 | -75.9 | -176.9 | 177.4 | -178.2 | 0 | 106.6 | M9 F13 | M9-K11 VanDerWaalsContact C-N 3.31Å; M9-K11 PolarHBondContact O-N 2.88Å; K11-F13 WeakPolarHBondContact O-CD2 3.28Å; K11-F13 PolarHBondContact O-N 2.9Å | ||
| 12 | E | 53.1 | Low | 54.6 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | trans | -57.4 | 99.2 | 176.5 | -70.9 | -177.3 | 153.8 | 0 | 0 | 109.2 | H14 | E12-H14 PolarHBondContact O-N 3.48Š| ||
| 13 | F | 53.6 | Low | 56.6 | Low | 123 Ų | 123 | 135.6 Ų | 135.6 | 54% | 0.539 | 72% | 0.722 | S | S | . | * | trans | -73.4 | 117.2 | 167.3 | -73.5 | -88 | 0 | 0 | 0 | 106.7 | K11 V15 | K11-F13 WeakPolarHBondContact O-CD2 3.28Å; K11-F13 PolarHBondContact O-N 2.9Å; F13-V15 HydrophobicContact CB-CG2 3.75Å; F13-V15 PolarHBondContact O-N 3.21Å | ||
| 14 | H | 57.2 | Low | 58.6 | Low | 172 Ų | 172 | 138.2 Ų | 138.2 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | -68 | 81.9 | 161 | -71.9 | -64.6 | 0 | 0 | 0 | 108.4 | E12 H16 | E12-H14 PolarHBondContact O-N 3.48Å; H14-H16 PolarHBondContact O-N 2.72Å | ||
| 15 | V | 55.7 | Low | 60.6 | Low | 98 Ų | 98 | 137.8 Ų | 137.8 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | trans | -78.2 | 98.8 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 106.5 | F13 | F13-V15 HydrophobicContact CB-CG2 3.75Å; F13-V15 PolarHBondContact O-N 3.21Å | ||
| 16 | H | 59.4 | Low | 62.7 | Low | 157 Ų | 157 | 134.5 Ų | 134.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -57.2 | 146.1 | 160.8 | -80 | -78.1 | 0 | 0 | 0 | 108.7 | H14 G18 G19 | H14-H16 PolarHBondContact O-N 2.72Å; H16-G18 PolarHBondContact O-N 2.63Å; H16-G19 PolarHBondContact O-N 3.42Å | ||
| 17 | Q | 65.3 | Low | 64.8 | Low | 207 Ų | 207 | 131.3 Ų | 131.3 | 97% | 0.967 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 113.7 | 179.7 | -63.4 | -165.8 | -2.1 | 0 | 0 | 110 | ||
| 18 | G | 71.4 | Confident | 67.3 | Low | 77 Ų | 77 | 129.3 Ų | 129.3 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.9 | 8.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H16 | H16-G18 PolarHBondContact O-N 2.63Š|
| 19 | G | 69.4 | Low | 69.6 | Low | 39 Ų | 39 | 127.4 Ų | 127.4 | 40% | 0.402 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -75.5 | 144.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | H16 | H16-G19 PolarHBondContact O-N 3.42Š|
| 20 | F | 77.2 | Confident | 72.2 | Confident | 178 Ų | 178 | 127.5 Ų | 127.5 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 140.6 | 169.8 | -61.4 | -86.2 | 0 | 0 | 0 | 109.8 | F22 | F20-F22 PolarHBondContact O-N 2.78Š|
| 21 | P | 76.9 | Confident | 74.7 | Confident | 89 Ų | 89 | 124.6 Ų | 124.6 | 58% | 0.578 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 121.5 | 173 | 27.7 | -32.7 | 0 | 0 | 0 | 109.6 | L23 | P21-L23 PolarHBondContact O-N 3.34Š|
| 22 | F | 79.1 | Confident | 76.8 | Confident | 142 Ų | 142 | 120.8 Ų | 120.8 | 62% | 0.623 | 64% | 0.638 | S | S | * | * | trans | -87 | 101.2 | 166.1 | -68.1 | -77.1 | 0 | 0 | 0 | 108.7 | F20 I25 | F20-F22 PolarHBondContact O-N 2.78Å; F22-I25 HydrophobicContact CB-CB 3.87Å; F22-I25 HydrophobicContact CB-CD1 3.85Å; F22-I25 HydrophobicContact CB-CG1 4.01Å; F22-I25 HydrophobicContact CD1-CD1 3.77Å; F22-I25 HydrophobicContact CG-CD1 3.99Å | ||
| 23 | L | 83.4 | Confident | 79 | Confident | 127 Ų | 127 | 116.1 Ų | 116.1 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 142.8 | 170.6 | -61.5 | 171.6 | 0 | 0 | 0 | 108.8 | P21 I25 | P21-L23 PolarHBondContact O-N 3.34Å; L23-I25 PolarHBondContact O-N 3.02Å; L23-I25 VanDerWaalsContact O-N 3.07Å |
| 24 | D | 83.7 | Confident | 81.1 | Confident | 175 Ų | 175 | 118 Ų | 118 | 94% | 0.936 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.8 | 8.7 | 177.6 | -48 | -49.1 | 0 | 0 | 0 | 116.2 | ||
| 25 | I | 86.4 | Confident | 83 | Confident | 113 Ų | 113 | 116 Ų | 116 | 58% | 0.579 | 63% | 0.625 | S | S | * | * | trans | -103.4 | 130.7 | 168.6 | -56.9 | -172.5 | 0 | 0 | 0 | 108.7 | F22 L23 | F22-I25 HydrophobicContact CB-CB 3.87Å; F22-I25 HydrophobicContact CB-CD1 3.85Å; F22-I25 HydrophobicContact CB-CG1 4.01Å; F22-I25 HydrophobicContact CD1-CD1 3.77Å; F22-I25 HydrophobicContact CG-CD1 3.99Å; L23-I25 PolarHBondContact O-N 3.02Å; L23-I25 VanDerWaalsContact O-N 3.07Å | ||
| 26 | E | 83.7 | Confident | 85.1 | Confident | 108 Ų | 108 | 113.3 Ų | 113.3 | 51% | 0.505 | 61% | 0.605 | S | S | . | * | trans | -130.5 | 134.5 | 178 | -174.2 | 174.7 | -145.2 | 0 | 0 | 109.9 | K98 | E26-K98 IonicContact OE1-NZ 2.6Å; E26-K98 PolarHBondContact OE1-NZ 3.45Å; E26-K98 IonicContact OE2-NZ 2.72Å; E26-K98 PolarHBondContact OE2-NZ 3.21Å | ||
| 27 | V | 87.7 | Confident | 86.9 | Confident | 123 Ų | 123 | 111.1 Ų | 111.1 | 75% | 0.745 | 60% | 0.595 | S | S | * | * | trans | -102.7 | 126.4 | 171.2 | 179.2 | 0 | 0 | 0 | 0 | 107.5 | P29 | V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.33Å | ||
| 28 | I | 90.9 | Very high | 88.5 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 33% | 0.328 | 57% | 0.573 | S | S | . | * | trans | -97.9 | 102.5 | 175.9 | -56.7 | 170.3 | 0 | 0 | 0 | 107 | F31 L94 | I28-F31 HydrophobicContact CB-CB 4.49Å; I28-F31 HydrophobicContact CD1-CD2 4.49Å; I28-F31 HydrophobicContact CG2-CB 4.23Å; I28-F31 HydrophobicContact CG2-CD2 4.05Å; I28-L94 HydrophobicContact CD1-CD1 3.96Å; I28-L94 HydrophobicContact CG2-CD1 4.27Å | ||
| 29 | P | 91.9 | Very high | 89.7 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 147.1 | 179.3 | 28.6 | -34.7 | 0 | 0 | 0 | 110.1 | V27 F31 | V27-P29 VanDerWaalsContact O-CD 3.31Å; V27-P29 WeakPolarHBondContact O-CD 3.33Å; P29-F31 PolarHBondContact O-N 3.11Å; P29-F31 VanDerWaalsContact O-N 3.17Å |
| 30 | N | 94.5 | Very high | 91.1 | Very high | 157 Ų | 157 | 103.1 Ų | 103.1 | 84% | 0.84 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.7 | 175.3 | -50 | -41.9 | 0 | 0 | 0 | 113 | I32 | N30-I32 PolarHBondContact O-N 3.25Š|
| 31 | F | 96 | Very high | 92.1 | Very high | 54 Ų | 54 | 98.2 Ų | 98.2 | 24% | 0.237 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -62.8 | -28.9 | 178.6 | -179 | -102.6 | 0 | 0 | 0 | 112.4 | I28 P29 L87 R90 L94 | I28-F31 HydrophobicContact CB-CB 4.49Å; I28-F31 HydrophobicContact CD1-CD2 4.49Å; I28-F31 HydrophobicContact CG2-CB 4.23Å; I28-F31 HydrophobicContact CG2-CD2 4.05Å; P29-F31 PolarHBondContact O-N 3.11Å; P29-F31 VanDerWaalsContact O-N 3.17Å; F31-L87 HydrophobicContact CD1-CD2 4.47Å; F31-L87 HydrophobicContact CE1-CD2 3.95Å; F31-R90 HydrophobicContact CD2-CG 4.47Å; F31-R90 HydrophobicContact CE2-CB 4.28Å; F31-R90 HydrophobicContact CE2-CG 3.67Å; F31-R90 HydrophobicContact CZ-CB 3.98Å; F31-R90 HydrophobicContact CZ-CG 3.85Å; F31-R90 WeakPolarHBondContact O-CD 3.37Å; F31-R90 PolarHBondContact O-NH1 3.25Å; F31-L94 HydrophobicContact CD2-CD1 3.86Å; F31-L94 HydrophobicContact CE2-CD1 3.62Å |
| 32 | I | 97.2 | Very high | 93.1 | Very high | 55 Ų | 55 | 99.3 Ų | 99.3 | 28% | 0.282 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -125.1 | 152.1 | 168 | 57.4 | 175.7 | 0 | 0 | 0 | 108.8 | N30 E36 E37 L40 F86 L87 | N30-I32 PolarHBondContact O-N 3.25Å; I32-E36 VanDerWaalsContact CA-OE2 3.25Å; I32-E36 WeakPolarHBondContact CA-OE2 3.41Å; I32-E36 HydrophobicContact CB-CB 4.13Å; I32-E37 HydrophobicContact CD1-CB 4.16Å; I32-L40 HydrophobicContact CD1-CD1 3.98Å; I32-L40 HydrophobicContact CG2-CD1 4.47Å; I32-F86 HydrophobicContact CG2-CE2 4.34Å; I32-L87 HydrophobicContact CG2-CD2 3.4Å |
| 33 | D | 97.5 | Very high | 93.9 | Very high | 81 Ų | 81 | 95.4 Ų | 95.4 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | trans | -93.1 | 172.8 | 170.9 | 69.6 | 50.2 | 0 | 0 | 0 | 112.3 | N35 E36 E37 | D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.17Å; D33-N35 WeakPolarHBondContact OD1-CA 3.49Å; D33-N35 WeakPolarHBondContact OD1-CB 3.5Å; D33-N35 PolarHBondContact OD1-N 3.43Å; D33-E36 PolarHBondContact N-OE2 3.2Å; D33-E36 PolarHBondContact O-N 3.33Å; D33-E36 WeakPolarHBondContact OD1-CG 3.43Å; D33-E36 PolarHBondContact OD1-N 3.28Å; D33-E37 PolarHBondContact O-N 3.48Å | ||
| 34 | E | 98.3 | Very high | 94.6 | Very high | 163 Ų | 163 | 91.8 Ų | 91.8 | 76% | 0.762 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.7 | -32.3 | -177.4 | -64.1 | -180 | -179.5 | 0 | 0 | 113.1 | A38 | E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.19Å |
| 35 | N | 98.2 | Very high | 95.2 | Very high | 131 Ų | 131 | 88.4 Ų | 88.4 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.4 | -40.4 | 178.3 | -59.8 | -56.1 | 0 | 0 | 0 | 110.6 | D33 E37 A38 M39 | D33-N35 VanDerWaalsContact C-N 3.28Å; D33-N35 PolarHBondContact O-N 3.17Å; D33-N35 WeakPolarHBondContact OD1-CA 3.49Å; D33-N35 WeakPolarHBondContact OD1-CB 3.5Å; D33-N35 PolarHBondContact OD1-N 3.43Å; N35-E37 VanDerWaalsContact C-N 3.34Å; N35-A38 PolarHBondContact O-N 3.38Å; N35-M39 WeakPolarHBondContact O-CB 3.31Å; N35-M39 PolarHBondContact O-N 3.01Å |
| 36 | E | 98.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 88.6 Ų | 88.6 | 19% | 0.187 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65 | -39.1 | 174.8 | -66.8 | -179.3 | 146.8 | 0 | 0 | 111.7 | I32 D33 L40 F86 R90 | I32-E36 VanDerWaalsContact CA-OE2 3.25Å; I32-E36 WeakPolarHBondContact CA-OE2 3.41Å; I32-E36 HydrophobicContact CB-CB 4.13Å; D33-E36 PolarHBondContact N-OE2 3.2Å; D33-E36 PolarHBondContact O-N 3.33Å; D33-E36 WeakPolarHBondContact OD1-CG 3.43Å; D33-E36 PolarHBondContact OD1-N 3.28Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 3.44Å; E36-F86 HydrophobicContact CB-CE2 4.4Å; E36-F86 HydrophobicContact CB-CZ 4.29Å; E36-F86 HydrophobicContact CG-CE2 4.3Å; E36-R90 IonicContact OE1-CZ 2.63Å; E36-R90 IonicContact OE1-NH1 2.72Å; E36-R90 PolarHBondContact OE1-NH1 2.88Å; E36-R90 IonicContact OE1-NH2 2.73Å; E36-R90 PolarHBondContact OE1-NH2 3.43Å; E36-R90 IonicContact OE2-CZ 3.46Å; E36-R90 IonicContact OE2-NH1 3.42Å; E36-R90 PolarHBondContact OE2-NH1 3.38Å; E36-R90 IonicContact OE2-NH2 2.63Å; E36-R90 PolarHBondContact OE2-NH2 2.99Å |
| 37 | E | 98.1 | Very high | 96.1 | Very high | 111 Ų | 111 | 86.5 Ų | 86.5 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 172.8 | -177 | 175.4 | -159.8 | 0 | 0 | 111.1 | I32 D33 N35 M39 L40 V41 | I32-E37 HydrophobicContact CD1-CB 4.16Å; D33-E37 PolarHBondContact O-N 3.48Å; N35-E37 VanDerWaalsContact C-N 3.34Å; E37-M39 PolarHBondContact O-N 3.41Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; E37-V41 WeakPolarHBondContact O-CG2 3.48Å; E37-V41 PolarHBondContact O-N 3.45Å |
| 38 | A | 98.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 86.5 Ų | 86.5 | 50% | 0.504 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E34 N35 L40 V41 E42 | E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 3.19Å; N35-A38 PolarHBondContact O-N 3.38Å; A38-L40 PolarHBondContact O-N 2.95Å; A38-V41 PolarHBondContact O-N 3.26Å; A38-E42 PolarHBondContact O-N 2.92Å |
| 39 | M | 98 | Very high | 96.5 | Very high | 77 Ų | 77 | 87.9 Ų | 87.9 | 38% | 0.379 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.5 | -179.2 | -141.9 | 63.6 | 0 | 0 | 111.6 | N35 E37 E42 E43 F86 | N35-M39 WeakPolarHBondContact O-CB 3.31Å; N35-M39 PolarHBondContact O-N 3.01Å; E37-M39 PolarHBondContact O-N 3.41Å; M39-E42 PolarHBondContact O-N 3.42Å; M39-E43 HydrophobicContact CG-CG 4.48Å; M39-E43 WeakPolarHBondContact O-CB 3.38Å; M39-E43 WeakPolarHBondContact O-CG 3.4Å; M39-E43 PolarHBondContact O-N 2.89Å; M39-F86 HydrophobicContact CE-CD1 4.43Å; M39-F86 HydrophobicContact CE-CE1 3.6Å; M39-F86 HydrophobicContact CE-CZ 4.06Å |
| 40 | L | 98 | Very high | 96.5 | Very high | 17 Ų | 17 | 85.9 Ų | 85.9 | 9% | 0.089 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 177.5 | -79.1 | 169.1 | 0 | 0 | 0 | 111.7 | I32 E36 E37 A38 E43 I44 Y83 F86 L87 | I32-L40 HydrophobicContact CD1-CD1 3.98Å; I32-L40 HydrophobicContact CG2-CD1 4.47Å; E36-L40 WeakPolarHBondContact O-CB 3.33Å; E36-L40 WeakPolarHBondContact O-CG 3.48Å; E36-L40 PolarHBondContact O-N 3.44Å; E37-L40 WeakPolarHBondContact O-CB 3.25Å; E37-L40 PolarHBondContact O-N 3.3Å; A38-L40 PolarHBondContact O-N 2.95Å; L40-E43 PolarHBondContact O-N 3.39Å; L40-I44 VanDerWaalsContact O-CB 3.29Å; L40-I44 WeakPolarHBondContact O-CB 3.45Å; L40-I44 WeakPolarHBondContact O-CD1 3.36Å; L40-I44 WeakPolarHBondContact O-CG1 3.18Å; L40-I44 PolarHBondContact O-N 3.04Å; L40-Y83 HydrophobicContact CD2-CD2 3.73Å; L40-Y83 HydrophobicContact CD2-CG 4.4Å; L40-F86 HydrophobicContact CD1-CZ 4.05Å; L40-F86 HydrophobicContact CD2-CE1 3.84Å; L40-F86 HydrophobicContact CD2-CZ 4.21Å; L40-F86 HydrophobicContact CG-CE1 4.22Å; L40-F86 HydrophobicContact CG-CZ 4.15Å; L40-L87 HydrophobicContact CD1-CD1 4.12Å; L40-L87 HydrophobicContact CD1-CD2 4.25Å; L40-L87 HydrophobicContact CD2-CD1 3.96Å |
| 41 | V | 97.5 | Very high | 96.3 | Very high | 76 Ų | 76 | 85 Ų | 85 | 46% | 0.461 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 177.1 | 172 | 0 | 0 | 0 | 0 | 110.4 | E37 A38 E43 I44 D45 | E37-V41 WeakPolarHBondContact O-CG2 3.48Å; E37-V41 PolarHBondContact O-N 3.45Å; A38-V41 PolarHBondContact O-N 3.26Å; V41-E43 PolarHBondContact O-N 2.96Å; V41-I44 PolarHBondContact O-N 3.33Å; V41-D45 WeakPolarHBondContact O-CB 3.29Å; V41-D45 PolarHBondContact O-N 3.21Å |
| 42 | E | 98 | Very high | 96 | Very high | 111 Ų | 111 | 83.7 Ų | 83.7 | 52% | 0.519 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 178.3 | -166.1 | -165.3 | 153.5 | 0 | 0 | 112.1 | A38 M39 D45 K46 | A38-E42 PolarHBondContact O-N 2.92Å; M39-E42 PolarHBondContact O-N 3.42Å; E42-D45 PolarHBondContact O-N 2.94Å; E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.39Å; E42-K46 WeakPolarHBondContact OE1-CE 3.31Å; E42-K46 IonicContact OE1-NZ 3.48Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å |
| 43 | E | 97.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 90.7 Ų | 90.7 | 28% | 0.28 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.9 | -34.9 | -179.1 | -74.3 | -59.8 | 121 | 0 | 0 | 113.2 | M39 L40 V41 K46 Q47 Y83 | M39-E43 HydrophobicContact CG-CG 4.48Å; M39-E43 WeakPolarHBondContact O-CB 3.38Å; M39-E43 WeakPolarHBondContact O-CG 3.4Å; M39-E43 PolarHBondContact O-N 2.89Å; L40-E43 PolarHBondContact O-N 3.39Å; V41-E43 PolarHBondContact O-N 2.96Å; E43-K46 WeakPolarHBondContact OE1-CD 3.32Å; E43-K46 IonicContact OE1-NZ 3.53Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; E43-Q47 WeakPolarHBondContact O-CG 3.2Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; E43-Q47 VanDerWaalsContact O-NE2 3.08Å; E43-Y83 HydrophobicContact CB-CD1 3.85Å; E43-Y83 HydrophobicContact CB-CG 4.04Å |
| 44 | I | 96.9 | Very high | 94.9 | Very high | 52 Ų | 52 | 90.4 Ų | 90.4 | 27% | 0.267 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 173.2 | -72.7 | 165 | 0 | 0 | 0 | 109.5 | L40 V41 K46 Q47 W49 Q59 Y83 | L40-I44 VanDerWaalsContact O-CB 3.29Å; L40-I44 WeakPolarHBondContact O-CB 3.45Å; L40-I44 WeakPolarHBondContact O-CD1 3.36Å; L40-I44 WeakPolarHBondContact O-CG1 3.18Å; L40-I44 PolarHBondContact O-N 3.04Å; V41-I44 PolarHBondContact O-N 3.33Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.17Å; I44-Q47 WeakPolarHBondContact O-CB 3.36Å; I44-Q47 PolarHBondContact O-N 3.16Å; I44-W49 HydrophobicContact CG2-CH2 4.23Å; I44-W49 HydrophobicContact CG2-CZ2 3.83Å; I44-Q59 PolarHBondContact O-NE2 2.6Å; I44-Y83 HydrophobicContact CD1-CE2 4.3Å; I44-Y83 HydrophobicContact CG1-CD2 4.39Å; I44-Y83 HydrophobicContact CG1-CE1 4.1Å; I44-Y83 HydrophobicContact CG1-CE2 3.73Å |
| 45 | D | 96.4 | Very high | 94.5 | Very high | 103 Ų | 103 | 85.3 Ų | 85.3 | 55% | 0.551 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.6 | -25.6 | -177.2 | -81.3 | -18.6 | 0 | 0 | 0 | 113.5 | V41 E42 Q47 | V41-D45 WeakPolarHBondContact O-CB 3.29Å; V41-D45 PolarHBondContact O-N 3.21Å; E42-D45 PolarHBondContact O-N 2.94Å; D45-Q47 VanDerWaalsContact C-N 3.25Å; D45-Q47 PolarHBondContact O-N 2.96Å |
| 46 | K | 95.9 | Very high | 94.2 | Very high | 117 Ų | 117 | 87.9 Ų | 87.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20.7 | 171.4 | -72.9 | 169.8 | -171.4 | 163.8 | 0 | 113.7 | E42 E43 I44 | E42-K46 WeakPolarHBondContact O-CG 3.49Å; E42-K46 PolarHBondContact O-N 3.39Å; E42-K46 WeakPolarHBondContact OE1-CE 3.31Å; E42-K46 IonicContact OE1-NZ 3.48Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å; E43-K46 WeakPolarHBondContact OE1-CD 3.32Å; E43-K46 IonicContact OE1-NZ 3.53Å; E43-K46 PolarHBondContact OE1-NZ 2.86Å; I44-K46 VanDerWaalsContact C-N 3.26Å; I44-K46 PolarHBondContact O-N 3.17Å |
| 47 | Q | 93.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 94.4 Ų | 94.4 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -79.2 | 155.9 | -177.8 | -49.9 | -56.4 | -55.8 | 0 | 0 | 112.2 | E43 I44 D45 W49 Y61 Y83 | E43-Q47 WeakPolarHBondContact O-CG 3.2Å; E43-Q47 PolarHBondContact O-NE2 3.4Å; E43-Q47 VanDerWaalsContact O-NE2 3.08Å; I44-Q47 WeakPolarHBondContact O-CB 3.36Å; I44-Q47 PolarHBondContact O-N 3.16Å; D45-Q47 VanDerWaalsContact C-N 3.25Å; D45-Q47 PolarHBondContact O-N 2.96Å; Q47-W49 PolarHBondContact O-N 3.42Å; Q47-Y61 WeakPolarHBondContact CG-OH 3.49Å; Q47-Y83 HydrophobicContact CG-CE1 3.93Å |
| 48 | T | 92 | Very high | 93.9 | Very high | 124 Ų | 124 | 93 Ų | 93 | 76% | 0.761 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 118.3 | 178.5 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 49 | W | 94.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 91.7 Ų | 91.7 | 35% | 0.352 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 136.7 | 172 | -65.8 | 84.9 | 0 | 0 | 0 | 111.4 | I44 Q47 R57 Q59 | I44-W49 HydrophobicContact CG2-CH2 4.23Å; I44-W49 HydrophobicContact CG2-CZ2 3.83Å; Q47-W49 PolarHBondContact O-N 3.42Å; W49-R57 HydrophobicContact CB-CB 4.14Å; W49-R57 HydrophobicContact CB-CG 4.49Å; W49-R57 HydrophobicContact CD2-CB 4.38Å; W49-R57 HydrophobicContact CE3-CB 3.77Å; W49-Q59 HydrophobicContact CD2-CG 4.05Å; W49-Q59 VanDerWaalsContact CE2-NE2 3.27Å; W49-Q59 HydrophobicContact CE3-CG 4.01Å; W49-Q59 HydrophobicContact CZ3-CG 4.34Å |
| 50 | V | 91.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 91.2 Ų | 91.2 | 34% | 0.339 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.4 | 175.2 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | R57 K58 | V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.32Å; V50-R57 WeakPolarHBondContact O-CA 3.43Å; V50-K58 HydrophobicContact CG2-CG 3.96Å; V50-K58 WeakPolarHBondContact CG2-O 3.21Å; V50-K58 PolarHBondContact N-O 2.94Å; V50-K58 PolarHBondContact O-N 3.37Å |
| 51 | L | 92 | Very high | 92.8 | Very high | 139 Ų | 139 | 94 Ų | 94 | 73% | 0.728 | 47% | 0.468 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.3 | 176.3 | -67.5 | 173 | 0 | 0 | 0 | 111 | R57 | L51-R57 HydrophobicContact CD2-CG 4.19Å |
| 52 | S | 88.3 | Confident | 92.5 | Very high | 26 Ų | 26 | 91.6 Ų | 91.6 | 18% | 0.182 | 46% | 0.458 | C | S | . | . | trans | -86.5 | 165.7 | 168.5 | 74 | 0 | 0 | 0 | 0 | 111.3 | S54 G55 R56 | S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact O-N 3.15Å; S52-S54 PolarHBondContact OG-N 2.9Å; S52-S54 PolarHBondContact OG-OG 2.88Å; S52-G55 PolarHBondContact O-N 2.63Å; S52-R56 WeakPolarHBondContact CA-O 3.21Å; S52-R56 WeakPolarHBondContact CB-O 3.39Å; S52-R56 PolarHBondContact N-O 2.73Å; S52-R56 PolarHBondContact OG-N 3.24Å; S52-R56 PolarHBondContact OG-O 2.72Å | ||
| 53 | Q | 82.4 | Confident | 92.1 | Very high | 203 Ų | 203 | 90 Ų | 90 | 95% | 0.949 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -28.6 | 173.3 | -175.1 | -174.2 | -21 | 0 | 0 | 112.7 | G55 | Q53-G55 PolarHBondContact O-N 2.93Š|
| 54 | S | 88.8 | Confident | 91.6 | Very high | 75 Ų | 75 | 92.9 Ų | 92.9 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -0.6 | 177.2 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | S52 R56 | S52-S54 PolarHBondContact O-N 3.31Å; S52-S54 VanDerWaalsContact O-N 3.15Å; S52-S54 PolarHBondContact OG-N 2.9Å; S52-S54 PolarHBondContact OG-OG 2.88Å; S54-R56 PolarHBondContact O-N 2.99Å; S54-R56 PolarHBondContact OG-N 3.02Å |
| 55 | G | 90 | Very high | 91.2 | Very high | 55 Ų | 55 | 93.9 Ų | 93.9 | 57% | 0.567 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 80.5 | -13.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S52 Q53 | S52-G55 PolarHBondContact O-N 2.63Å; Q53-G55 PolarHBondContact O-N 2.93Å |
| 56 | R | 93.6 | Very high | 90.8 | Very high | 185 Ų | 185 | 92.4 Ų | 92.4 | 70% | 0.698 | 47% | 0.469 | S | S | * | . | trans | -71.2 | 147.3 | 173.4 | -62.6 | -179 | 176.5 | 106.8 | -2.5 | 111.4 | S52 S54 | S52-R56 WeakPolarHBondContact CA-O 3.21Å; S52-R56 WeakPolarHBondContact CB-O 3.39Å; S52-R56 PolarHBondContact N-O 2.73Å; S52-R56 PolarHBondContact OG-N 3.24Å; S52-R56 PolarHBondContact OG-O 2.72Å; S54-R56 PolarHBondContact O-N 2.99Å; S54-R56 PolarHBondContact OG-N 3.02Å | ||
| 57 | R | 94.1 | Very high | 90.5 | Very high | 177 Ų | 177 | 94.8 Ų | 94.8 | 67% | 0.668 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 143.8 | 171.1 | -67.5 | -174.3 | -60.1 | -171.8 | 3.8 | 110.4 | W49 V50 L51 | W49-R57 HydrophobicContact CB-CB 4.14Å; W49-R57 HydrophobicContact CB-CG 4.49Å; W49-R57 HydrophobicContact CD2-CB 4.38Å; W49-R57 HydrophobicContact CE3-CB 3.77Å; V50-R57 CarbonylContact O-C 3.52Å; V50-R57 VanDerWaalsContact O-CA 3.32Å; V50-R57 WeakPolarHBondContact O-CA 3.43Å; L51-R57 HydrophobicContact CD2-CG 4.19Å |
| 58 | K | 94.2 | Very high | 90.3 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 35% | 0.352 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 166.1 | 176.1 | 62.5 | 169.7 | -175.1 | 149.9 | 0 | 110.7 | V50 D60 | V50-K58 HydrophobicContact CG2-CG 3.96Å; V50-K58 WeakPolarHBondContact CG2-O 3.21Å; V50-K58 PolarHBondContact N-O 2.94Å; V50-K58 PolarHBondContact O-N 3.37Å; K58-D60 WeakPolarHBondContact CE-OD1 3.16Å; K58-D60 WeakPolarHBondContact CE-OD2 3.46Å; K58-D60 IonicContact NZ-OD1 2.72Å; K58-D60 PolarHBondContact NZ-OD1 3.1Å; K58-D60 IonicContact NZ-OD2 2.95Å; K58-D60 PolarHBondContact NZ-OD2 3.22Å |
| 59 | Q | 93.5 | Very high | 90.3 | Very high | 35 Ų | 35 | 103.5 Ų | 103.5 | 16% | 0.164 | 50% | 0.502 | C | S | . | . | trans | -112.7 | 131.5 | 169.8 | -62.9 | 175.1 | -2.3 | 0 | 0 | 108.4 | I44 W49 Y61 | I44-Q59 PolarHBondContact O-NE2 2.6Å; W49-Q59 HydrophobicContact CD2-CG 4.05Å; W49-Q59 VanDerWaalsContact CE2-NE2 3.27Å; W49-Q59 HydrophobicContact CE3-CG 4.01Å; W49-Q59 HydrophobicContact CZ3-CG 4.34Å; Q59-Y61 HydrophobicContact CB-CD2 4.49Å; Q59-Y61 HydrophobicContact CB-CE2 3.63Å; Q59-Y61 PolarHBondContact OE1-OH 3.13Å | ||
| 60 | D | 89.7 | Confident | 90.3 | Very high | 67 Ų | 67 | 107.8 Ų | 107.8 | 36% | 0.358 | 53% | 0.526 | S | S | . | . | trans | -113.3 | 121.6 | -178.9 | -76.9 | -38 | 0 | 0 | 0 | 109.7 | K58 | K58-D60 WeakPolarHBondContact CE-OD1 3.16Å; K58-D60 WeakPolarHBondContact CE-OD2 3.46Å; K58-D60 IonicContact NZ-OD1 2.72Å; K58-D60 PolarHBondContact NZ-OD1 3.1Å; K58-D60 IonicContact NZ-OD2 2.95Å; K58-D60 PolarHBondContact NZ-OD2 3.22Å | ||
| 61 | Y | 89.5 | Confident | 90.3 | Very high | 76 Ų | 76 | 110.8 Ų | 110.8 | 30% | 0.298 | 53% | 0.534 | S | S | . | . | trans | -118.7 | 16.4 | 180 | -60.3 | -70.1 | 0 | 0 | 0 | 114.1 | Q47 Q59 F77 P81 | Q47-Y61 WeakPolarHBondContact CG-OH 3.49Å; Q59-Y61 HydrophobicContact CB-CD2 4.49Å; Q59-Y61 HydrophobicContact CB-CE2 3.63Å; Q59-Y61 PolarHBondContact OE1-OH 3.13Å; Y61-F77 WeakPolarHBondContact O-CD2 3.28Å; Y61-F77 WeakPolarHBondContact O-CE2 3.5Å; Y61-P81 HydrophobicContact CD1-CG 3.81Å; Y61-P81 HydrophobicContact CD2-CG 3.94Å; Y61-P81 HydrophobicContact CE1-CG 3.43Å; Y61-P81 VanDerWaalsContact CE1-CG 3.43Å; Y61-P81 HydrophobicContact CE2-CG 3.55Å; Y61-P81 HydrophobicContact CG-CG 4.06Å | ||
| 62 | G | 89.6 | Confident | 90.3 | Very high | 25 Ų | 25 | 108.5 Ų | 108.5 | 26% | 0.258 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -162 | -163.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | K64 | G62-K64 PolarHBondContact O-N 3.46Š|
| 63 | P | 89.6 | Confident | 90.4 | Very high | 76 Ų | 76 | 113.4 Ų | 113.4 | 49% | 0.494 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -52.5 | 135.3 | -177.9 | -27.7 | 35.1 | 0 | 0 | 0 | 112.6 | V72 H73 | P63-V72 HydrophobicContact CB-CG1 4.05Å; P63-H73 CarbonylContact C-O 3.58Å; P63-H73 WeakPolarHBondContact CA-O 3.32Å |
| 64 | K | 87.9 | Confident | 90.4 | Very high | 122 Ų | 122 | 110.1 Ų | 110.1 | 53% | 0.53 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.6 | -179.5 | -65.1 | -176.5 | 179.6 | -179.4 | 0 | 109.5 | G62 H73 | G62-K64 PolarHBondContact O-N 3.46Å; K64-H73 HydrophobicContact CB-CB 4.42Å; K64-H73 PolarHBondContact N-O 3.37Å; K64-H73 PolarHBondContact O-N 3.18Å |
| 65 | V | 87.9 | Confident | 89.9 | Confident | 73 Ų | 73 | 108.3 Ų | 108.3 | 44% | 0.442 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 131.4 | 177.8 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | F67 V72 | V65-F67 HydrophobicContact CB-CE1 4.4Å; V65-F67 HydrophobicContact CB-CE2 4.27Å; V65-F67 HydrophobicContact CB-CZ 4.11Å; V65-F67 HydrophobicContact CG1-CD1 3.77Å; V65-F67 HydrophobicContact CG1-CD2 4.28Å; V65-F67 HydrophobicContact CG1-CE1 3.61Å; V65-F67 HydrophobicContact CG1-CE2 4.14Å; V65-F67 HydrophobicContact CG1-CG 4.1Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; V65-V72 HydrophobicContact CG1-CG2 4.46Å; V65-V72 HydrophobicContact CG2-CG1 4.43Å; V65-V72 HydrophobicContact CG2-CG2 4.2Å |
| 66 | N | 88 | Confident | 89.5 | Confident | 72 Ų | 72 | 107.6 Ų | 107.6 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 92.4 | 166.8 | -172.9 | -36.6 | 0 | 0 | 0 | 108.9 | K68 R69 Q70 K71 | N66-K68 PolarHBondContact O-N 2.94Å; N66-K68 PolarHBondContact OD1-N 3.13Å; N66-R69 HydrophobicContact CB-CB 4.45Å; N66-R69 CarbonylContact O-C 3.59Å; N66-R69 PolarHBondContact O-N 3.43Å; N66-R69 PolarHBondContact OD1-N 3.09Å; N66-Q70 PolarHBondContact O-N 3.34Å; N66-K71 PolarHBondContact N-O 3.05Å; N66-K71 PolarHBondContact O-N 3.35Å |
| 67 | F | 89.4 | Confident | 89.2 | Confident | 167 Ų | 167 | 104.9 Ų | 104.9 | 73% | 0.732 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -60.9 | -41.5 | -178.1 | -64.3 | -73.4 | 0 | 0 | 0 | 112.9 | V65 R69 Q70 | V65-F67 HydrophobicContact CB-CE1 4.4Å; V65-F67 HydrophobicContact CB-CE2 4.27Å; V65-F67 HydrophobicContact CB-CZ 4.11Å; V65-F67 HydrophobicContact CG1-CD1 3.77Å; V65-F67 HydrophobicContact CG1-CD2 4.28Å; V65-F67 HydrophobicContact CG1-CE1 3.61Å; V65-F67 HydrophobicContact CG1-CE2 4.14Å; V65-F67 HydrophobicContact CG1-CG 4.1Å; V65-F67 HydrophobicContact CG1-CZ 3.81Å; F67-R69 PolarHBondContact O-N 3.17Å; F67-Q70 PolarHBondContact O-N 2.94Å |
| 68 | K | 89 | Confident | 88.9 | Confident | 205 Ų | 205 | 107 Ų | 107 | 89% | 0.891 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -58.5 | -35 | 179.5 | -176.1 | 174.5 | -179.4 | 176.9 | 0 | 112.1 | N66 | N66-K68 PolarHBondContact O-N 2.94Å; N66-K68 PolarHBondContact OD1-N 3.13Å |
| 69 | R | 93 | Very high | 88.8 | Confident | 165 Ų | 165 | 104.5 Ų | 104.5 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -96 | -0.7 | 177.6 | -61 | -174.3 | 77.2 | 179.5 | 6.5 | 113.4 | N66 F67 K71 | N66-R69 HydrophobicContact CB-CB 4.45Å; N66-R69 CarbonylContact O-C 3.59Å; N66-R69 PolarHBondContact O-N 3.43Å; N66-R69 PolarHBondContact OD1-N 3.09Å; F67-R69 PolarHBondContact O-N 3.17Å; R69-K71 HydrophobicContact CB-CB 4.31Å; R69-K71 HydrophobicContact CB-CD 4.32Å; R69-K71 HydrophobicContact CB-CG 4.22Å; R69-K71 WeakPolarHBondContact O-CG 3.24Å; R69-K71 PolarHBondContact O-N 2.81Å |
| 70 | Q | 93.5 | Very high | 88.8 | Confident | 183 Ų | 183 | 107.7 Ų | 107.7 | 86% | 0.855 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 39.3 | -170.3 | -60.8 | 178.6 | -24.8 | 0 | 0 | 112.4 | N66 F67 | N66-Q70 PolarHBondContact O-N 3.34Å; F67-Q70 PolarHBondContact O-N 2.94Å |
| 71 | K | 93.3 | Very high | 88.9 | Confident | 120 Ų | 120 | 105.2 Ų | 105.2 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 139.5 | -177.8 | -75.5 | -176.6 | -177.4 | -164.6 | 0 | 110.9 | N66 R69 | N66-K71 PolarHBondContact N-O 3.05Å; N66-K71 PolarHBondContact O-N 3.35Å; R69-K71 HydrophobicContact CB-CB 4.31Å; R69-K71 HydrophobicContact CB-CD 4.32Å; R69-K71 HydrophobicContact CB-CG 4.22Å; R69-K71 WeakPolarHBondContact O-CG 3.24Å; R69-K71 PolarHBondContact O-N 2.81Å |
| 72 | V | 91.6 | Very high | 89.2 | Confident | 90 Ų | 90 | 106 Ų | 106 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.6 | 167.2 | -176.9 | 0 | 0 | 0 | 0 | 107.8 | P63 V65 | P63-V72 HydrophobicContact CB-CG1 4.05Å; V65-V72 HydrophobicContact CG1-CG2 4.46Å; V65-V72 HydrophobicContact CG2-CG1 4.43Å; V65-V72 HydrophobicContact CG2-CG2 4.2Å |
| 73 | H | 88.7 | Confident | 89.5 | Confident | 130 Ų | 130 | 106.3 Ų | 106.3 | 60% | 0.602 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 108.1 | 165.7 | -175.4 | 73.4 | 0 | 0 | 0 | 107.7 | P63 K64 G75 | P63-H73 CarbonylContact C-O 3.58Å; P63-H73 WeakPolarHBondContact CA-O 3.32Å; K64-H73 HydrophobicContact CB-CB 4.42Å; K64-H73 PolarHBondContact N-O 3.37Å; K64-H73 PolarHBondContact O-N 3.18Å; H73-G75 PolarHBondContact CD2-N 2.94Å; H73-G75 PolarHBondContact O-N 3.5Å |
| 74 | I | 83.8 | Confident | 89.8 | Confident | 133 Ų | 133 | 103.5 Ų | 103.5 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | trans | -61.5 | -27.6 | -174.9 | -66.3 | 164.8 | 0 | 0 | 0 | 111.1 | ||||
| 75 | G | 78.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 106.9 Ų | 106.9 | 39% | 0.392 | 53% | 0.531 | S | S | . | . | trans | 53.2 | -173.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H73 | H73-G75 PolarHBondContact CD2-N 2.94Å; H73-G75 PolarHBondContact O-N 3.5Å | ||
| 76 | G | 80.5 | Confident | 90.6 | Very high | 39 Ų | 39 | 106 Ų | 106 | 40% | 0.402 | 52% | 0.522 | S | S | . | . | trans | -90.3 | 121.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 77 | F | 89 | Confident | 91 | Very high | 129 Ų | 129 | 104.6 Ų | 104.6 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | trans | -90.6 | 103.7 | 161.9 | 179.9 | -110.5 | 0 | 0 | 0 | 108.1 | Y61 G79 L80 | Y61-F77 WeakPolarHBondContact O-CD2 3.28Å; Y61-F77 WeakPolarHBondContact O-CE2 3.5Å; F77-G79 VanDerWaalsContact C-N 3.28Å; F77-L80 HydrophobicContact CE2-CD2 4.36Å; F77-L80 HydrophobicContact CZ-CD2 4.43Å; F77-L80 HydrophobicContact CZ-CG 4.38Å | ||
| 78 | Y | 88 | Confident | 91.3 | Very high | 221 Ų | 221 | 99.7 Ų | 99.7 | 87% | 0.867 | 50% | 0.495 | S | S | * | . | trans | -92.8 | 12.8 | -178.2 | -59.1 | -75 | 0 | 0 | 0 | 113 | ||||
| 79 | G | 91.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 93.2 Ų | 93.2 | 29% | 0.289 | 47% | 0.472 | S | S | . | . | trans | 94.3 | 179.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F77 | F77-G79 VanDerWaalsContact C-N 3.28Š| ||
| 80 | L | 92.4 | Very high | 91.9 | Very high | 102 Ų | 102 | 88.9 Ų | 88.9 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -85.7 | 158.6 | 175.9 | -62.4 | 173.6 | 0 | 0 | 0 | 110.4 | F77 S84 I88 | F77-L80 HydrophobicContact CE2-CD2 4.36Å; F77-L80 HydrophobicContact CZ-CD2 4.43Å; F77-L80 HydrophobicContact CZ-CG 4.38Å; L80-S84 VanDerWaalsContact CB-OG 3.29Å; L80-S84 WeakPolarHBondContact CB-OG 3.48Å; L80-I88 HydrophobicContact CD1-CD1 3.46Å; L80-I88 VanDerWaalsContact CD1-CD1 3.46Å |
| 81 | P | 93.8 | Very high | 92 | Very high | 16 Ų | 16 | 86 Ų | 86 | 10% | 0.104 | 44% | 0.438 | C | S | . | . | trans | -55.3 | 148.1 | 177.1 | -27.5 | 37.3 | 0 | 0 | 0 | 113 | Y61 Y83 S84 | Y61-P81 HydrophobicContact CD1-CG 3.81Å; Y61-P81 HydrophobicContact CD2-CG 3.94Å; Y61-P81 HydrophobicContact CE1-CG 3.43Å; Y61-P81 VanDerWaalsContact CE1-CG 3.43Å; Y61-P81 HydrophobicContact CE2-CG 3.55Å; Y61-P81 HydrophobicContact CG-CG 4.06Å; P81-Y83 HydrophobicContact CB-CD1 3.58Å; P81-Y83 HydrophobicContact CB-CD2 4.4Å; P81-Y83 HydrophobicContact CB-CE1 3.17Å; P81-Y83 HydrophobicContact CB-CE2 4.06Å; P81-Y83 HydrophobicContact CB-CG 4.18Å; P81-Y83 VanDerWaalsContact CB-CZ 3.44Å; P81-Y83 HydrophobicContact CG-CE1 3.84Å; P81-Y83 HydrophobicContact CG-CE2 4.44Å; P81-Y83 PolarHBondContact O-N 3.18Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.44Å; P81-S84 PolarHBondContact O-OG 3.37Å | ||
| 82 | A | 94.7 | Very high | 92 | Very high | 91 Ų | 91 | 83.6 Ų | 83.6 | 75% | 0.752 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -56.4 | -38.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | S84 R85 | A82-S84 PolarHBondContact O-N 3.38Å; A82-R85 VanDerWaalsContact O-CB 3.24Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-R85 VanDerWaalsContact O-N 3.09Å |
| 83 | Y | 95.4 | Very high | 92.2 | Very high | 33 Ų | 33 | 82.6 Ų | 82.6 | 13% | 0.129 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -61.9 | -22.1 | 178 | 64.2 | -106.5 | 0 | 0 | 0 | 113.2 | L40 E43 I44 Q47 P81 R85 F86 | L40-Y83 HydrophobicContact CD2-CD2 3.73Å; L40-Y83 HydrophobicContact CD2-CG 4.4Å; E43-Y83 HydrophobicContact CB-CD1 3.85Å; E43-Y83 HydrophobicContact CB-CG 4.04Å; I44-Y83 HydrophobicContact CD1-CE2 4.3Å; I44-Y83 HydrophobicContact CG1-CD2 4.39Å; I44-Y83 HydrophobicContact CG1-CE1 4.1Å; I44-Y83 HydrophobicContact CG1-CE2 3.73Å; Q47-Y83 HydrophobicContact CG-CE1 3.93Å; P81-Y83 HydrophobicContact CB-CD1 3.58Å; P81-Y83 HydrophobicContact CB-CD2 4.4Å; P81-Y83 HydrophobicContact CB-CE1 3.17Å; P81-Y83 HydrophobicContact CB-CE2 4.06Å; P81-Y83 HydrophobicContact CB-CG 4.18Å; P81-Y83 VanDerWaalsContact CB-CZ 3.44Å; P81-Y83 HydrophobicContact CG-CE1 3.84Å; P81-Y83 HydrophobicContact CG-CE2 4.44Å; P81-Y83 PolarHBondContact O-N 3.18Å; Y83-R85 VanDerWaalsContact C-N 3.27Å; Y83-R85 PolarHBondContact O-N 3.37Å; Y83-F86 WeakPolarHBondContact O-CD1 3.48Å; Y83-F86 WeakPolarHBondContact O-CE1 3.37Å |
| 84 | S | 95.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 79 Ų | 79 | 12% | 0.119 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -78.7 | -12 | 178.8 | 82.7 | 0 | 0 | 0 | 0 | 113 | L80 P81 A82 F86 L87 I88 | L80-S84 VanDerWaalsContact CB-OG 3.29Å; L80-S84 WeakPolarHBondContact CB-OG 3.48Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.44Å; P81-S84 PolarHBondContact O-OG 3.37Å; A82-S84 PolarHBondContact O-N 3.38Å; S84-F86 PolarHBondContact O-N 3.07Å; S84-L87 WeakPolarHBondContact O-CB 3.12Å; S84-L87 PolarHBondContact O-N 3.31Å; S84-I88 WeakPolarHBondContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.2Å; S84-I88 VanDerWaalsContact O-N 3.13Å; S84-I88 WeakPolarHBondContact OG-CD1 3.39Å |
| 85 | R | 96.8 | Very high | 92.7 | Very high | 192 Ų | 192 | 75.4 Ų | 75.4 | 73% | 0.725 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -59.2 | -49.3 | -171.5 | -175.4 | 177.7 | -178 | 88.4 | 0.1 | 112.1 | A82 Y83 L87 I88 T89 | A82-R85 VanDerWaalsContact O-CB 3.24Å; A82-R85 WeakPolarHBondContact O-CB 3.43Å; A82-R85 PolarHBondContact O-N 3.18Å; A82-R85 VanDerWaalsContact O-N 3.09Å; Y83-R85 VanDerWaalsContact C-N 3.27Å; Y83-R85 PolarHBondContact O-N 3.37Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.88Å; R85-I88 PolarHBondContact O-N 2.95Å; R85-T89 PolarHBondContact O-N 3.23Å; R85-T89 PolarHBondContact O-OG1 3.04Å |
| 86 | F | 96.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 79.5 Ų | 79.5 | 25% | 0.246 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -66.6 | -36.7 | -176.7 | 82.9 | -83.1 | 0 | 0 | 0 | 111.8 | I32 E36 M39 L40 Y83 S84 I88 T89 R90 | I32-F86 HydrophobicContact CG2-CE2 4.34Å; E36-F86 HydrophobicContact CB-CE2 4.4Å; E36-F86 HydrophobicContact CB-CZ 4.29Å; E36-F86 HydrophobicContact CG-CE2 4.3Å; M39-F86 HydrophobicContact CE-CD1 4.43Å; M39-F86 HydrophobicContact CE-CE1 3.6Å; M39-F86 HydrophobicContact CE-CZ 4.06Å; L40-F86 HydrophobicContact CD1-CZ 4.05Å; L40-F86 HydrophobicContact CD2-CE1 3.84Å; L40-F86 HydrophobicContact CD2-CZ 4.21Å; L40-F86 HydrophobicContact CG-CE1 4.22Å; L40-F86 HydrophobicContact CG-CZ 4.15Å; Y83-F86 WeakPolarHBondContact O-CD1 3.48Å; Y83-F86 WeakPolarHBondContact O-CE1 3.37Å; S84-F86 PolarHBondContact O-N 3.07Å; F86-I88 PolarHBondContact O-N 3.08Å; F86-T89 PolarHBondContact O-N 3.4Å; F86-R90 VanDerWaalsContact O-CB 3.31Å; F86-R90 WeakPolarHBondContact O-CB 3.36Å; F86-R90 PolarHBondContact O-N 2.81Å |
| 87 | L | 97.3 | Very high | 93.6 | Very high | 41 Ų | 41 | 84.5 Ų | 84.5 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.7 | -48.2 | 174.9 | -62.4 | 174.4 | 0 | 0 | 0 | 111.1 | F31 I32 L40 S84 R85 R90 Y91 | F31-L87 HydrophobicContact CD1-CD2 4.47Å; F31-L87 HydrophobicContact CE1-CD2 3.95Å; I32-L87 HydrophobicContact CG2-CD2 3.4Å; L40-L87 HydrophobicContact CD1-CD1 4.12Å; L40-L87 HydrophobicContact CD1-CD2 4.25Å; L40-L87 HydrophobicContact CD2-CD1 3.96Å; S84-L87 WeakPolarHBondContact O-CB 3.12Å; S84-L87 PolarHBondContact O-N 3.31Å; R85-L87 VanDerWaalsContact C-N 3.33Å; R85-L87 PolarHBondContact O-N 2.88Å; L87-R90 PolarHBondContact O-N 2.73Å; L87-Y91 VanDerWaalsContact O-CB 3.28Å; L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 2.82Å |
| 88 | I | 95.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 82 Ų | 82 | 33% | 0.333 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66 | -43.8 | -179.4 | -64.4 | 161 | 0 | 0 | 0 | 110.8 | L80 S84 R85 F86 Y91 N92 | L80-I88 HydrophobicContact CD1-CD1 3.46Å; L80-I88 VanDerWaalsContact CD1-CD1 3.46Å; S84-I88 WeakPolarHBondContact O-CD1 3.29Å; S84-I88 WeakPolarHBondContact O-CG1 3.29Å; S84-I88 PolarHBondContact O-N 3.2Å; S84-I88 VanDerWaalsContact O-N 3.13Å; S84-I88 WeakPolarHBondContact OG-CD1 3.39Å; R85-I88 PolarHBondContact O-N 2.95Å; F86-I88 PolarHBondContact O-N 3.08Å; I88-Y91 PolarHBondContact O-N 2.83Å; I88-N92 WeakPolarHBondContact CG2-ND2 3.12Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 3.44Å; I88-N92 PolarHBondContact O-ND2 3.43Å |
| 89 | T | 96.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 78.4 Ų | 78.4 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59 | -51.1 | 176 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | R85 F86 Y91 N92 D93 | R85-T89 PolarHBondContact O-N 3.23Å; R85-T89 PolarHBondContact O-OG1 3.04Å; F86-T89 PolarHBondContact O-N 3.4Å; T89-Y91 VanDerWaalsContact C-N 3.35Å; T89-Y91 PolarHBondContact O-N 2.95Å; T89-N92 PolarHBondContact O-N 3.45Å; T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 3.18Å |
| 90 | R | 96.8 | Very high | 92 | Very high | 74 Ų | 74 | 84 Ų | 84 | 28% | 0.279 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 178.4 | -176.3 | -178.9 | -63.8 | 154.6 | 4.9 | 111.7 | F31 E36 F86 L87 D93 L94 | F31-R90 HydrophobicContact CD2-CG 4.47Å; F31-R90 HydrophobicContact CE2-CB 4.28Å; F31-R90 HydrophobicContact CE2-CG 3.67Å; F31-R90 HydrophobicContact CZ-CB 3.98Å; F31-R90 HydrophobicContact CZ-CG 3.85Å; F31-R90 WeakPolarHBondContact O-CD 3.37Å; F31-R90 PolarHBondContact O-NH1 3.25Å; E36-R90 IonicContact OE1-CZ 2.63Å; E36-R90 IonicContact OE1-NH1 2.72Å; E36-R90 PolarHBondContact OE1-NH1 2.88Å; E36-R90 IonicContact OE1-NH2 2.73Å; E36-R90 PolarHBondContact OE1-NH2 3.43Å; E36-R90 IonicContact OE2-CZ 3.46Å; E36-R90 IonicContact OE2-NH1 3.42Å; E36-R90 PolarHBondContact OE2-NH1 3.38Å; E36-R90 IonicContact OE2-NH2 2.63Å; E36-R90 PolarHBondContact OE2-NH2 2.99Å; F86-R90 VanDerWaalsContact O-CB 3.31Å; F86-R90 WeakPolarHBondContact O-CB 3.36Å; F86-R90 PolarHBondContact O-N 2.81Å; L87-R90 PolarHBondContact O-N 2.73Å; R90-D93 PolarHBondContact O-N 2.8Å; R90-L94 WeakPolarHBondContact O-CG 3.47Å; R90-L94 PolarHBondContact O-N 2.97Å |
| 91 | Y | 94.8 | Very high | 90.7 | Very high | 122 Ų | 122 | 83.3 Ų | 83.3 | 48% | 0.478 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59 | -49.1 | 177.3 | 173.2 | -105.4 | 0 | 0 | 0 | 112 | L87 I88 T89 D93 L94 I95 | L87-Y91 VanDerWaalsContact O-CB 3.28Å; L87-Y91 WeakPolarHBondContact O-CB 3.47Å; L87-Y91 PolarHBondContact O-N 2.82Å; I88-Y91 PolarHBondContact O-N 2.83Å; T89-Y91 VanDerWaalsContact C-N 3.35Å; T89-Y91 PolarHBondContact O-N 2.95Å; Y91-D93 VanDerWaalsContact C-N 3.31Å; Y91-D93 PolarHBondContact O-N 2.87Å; Y91-L94 PolarHBondContact O-N 2.78Å; Y91-I95 HydrophobicContact CD1-CD1 3.99Å; Y91-I95 HydrophobicContact CD2-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CD1 3.34Å; Y91-I95 HydrophobicContact CE1-CG1 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 3.6Å; Y91-I95 HydrophobicContact CE2-CG1 4.27Å; Y91-I95 HydrophobicContact CG-CD1 4.42Å; Y91-I95 PolarHBondContact O-N 2.72Å; Y91-I95 VanDerWaalsContact OH-CD1 3.27Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.4Å |
| 92 | N | 95 | Very high | 88.9 | Confident | 70 Ų | 70 | 86.3 Ų | 86.3 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 179.1 | -73.2 | -26.5 | 0 | 0 | 0 | 112.3 | I88 T89 I95 K96 | I88-N92 WeakPolarHBondContact CG2-ND2 3.12Å; I88-N92 WeakPolarHBondContact O-CB 3.39Å; I88-N92 PolarHBondContact O-N 3.44Å; I88-N92 PolarHBondContact O-ND2 3.43Å; T89-N92 PolarHBondContact O-N 3.45Å; N92-I95 PolarHBondContact O-N 3.36Å; N92-K96 WeakPolarHBondContact O-CB 3.21Å; N92-K96 VanDerWaalsContact O-CG 3.29Å; N92-K96 WeakPolarHBondContact O-CG 3.41Å; N92-K96 PolarHBondContact O-N 3.36Å |
| 93 | D | 95.7 | Very high | 86.6 | Confident | 70 Ų | 70 | 91.5 Ų | 91.5 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 178 | -70 | -17.7 | 0 | 0 | 0 | 111.9 | T89 R90 Y91 K97 | T89-D93 VanDerWaalsContact O-CG 3.3Å; T89-D93 PolarHBondContact O-N 3.18Å; R90-D93 PolarHBondContact O-N 2.8Å; Y91-D93 VanDerWaalsContact C-N 3.31Å; Y91-D93 PolarHBondContact O-N 2.87Å; D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.42Å; D93-K97 PolarHBondContact O-N 2.77Å; D93-K97 VanDerWaalsContact O-N 3.07Å |
| 94 | L | 92.3 | Very high | 86.1 | Confident | 54 Ų | 54 | 94.4 Ų | 94.4 | 28% | 0.283 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 172.7 | -70.5 | -178.9 | 0 | 0 | 0 | 111.7 | I28 F31 R90 Y91 K97 K98 | I28-L94 HydrophobicContact CD1-CD1 3.96Å; I28-L94 HydrophobicContact CG2-CD1 4.27Å; F31-L94 HydrophobicContact CD2-CD1 3.86Å; F31-L94 HydrophobicContact CE2-CD1 3.62Å; R90-L94 WeakPolarHBondContact O-CG 3.47Å; R90-L94 PolarHBondContact O-N 2.97Å; Y91-L94 PolarHBondContact O-N 2.78Å; L94-K97 PolarHBondContact O-N 2.69Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.84Å; L94-K98 VanDerWaalsContact O-N 3.11Å |
| 95 | I | 89.2 | Confident | 85.6 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 29% | 0.292 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 178.2 | -74.6 | -176.5 | 0 | 0 | 0 | 111.6 | Y91 N92 K97 K98 H99 | Y91-I95 HydrophobicContact CD1-CD1 3.99Å; Y91-I95 HydrophobicContact CD2-CD1 4.23Å; Y91-I95 HydrophobicContact CE1-CD1 3.34Å; Y91-I95 HydrophobicContact CE1-CG1 4.48Å; Y91-I95 HydrophobicContact CE2-CD1 3.6Å; Y91-I95 HydrophobicContact CE2-CG1 4.27Å; Y91-I95 HydrophobicContact CG-CD1 4.42Å; Y91-I95 PolarHBondContact O-N 2.72Å; Y91-I95 VanDerWaalsContact OH-CD1 3.27Å; Y91-I95 WeakPolarHBondContact OH-CD1 3.4Å; N92-I95 PolarHBondContact O-N 3.36Å; I95-K97 PolarHBondContact O-N 3.3Å; I95-K98 PolarHBondContact O-N 3.33Å; I95-K98 VanDerWaalsContact O-N 3.17Å; I95-H99 PolarHBondContact O-CD2 3.01Å; I95-H99 PolarHBondContact O-N 2.97Å |
| 96 | K | 91.4 | Very high | 85 | Confident | 125 Ų | 125 | 93.3 Ų | 93.3 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 177.8 | -74.9 | 171.6 | -175.4 | 172.6 | 0 | 111.7 | N92 K98 H99 I100 | N92-K96 WeakPolarHBondContact O-CB 3.21Å; N92-K96 VanDerWaalsContact O-CG 3.29Å; N92-K96 WeakPolarHBondContact O-CG 3.41Å; N92-K96 PolarHBondContact O-N 3.36Å; K96-K98 VanDerWaalsContact C-N 3.25Å; K96-K98 PolarHBondContact O-N 2.94Å; K96-H99 PolarHBondContact O-N 2.78Å; K96-I100 WeakPolarHBondContact O-CB 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.18Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.21Å |
| 97 | K | 88.1 | Confident | 84.3 | Confident | 143 Ų | 143 | 95.5 Ų | 95.5 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56.6 | -41.8 | 176.4 | -74.5 | 172.3 | -177.1 | 177.3 | 0 | 111.3 | D93 L94 I95 S101 | D93-K97 VanDerWaalsContact O-CG 3.28Å; D93-K97 WeakPolarHBondContact O-CG 3.42Å; D93-K97 PolarHBondContact O-N 2.77Å; D93-K97 VanDerWaalsContact O-N 3.07Å; L94-K97 PolarHBondContact O-N 2.69Å; I95-K97 PolarHBondContact O-N 3.3Å; K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.49Å; K97-S101 PolarHBondContact O-OG 3.25Å |
| 98 | K | 81.6 | Confident | 83.5 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 34% | 0.339 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.8 | -46.2 | 178.4 | -73.5 | -171.1 | -175.4 | -174.7 | 0 | 113.3 | E26 L94 I95 K96 I100 S101 S102 | E26-K98 IonicContact OE1-NZ 2.6Å; E26-K98 PolarHBondContact OE1-NZ 3.45Å; E26-K98 IonicContact OE2-NZ 2.72Å; E26-K98 PolarHBondContact OE2-NZ 3.21Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.84Å; L94-K98 VanDerWaalsContact O-N 3.11Å; I95-K98 PolarHBondContact O-N 3.33Å; I95-K98 VanDerWaalsContact O-N 3.17Å; K96-K98 VanDerWaalsContact C-N 3.25Å; K96-K98 PolarHBondContact O-N 2.94Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.15Å; K98-S101 WeakPolarHBondContact CA-OG 3.45Å; K98-S101 PolarHBondContact O-N 3.04Å; K98-S101 PolarHBondContact O-OG 3.44Å; K98-S102 PolarHBondContact O-N 3.38Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.03Å |
| 99 | H | 79.1 | Confident | 82.7 | Confident | 144 Ų | 144 | 101.1 Ų | 101.1 | 67% | 0.667 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64 | -35.6 | 177.6 | -83.6 | -73.8 | 0 | 0 | 0 | 112.7 | I95 K96 S101 | I95-H99 PolarHBondContact O-CD2 3.01Å; I95-H99 PolarHBondContact O-N 2.97Å; K96-H99 PolarHBondContact O-N 2.78Å; H99-S101 VanDerWaalsContact C-N 3.35Å |
| 100 | I | 73.2 | Confident | 81.7 | Confident | 145 Ų | 145 | 103.5 Ų | 103.5 | 74% | 0.744 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -71.9 | -31.3 | 176.1 | -66.1 | 162.8 | 0 | 0 | 0 | 111.3 | K96 K98 | K96-I100 WeakPolarHBondContact O-CB 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.18Å; K96-I100 VanDerWaalsContact O-CG1 3.28Å; K96-I100 WeakPolarHBondContact O-CG1 3.5Å; K96-I100 PolarHBondContact O-N 3.21Å; K98-I100 VanDerWaalsContact C-N 3.3Å; K98-I100 PolarHBondContact O-N 3.15Å |
| 101 | S | 64.8 | Low | 80.5 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -84 | -4.3 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 115 | K97 K98 H99 | K97-S101 WeakPolarHBondContact O-CB 3.36Å; K97-S101 PolarHBondContact O-N 3.49Å; K97-S101 PolarHBondContact O-OG 3.25Å; K98-S101 WeakPolarHBondContact CA-OG 3.45Å; K98-S101 PolarHBondContact O-N 3.04Å; K98-S101 PolarHBondContact O-OG 3.44Å; H99-S101 VanDerWaalsContact C-N 3.35Å |
| 102 | S | 55.8 | Low | 79.3 | Confident | 79 Ų | 79 | 104.4 Ų | 104.4 | 55% | 0.552 | 56% | 0.559 | S | S | * | * | trans | -84 | 120.3 | 173.1 | -68.6 | 0 | 0 | 0 | 0 | 109.2 | K98 | K98-S102 PolarHBondContact O-N 3.38Å; K98-S102 VanDerWaalsContact O-N 3.15Å; K98-S102 PolarHBondContact O-OG 3.03Å | ||
| 103 | P | 46 | Very low | 77.9 | Confident | 200 Ų | 200 | 107.5 Ų | 107.5 | 100% | 1.299 | 58% | 0.576 | S | S | * | * | trans | -65.1 | 0 | 178.8 | 26.6 | -32.8 | 0 | 0 | 0 | 113.2 |
Retrieved 103 of 103 residues in 102.5 ms
(Link to these results)