| 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 | 37.5 | Very low | 45.9 | Very low | 154 Ų | 154 | 84.9 Ų | 84.9 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | 0 | -44.8 | 0 | -147.4 | 177.5 | -177.2 | 0 | 0 | 111.4 | R5 | M1-R5 PolarHBondContact O-N 2.99Š| |||
| 2 | Y | 37.9 | Very low | 46.4 | Very low | 65 Ų | 65 | 85.9 Ų | 85.9 | 26% | 0.255 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67 | -38.5 | -178.8 | -61.7 | -69 | 0 | 0 | 0 | 115.1 | E4 L6 L336 | Y2-E4 PolarHBondContact O-N 3.07Å; Y2-L6 WeakPolarHBondContact O-CB 3.27Å; Y2-L6 PolarHBondContact O-N 2.87Å; Y2-L336 HydrophobicContact CD1-CD2 4.37Å; Y2-L336 HydrophobicContact CE1-CD2 3.77Å |
| 3 | S | 43.4 | Very low | 46.2 | Very low | 34 Ų | 34 | 87.5 Ų | 87.5 | 24% | 0.238 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.3 | -36 | 178.9 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | L6 K7 | S3-L6 PolarHBondContact O-N 2.82Å; S3-K7 WeakPolarHBondContact O-CG 3.38Å; S3-K7 PolarHBondContact O-N 3.47Å |
| 4 | E | 49.1 | Very low | 46.4 | Very low | 91 Ų | 91 | 88.3 Ų | 88.3 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69 | -40.9 | 179 | -70.7 | -70.1 | 136.2 | 0 | 0 | 111.4 | Y2 K7 Y8 | Y2-E4 PolarHBondContact O-N 3.07Å; E4-K7 PolarHBondContact O-N 3.43Å; E4-Y8 PolarHBondContact O-N 3.05Å |
| 5 | R | 48.4 | Very low | 46.1 | Very low | 84 Ų | 84 | 91.5 Ų | 91.5 | 32% | 0.317 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.9 | -36.1 | 174.6 | -104.4 | -166.7 | 170.2 | 178.8 | -2.4 | 112.3 | M1 Y8 L9 D335 | M1-R5 PolarHBondContact O-N 2.99Å; R5-Y8 PolarHBondContact O-N 2.98Å; R5-L9 WeakPolarHBondContact O-CB 3.33Å; R5-L9 VanDerWaalsContact O-CG 3.3Å; R5-L9 WeakPolarHBondContact O-CG 3.29Å; R5-L9 PolarHBondContact O-N 2.99Å; R5-D335 IonicContact CZ-OD1 2.68Å; R5-D335 IonicContact CZ-OD2 3.66Å; R5-D335 IonicContact NH1-OD1 2.74Å; R5-D335 PolarHBondContact NH1-OD1 3Å; R5-D335 IonicContact NH1-OD2 3.42Å; R5-D335 PolarHBondContact NH1-OD2 3.4Å |
| 6 | L | 42.3 | Very low | 45.6 | Very low | 65 Ų | 65 | 91.9 Ų | 91.9 | 34% | 0.34 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 171.4 | -91.3 | 158.9 | 0 | 0 | 0 | 111.2 | Y2 S3 Y8 L9 E10 I56 | Y2-L6 WeakPolarHBondContact O-CB 3.27Å; Y2-L6 PolarHBondContact O-N 2.87Å; S3-L6 PolarHBondContact O-N 2.82Å; L6-Y8 VanDerWaalsContact C-N 3.32Å; L6-Y8 PolarHBondContact O-N 3.36Å; L6-L9 PolarHBondContact O-N 3.05Å; L6-E10 VanDerWaalsContact O-CB 3.32Å; L6-E10 WeakPolarHBondContact O-CB 3.41Å; L6-E10 PolarHBondContact O-N 3.2Å; L6-I56 HydrophobicContact CD1-CG2 4.14Å |
| 7 | K | 48.9 | Very low | 45 | Very low | 72 Ų | 72 | 88.8 Ų | 88.8 | 31% | 0.313 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.6 | -40.8 | 174.1 | -75.3 | -178.8 | 178.9 | 179.8 | 0 | 113 | S3 E4 N11 | S3-K7 WeakPolarHBondContact O-CG 3.38Å; S3-K7 PolarHBondContact O-N 3.47Å; E4-K7 PolarHBondContact O-N 3.43Å; K7-N11 WeakPolarHBondContact O-CB 3.28Å; K7-N11 PolarHBondContact O-N 3.33Å |
| 8 | Y | 53.8 | Low | 44.4 | Very low | 141 Ų | 141 | 88.4 Ų | 88.4 | 55% | 0.553 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.8 | -43.8 | 177.3 | 175.7 | -97.9 | 0 | 0 | 0 | 112.3 | E4 R5 L6 K12 | E4-Y8 PolarHBondContact O-N 3.05Å; R5-Y8 PolarHBondContact O-N 2.98Å; L6-Y8 VanDerWaalsContact C-N 3.32Å; L6-Y8 PolarHBondContact O-N 3.36Å; Y8-K12 WeakPolarHBondContact O-CB 3.31Å; Y8-K12 PolarHBondContact O-N 3.25Å |
| 9 | L | 43.2 | Very low | 44 | Very low | 43 Ų | 43 | 88.2 Ų | 88.2 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.6 | -71 | 171.6 | 0 | 0 | 0 | 111.8 | R5 L6 K12 L13 | R5-L9 WeakPolarHBondContact O-CB 3.33Å; R5-L9 VanDerWaalsContact O-CG 3.3Å; R5-L9 WeakPolarHBondContact O-CG 3.29Å; R5-L9 PolarHBondContact O-N 2.99Å; L6-L9 PolarHBondContact O-N 3.05Å; L9-K12 PolarHBondContact O-N 3.15Å; L9-L13 PolarHBondContact O-N 3.47Å |
| 10 | E | 53.6 | Low | 43.6 | Very low | 79 Ų | 79 | 86.6 Ų | 86.6 | 37% | 0.369 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 174.7 | -175.5 | 174.3 | -159.6 | 0 | 0 | 111.5 | L6 K12 L13 V14 P49 | L6-E10 VanDerWaalsContact O-CB 3.32Å; L6-E10 WeakPolarHBondContact O-CB 3.41Å; L6-E10 PolarHBondContact O-N 3.2Å; E10-K12 PolarHBondContact O-N 3.34Å; E10-L13 WeakPolarHBondContact O-CB 3.17Å; E10-L13 PolarHBondContact O-N 3.47Å; E10-L13 VanDerWaalsContact O-N 3.16Å; E10-V14 WeakPolarHBondContact O-CG2 3.41Å; E10-V14 PolarHBondContact O-N 3.46Å; E10-P49 WeakPolarHBondContact OE1-CB 3.38Å |
| 11 | N | 47.2 | Very low | 43.2 | Very low | 106 Ų | 106 | 88.6 Ų | 88.6 | 57% | 0.567 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.9 | -35.6 | 175.3 | -79.9 | -18.1 | 0 | 0 | 0 | 112.6 | K7 Q15 | K7-N11 WeakPolarHBondContact O-CB 3.28Å; K7-N11 PolarHBondContact O-N 3.33Å; N11-Q15 WeakPolarHBondContact O-CG 3.49Å; N11-Q15 PolarHBondContact O-N 2.99Å; N11-Q15 VanDerWaalsContact O-N 3.17Å |
| 12 | K | 51.1 | Low | 43.1 | Very low | 97 Ų | 97 | 84.3 Ų | 84.3 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.9 | -42 | 176.9 | -158.3 | -174.3 | 177.9 | -161.3 | 0 | 111.5 | Y8 L9 E10 Q15 D16 | Y8-K12 WeakPolarHBondContact O-CB 3.31Å; Y8-K12 PolarHBondContact O-N 3.25Å; L9-K12 PolarHBondContact O-N 3.15Å; E10-K12 PolarHBondContact O-N 3.34Å; K12-Q15 PolarHBondContact O-N 3.47Å; K12-D16 PolarHBondContact O-N 2.95Å |
| 13 | L | 43.6 | Very low | 42.9 | Very low | 107 Ų | 107 | 89.9 Ų | 89.9 | 56% | 0.56 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 175.2 | -94.1 | 158.4 | 0 | 0 | 0 | 112.7 | L9 E10 G17 I328 | L9-L13 PolarHBondContact O-N 3.47Å; E10-L13 WeakPolarHBondContact O-CB 3.17Å; E10-L13 PolarHBondContact O-N 3.47Å; E10-L13 VanDerWaalsContact O-N 3.16Å; L13-G17 PolarHBondContact O-N 3.02Å; L13-I328 HydrophobicContact CD1-CD1 4.27Å |
| 14 | V | 49.7 | Very low | 42.5 | Very low | 98 Ų | 98 | 95.4 Ų | 95.4 | 59% | 0.594 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 177 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | E10 S18 | E10-V14 WeakPolarHBondContact O-CG2 3.41Å; E10-V14 PolarHBondContact O-N 3.46Å; V14-S18 PolarHBondContact O-N 3.17Å; V14-S18 VanDerWaalsContact O-N 3.17Å |
| 15 | Q | 41.2 | Very low | 41.8 | Very low | 137 Ų | 137 | 98.1 Ų | 98.1 | 64% | 0.64 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.4 | -45.1 | 177 | -77.3 | -177.7 | -12.2 | 0 | 0 | 112.4 | N11 K12 G17 S18 V19 | N11-Q15 WeakPolarHBondContact O-CG 3.49Å; N11-Q15 PolarHBondContact O-N 2.99Å; N11-Q15 VanDerWaalsContact O-N 3.17Å; K12-Q15 PolarHBondContact O-N 3.47Å; Q15-G17 VanDerWaalsContact C-N 3.33Å; Q15-G17 PolarHBondContact O-N 3.37Å; Q15-S18 PolarHBondContact O-N 3.34Å; Q15-V19 WeakPolarHBondContact O-CG2 3.37Å; Q15-V19 PolarHBondContact O-N 3.35Å |
| 16 | D | 38.9 | Very low | 41.1 | Very low | 98 Ų | 98 | 103.2 Ų | 103.2 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.5 | -32.1 | 179.7 | -76.1 | -22.1 | 0 | 0 | 0 | 112.4 | K12 S20 | K12-D16 PolarHBondContact O-N 2.95Å; D16-S20 PolarHBondContact O-N 3.12Å |
| 17 | G | 34.5 | Very low | 40.6 | Very low | 39 Ų | 39 | 103.2 Ų | 103.2 | 40% | 0.402 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.5 | -34.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L13 Q15 | L13-G17 PolarHBondContact O-N 3.02Å; Q15-G17 VanDerWaalsContact C-N 3.33Å; Q15-G17 PolarHBondContact O-N 3.37Å |
| 18 | S | 34.5 | Very low | 39.7 | Very low | 81 Ų | 81 | 105.8 Ų | 105.8 | 57% | 0.566 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.1 | -37.8 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | V14 Q15 S20 N21 A22 | V14-S18 PolarHBondContact O-N 3.17Å; V14-S18 VanDerWaalsContact O-N 3.17Å; Q15-S18 PolarHBondContact O-N 3.34Å; S18-S20 PolarHBondContact O-N 3.27Å; S18-N21 PolarHBondContact O-N 3.04Å; S18-A22 PolarHBondContact O-N 2.97Å |
| 19 | V | 37.6 | Very low | 38.8 | Very low | 84 Ų | 84 | 105.1 Ų | 105.1 | 51% | 0.509 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -32.9 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 112 | Q15 N21 A22 F23 | Q15-V19 WeakPolarHBondContact O-CG2 3.37Å; Q15-V19 PolarHBondContact O-N 3.35Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.77Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-F23 HydrophobicContact CG1-CD2 4.29Å; V19-F23 HydrophobicContact CG1-CE2 4.45Å |
| 20 | S | 34.8 | Very low | 38.3 | Very low | 57 Ų | 57 | 111.2 Ų | 111.2 | 40% | 0.399 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.2 | -26.8 | 176.6 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | D16 S18 | D16-S20 PolarHBondContact O-N 3.12Å; S18-S20 PolarHBondContact O-N 3.27Å |
| 21 | N | 35.3 | Very low | 37.3 | Very low | 128 Ų | 128 | 115 Ų | 115 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -85 | -20.7 | 177.3 | -75.2 | -21 | 0 | 0 | 0 | 113.4 | S18 V19 | S18-N21 PolarHBondContact O-N 3.04Å; V19-N21 VanDerWaalsContact C-N 3.33Å; V19-N21 PolarHBondContact O-N 2.77Å |
| 22 | A | 35 | Very low | 36.2 | Very low | 65 Ų | 65 | 115.8 Ų | 115.8 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -77.8 | -27.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S18 V19 L24 | S18-A22 PolarHBondContact O-N 2.97Å; V19-A22 PolarHBondContact O-N 3.48Å; A22-L24 PolarHBondContact O-N 3.39Å |
| 23 | F | 33.7 | Very low | 35.4 | Very low | 181 Ų | 181 | 120 Ų | 120 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -4.6 | -177.5 | -97.7 | -85.1 | 0 | 0 | 0 | 115.2 | V19 | V19-F23 HydrophobicContact CG1-CD2 4.29Å; V19-F23 HydrophobicContact CG1-CE2 4.45Å |
| 24 | L | 35.8 | Very low | 34.7 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 3.2 | -179.5 | -81.8 | 167.5 | 0 | 0 | 0 | 114.3 | A22 | A22-L24 PolarHBondContact O-N 3.39Š|
| 25 | N | 33.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | trans | -127.1 | 17.2 | -169.8 | -134.9 | 18.8 | 0 | 0 | 0 | 116.3 | G27 | N25-G27 PolarHBondContact O-N 2.98Š| ||
| 26 | E | 33.6 | Very low | 33.7 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 90% | 0.897 | 71% | 0.71 | S | S | * | * | trans | -97.2 | 87.4 | 174.5 | -69.8 | -152.1 | 149.8 | 0 | 0 | 112.3 | ||||
| 27 | G | 33.5 | Very low | 33.2 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | trans | -101.4 | 139.4 | 155 | 0 | 0 | 0 | 0 | 0 | 109.5 | N25 | N25-G27 PolarHBondContact O-N 2.98Š| ||
| 28 | P | 30.1 | Very low | 33.4 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | trans | -80.9 | 145.3 | -172.5 | 33.3 | -32 | 0 | 0 | 0 | 110.8 | ||||
| 29 | V | 34.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 160.8 | 120.8 | 134.7 | 163.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 30 | E | 31.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | 11.2 | 121.7 | 149.2 | -61.9 | 170.5 | 129.9 | 0 | 0 | 120 | ||||
| 31 | N | 32.7 | Very low | 33 | Very low | 160 Ų | 160 | 138.5 Ų | 138.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | 179.9 | 138 | 103.6 | -116.2 | -27.4 | 0 | 0 | 0 | 112.4 | |||||
| 32 | C | 24.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 126.9 | 171.4 | -80.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | Q | 34.5 | Very low | 33.5 | Very low | 187 Ų | 187 | 138.5 Ų | 138.5 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -150 | 115.8 | 147.7 | -126.8 | 152.5 | -41.5 | 0 | 0 | 112.3 | S35 | Q33-S35 PolarHBondContact O-N 3.47Š| ||
| 34 | E | 28.1 | Very low | 34.2 | Very low | 197 Ų | 197 | 137 Ų | 137 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -54.7 | 117 | 172.8 | -172.7 | 175.4 | -174.3 | 0 | 0 | 111.1 | ||||
| 35 | S | 31.8 | Very low | 34.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -155.6 | 112.8 | 164.9 | 52.4 | 0 | 0 | 0 | 0 | 112.9 | Q33 | Q33-S35 PolarHBondContact O-N 3.47Š| ||
| 36 | V | 37.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 134.3 Ų | 134.3 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 52.9 | 105.1 | 146.2 | -166.4 | 0 | 0 | 0 | 0 | 117.9 | V38 | V36-V38 HydrophobicContact CG1-CG2 4.2Å; V36-V38 PolarHBondContact O-N 2.88Å | ||
| 37 | D | 30.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -65.1 | 88.3 | 172.1 | -147.8 | -5.8 | 0 | 0 | 0 | 111.1 | ||||
| 38 | V | 38 | Very low | 39.6 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 70% | 0.697 | 76% | 0.757 | S | S | * | * | trans | -91.6 | 104.8 | 168.2 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | V36 P40 | V36-V38 HydrophobicContact CG1-CG2 4.2Å; V36-V38 PolarHBondContact O-N 2.88Å; V38-P40 WeakPolarHBondContact O-CD 3.49Å | ||
| 39 | K | 31.7 | Very low | 41.9 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 120.9 | 169 | -113.5 | 177 | 179.2 | 175.9 | 0 | 109.5 | G41 | K39-G41 PolarHBondContact O-N 3.12Š|
| 40 | P | 35.6 | Very low | 43.8 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69 | 123.4 | 171.1 | 26.9 | -29.4 | 0 | 0 | 0 | 108.3 | V38 V42 | V38-P40 WeakPolarHBondContact O-CD 3.49Å; P40-V42 PolarHBondContact O-N 3.48Å |
| 41 | G | 30.8 | Very low | 46.1 | Very low | 73 Ų | 73 | 121.1 Ų | 121.1 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 117.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | K39 A43 | K39-G41 PolarHBondContact O-N 3.12Å; G41-A43 VanDerWaalsContact C-N 3.3Å; G41-A43 PolarHBondContact O-N 3Å |
| 42 | V | 40.7 | Very low | 48.5 | Very low | 125 Ų | 125 | 115.9 Ų | 115.9 | 76% | 0.758 | 68% | 0.68 | S | S | * | * | trans | -66.9 | 94.2 | 168.3 | 177.3 | 0 | 0 | 0 | 0 | 106.6 | P40 | P40-V42 PolarHBondContact O-N 3.48Š| ||
| 43 | A | 40 | Very low | 51 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 56% | 0.562 | 65% | 0.645 | S | S | * | * | trans | -75.6 | 132.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | G41 N45 | G41-A43 VanDerWaalsContact C-N 3.3Å; G41-A43 PolarHBondContact O-N 3Å; A43-N45 PolarHBondContact O-N 3.48Å | ||
| 44 | D | 49 | Very low | 53 | Low | 150 Ų | 150 | 106 Ų | 106 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -24.8 | 3.2 | 173.9 | -58.9 | -35.2 | 0 | 0 | 0 | 121.8 | ||
| 45 | N | 51.2 | Low | 55.6 | Low | 124 Ų | 124 | 98.4 Ų | 98.4 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -75.8 | -24.3 | -177.4 | -71.6 | -23.4 | 0 | 0 | 0 | 114.2 | A43 L47 S48 P49 | A43-N45 PolarHBondContact O-N 3.48Å; N45-L47 VanDerWaalsContact C-N 3.27Å; N45-L47 PolarHBondContact O-N 3.46Å; N45-S48 PolarHBondContact O-N 3.42Å; N45-S48 PolarHBondContact O-OG 3.36Å; N45-P49 WeakPolarHBondContact O-CD 3.46Å |
| 46 | D | 58.8 | Low | 58 | Low | 118 Ų | 118 | 98 Ų | 98 | 63% | 0.631 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -70.5 | -19.9 | -179.7 | -71.1 | -17.6 | 0 | 0 | 0 | 113.6 | S48 P49 | D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 3.36Å; D46-P49 WeakPolarHBondContact O-CD 3.37Å; D46-P49 WeakPolarHBondContact O-CG 3.47Å |
| 47 | L | 68.1 | Low | 59.9 | Low | 125 Ų | 125 | 92.6 Ų | 92.6 | 65% | 0.654 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.3 | -31 | 177.4 | -176.3 | 61.2 | 0 | 0 | 0 | 111.8 | N45 L51 | N45-L47 VanDerWaalsContact C-N 3.27Å; N45-L47 PolarHBondContact O-N 3.46Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 2.94Å |
| 48 | S | 71.2 | Confident | 62.3 | Low | 81 Ų | 81 | 88 Ų | 88 | 57% | 0.566 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -48.1 | -175.5 | 69.1 | 0 | 0 | 0 | 0 | 114.3 | N45 D46 A52 | N45-S48 PolarHBondContact O-N 3.42Å; N45-S48 PolarHBondContact O-OG 3.36Å; D46-S48 VanDerWaalsContact C-N 3.31Å; D46-S48 PolarHBondContact O-N 3.36Å; S48-A52 WeakPolarHBondContact O-CB 3.04Å; S48-A52 PolarHBondContact O-N 2.97Å |
| 49 | P | 78.2 | Confident | 64.6 | Low | 41 Ų | 41 | 85.2 Ų | 85.2 | 27% | 0.266 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 175.3 | 26 | -34.8 | 0 | 0 | 0 | 112.2 | E10 N45 D46 L51 A52 G53 | E10-P49 WeakPolarHBondContact OE1-CB 3.38Å; N45-P49 WeakPolarHBondContact O-CD 3.46Å; D46-P49 WeakPolarHBondContact O-CD 3.37Å; D46-P49 WeakPolarHBondContact O-CG 3.47Å; P49-L51 PolarHBondContact O-N 2.98Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.21Å; P49-G53 PolarHBondContact O-N 3.06Å |
| 50 | A | 74.8 | Confident | 67.1 | Low | 43 Ų | 43 | 78.7 Ų | 78.7 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G53 I54 | A50-G53 PolarHBondContact O-N 3.33Å; A50-I54 WeakPolarHBondContact O-CG1 3.33Å; A50-I54 PolarHBondContact O-N 3.35Å |
| 51 | L | 81.4 | Confident | 69.3 | Low | 113 Ų | 113 | 75.3 Ų | 75.3 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.9 | -40.4 | 175 | -177.2 | 62.5 | 0 | 0 | 0 | 111.2 | L47 P49 I54 G55 | L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 PolarHBondContact O-N 2.94Å; P49-L51 PolarHBondContact O-N 2.98Å; L51-I54 PolarHBondContact O-N 3.06Å; L51-G55 PolarHBondContact O-N 3.34Å |
| 52 | A | 81.2 | Confident | 72 | Confident | 50 Ų | 50 | 75.9 Ų | 75.9 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | S48 P49 I54 G55 I56 | S48-A52 WeakPolarHBondContact O-CB 3.04Å; S48-A52 PolarHBondContact O-N 2.97Å; P49-A52 WeakPolarHBondContact O-CB 3.49Å; P49-A52 PolarHBondContact O-N 3.21Å; A52-I54 PolarHBondContact O-N 3.3Å; A52-G55 PolarHBondContact O-N 3.43Å; A52-I56 WeakPolarHBondContact O-CB 3.47Å; A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 WeakPolarHBondContact O-CG1 3.34Å; A52-I56 PolarHBondContact O-N 3Å |
| 53 | G | 77.9 | Confident | 74.3 | Confident | 8 Ų | 8 | 74.3 Ų | 74.3 | 8% | 0.082 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P49 A50 G57 | P49-G53 PolarHBondContact O-N 3.06Å; A50-G53 PolarHBondContact O-N 3.33Å; G53-G57 PolarHBondContact O-N 3.17Å |
| 54 | I | 77.7 | Confident | 76.5 | Confident | 92 Ų | 92 | 75 Ų | 75 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 172.2 | -67.1 | 167.8 | 0 | 0 | 0 | 110.2 | A50 L51 A52 I56 G57 V58 | A50-I54 WeakPolarHBondContact O-CG1 3.33Å; A50-I54 PolarHBondContact O-N 3.35Å; L51-I54 PolarHBondContact O-N 3.06Å; A52-I54 PolarHBondContact O-N 3.3Å; I54-I56 PolarHBondContact O-N 3.26Å; I54-G57 PolarHBondContact O-N 3.01Å; I54-V58 HydrophobicContact CG2-CG2 4.33Å; I54-V58 WeakPolarHBondContact O-CG2 3.3Å; I54-V58 PolarHBondContact O-N 3.09Å |
| 55 | G | 81.8 | Confident | 78.4 | Confident | 38 Ų | 38 | 68 Ų | 68 | 39% | 0.392 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 A52 G57 V58 A59 | L51-G55 PolarHBondContact O-N 3.34Å; A52-G55 PolarHBondContact O-N 3.43Å; G55-G57 PolarHBondContact O-N 3.46Å; G55-V58 PolarHBondContact O-N 3Å; G55-A59 VanDerWaalsContact O-CB 3.22Å; G55-A59 WeakPolarHBondContact O-CB 3.38Å; G55-A59 PolarHBondContact O-N 2.72Å |
| 56 | I | 83 | Confident | 80.4 | Confident | 94 Ų | 94 | 65.6 Ų | 65.6 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62 | -44 | 175.7 | -67.5 | 162.3 | 0 | 0 | 0 | 110.4 | L6 A52 I54 A59 S60 | L6-I56 HydrophobicContact CD1-CG2 4.14Å; A52-I56 WeakPolarHBondContact O-CB 3.47Å; A52-I56 WeakPolarHBondContact O-CD1 3.45Å; A52-I56 WeakPolarHBondContact O-CG1 3.34Å; A52-I56 PolarHBondContact O-N 3Å; I54-I56 PolarHBondContact O-N 3.26Å; I56-A59 PolarHBondContact O-N 3.11Å; I56-S60 VanDerWaalsContact O-CB 3.3Å; I56-S60 WeakPolarHBondContact O-CB 3.31Å; I56-S60 PolarHBondContact O-N 2.84Å; I56-S60 PolarHBondContact O-OG 2.92Å |
| 57 | G | 76.7 | Confident | 81.9 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.5 | -48.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G53 I54 G55 S60 M61 | G53-G57 PolarHBondContact O-N 3.17Å; I54-G57 PolarHBondContact O-N 3.01Å; G55-G57 PolarHBondContact O-N 3.46Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.89Å; G57-M61 PolarHBondContact O-N 3.43Å; G57-M61 VanDerWaalsContact O-N 3.13Å |
| 58 | V | 81.3 | Confident | 83.1 | Confident | 71 Ų | 71 | 56.8 Ų | 56.8 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 178.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | I54 G55 S60 M61 F62 | I54-V58 HydrophobicContact CG2-CG2 4.33Å; I54-V58 WeakPolarHBondContact O-CG2 3.3Å; I54-V58 PolarHBondContact O-N 3.09Å; G55-V58 PolarHBondContact O-N 3Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 3.28Å; V58-M61 WeakPolarHBondContact O-CB 3.43Å; V58-M61 PolarHBondContact O-N 2.88Å; V58-M61 VanDerWaalsContact O-N 3.16Å; V58-F62 HydrophobicContact CG1-CD2 3.61Å; V58-F62 HydrophobicContact CG1-CE2 3.26Å; V58-F62 HydrophobicContact CG1-CZ 4.39Å; V58-F62 WeakPolarHBondContact O-CD2 3.22Å; V58-F62 PolarHBondContact O-N 3.2Å |
| 59 | A | 85.1 | Confident | 84.2 | Confident | 56 Ų | 56 | 53 Ų | 53 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G55 I56 M61 F62 L63 | G55-A59 VanDerWaalsContact O-CB 3.22Å; G55-A59 WeakPolarHBondContact O-CB 3.38Å; G55-A59 PolarHBondContact O-N 2.72Å; I56-A59 PolarHBondContact O-N 3.11Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.91Å; A59-F62 PolarHBondContact O-N 3.37Å; A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 2.87Å |
| 60 | S | 84.6 | Confident | 85 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 37% | 0.371 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 176.2 | 73.8 | 0 | 0 | 0 | 0 | 112 | I56 G57 V58 L63 E64 | I56-S60 VanDerWaalsContact O-CB 3.3Å; I56-S60 WeakPolarHBondContact O-CB 3.31Å; I56-S60 PolarHBondContact O-N 2.84Å; I56-S60 PolarHBondContact O-OG 2.92Å; G57-S60 PolarHBondContact O-N 3.42Å; G57-S60 PolarHBondContact O-OG 2.89Å; V58-S60 VanDerWaalsContact C-N 3.33Å; V58-S60 PolarHBondContact O-N 3.28Å; S60-L63 PolarHBondContact O-N 3.48Å; S60-E64 WeakPolarHBondContact O-CB 3.44Å; S60-E64 PolarHBondContact O-N 3.37Å |
| 61 | M | 82.4 | Confident | 86 | Confident | 45 Ų | 45 | 51.4 Ų | 51.4 | 22% | 0.222 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 175.6 | -168.4 | -170 | 102.8 | 0 | 0 | 111.4 | G57 V58 A59 V65 R121 L125 | G57-M61 PolarHBondContact O-N 3.43Å; G57-M61 VanDerWaalsContact O-N 3.13Å; V58-M61 WeakPolarHBondContact O-CB 3.43Å; V58-M61 PolarHBondContact O-N 2.88Å; V58-M61 VanDerWaalsContact O-N 3.16Å; A59-M61 VanDerWaalsContact C-N 3.3Å; A59-M61 PolarHBondContact O-N 2.91Å; M61-V65 WeakPolarHBondContact O-CG2 3.41Å; M61-V65 PolarHBondContact O-N 3.49Å; M61-R121 HydrophobicContact CE-CB 3.36Å; M61-R121 HydrophobicContact CE-CG 4.06Å; M61-R121 HydrophobicContact SD-CB 4.24Å; M61-L125 HydrophobicContact SD-CD1 4.1Å |
| 62 | F | 87.6 | Confident | 86.6 | Confident | 85 Ų | 85 | 47.8 Ų | 47.8 | 37% | 0.373 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 176.3 | -77 | -66.1 | 0 | 0 | 0 | 111.5 | V58 A59 E64 V65 L66 F118 | V58-F62 HydrophobicContact CG1-CD2 3.61Å; V58-F62 HydrophobicContact CG1-CE2 3.26Å; V58-F62 HydrophobicContact CG1-CZ 4.39Å; V58-F62 WeakPolarHBondContact O-CD2 3.22Å; V58-F62 PolarHBondContact O-N 3.2Å; A59-F62 PolarHBondContact O-N 3.37Å; F62-E64 PolarHBondContact O-N 3.45Å; F62-V65 PolarHBondContact O-N 3.48Å; F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 VanDerWaalsContact O-CG 3.26Å; F62-L66 WeakPolarHBondContact O-CG 3.37Å; F62-L66 PolarHBondContact O-N 3.48Å; F62-F118 AromaticContact CD1-CD1 3.52Å; F62-F118 HydrophobicContact CD1-CD1 3.52Å; F62-F118 AromaticContact CD1-CE1 3.21Å; F62-F118 HydrophobicContact CD1-CE1 3.21Å; F62-F118 HydrophobicContact CD1-CE2 4.35Å; F62-F118 HydrophobicContact CD1-CG 4.27Å; F62-F118 AromaticContact CD1-CZ 3.67Å; F62-F118 HydrophobicContact CD1-CZ 3.67Å; F62-F118 AromaticContact CE1-CD1 3.49Å; F62-F118 HydrophobicContact CE1-CD1 3.49Å; F62-F118 VanDerWaalsContact CE1-CD1 3.49Å; F62-F118 HydrophobicContact CE1-CD2 4.46Å; F62-F118 AromaticContact CE1-CE1 3.72Å; F62-F118 HydrophobicContact CE1-CE1 3.72Å; F62-F118 AromaticContact CE1-CG 3.93Å; F62-F118 HydrophobicContact CE1-CG 3.93Å; F62-F118 HydrophobicContact CE1-CZ 4.26Å; F62-F118 HydrophobicContact CG-CE1 4.28Å |
| 63 | L | 88.2 | Confident | 87.3 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 48% | 0.476 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | -179.4 | -174.4 | 63.3 | 0 | 0 | 0 | 112 | A59 S60 V65 L66 L67 | A59-L63 WeakPolarHBondContact O-CB 3.38Å; A59-L63 PolarHBondContact O-N 2.87Å; S60-L63 PolarHBondContact O-N 3.48Å; L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 2.96Å; L63-L66 PolarHBondContact O-N 3.33Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 PolarHBondContact O-N 3.42Å |
| 64 | E | 86.3 | Confident | 88.1 | Confident | 82 Ų | 82 | 45.6 Ų | 45.6 | 38% | 0.383 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.4 | -175.8 | -179.8 | 170.1 | 0 | 0 | 111.2 | S60 F62 S68 | S60-E64 WeakPolarHBondContact O-CB 3.44Å; S60-E64 PolarHBondContact O-N 3.37Å; F62-E64 PolarHBondContact O-N 3.45Å; E64-S68 WeakPolarHBondContact O-CB 3.47Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 VanDerWaalsContact O-N 3.16Å; E64-S68 PolarHBondContact O-OG 2.89Å |
| 65 | V | 90 | Very high | 88.9 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.2 | -49.6 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | M61 F62 L63 L67 S68 H69 L114 V117 F118 R121 | M61-V65 WeakPolarHBondContact O-CG2 3.41Å; M61-V65 PolarHBondContact O-N 3.49Å; F62-V65 PolarHBondContact O-N 3.48Å; L63-V65 VanDerWaalsContact C-N 3.32Å; L63-V65 PolarHBondContact O-N 2.96Å; V65-L67 VanDerWaalsContact C-N 3.31Å; V65-L67 PolarHBondContact O-N 2.92Å; V65-S68 PolarHBondContact O-N 2.91Å; V65-S68 PolarHBondContact O-OG 2.9Å; V65-H69 WeakPolarHBondContact O-CB 3.39Å; V65-H69 PolarHBondContact O-N 3.48Å; V65-L114 HydrophobicContact CG1-CD1 3.85Å; V65-V117 HydrophobicContact CG1-CB 4.47Å; V65-V117 HydrophobicContact CG1-CG1 3.7Å; V65-V117 HydrophobicContact CG2-CG1 4.49Å; V65-F118 HydrophobicContact CB-CD1 4.46Å; V65-F118 HydrophobicContact CB-CE1 3.61Å; V65-F118 HydrophobicContact CB-CZ 4.2Å; V65-F118 HydrophobicContact CG1-CD1 4.12Å; V65-F118 HydrophobicContact CG1-CE1 3.44Å; V65-F118 VanDerWaalsContact CG1-CE1 3.44Å; V65-F118 HydrophobicContact CG1-CZ 3.79Å; V65-F118 HydrophobicContact CG2-CE1 4.11Å; V65-R121 HydrophobicContact CG2-CG 4.45Å |
| 66 | L | 92.3 | Very high | 89.5 | Confident | 73 Ų | 73 | 40.3 Ų | 40.3 | 38% | 0.382 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | -177.5 | -74.3 | 171.5 | 0 | 0 | 0 | 112.8 | F62 L63 L114 F118 | F62-L66 WeakPolarHBondContact O-CB 3.41Å; F62-L66 VanDerWaalsContact O-CG 3.26Å; F62-L66 WeakPolarHBondContact O-CG 3.37Å; F62-L66 PolarHBondContact O-N 3.48Å; L63-L66 PolarHBondContact O-N 3.33Å; L66-L114 HydrophobicContact CD2-CD1 4.22Å; L66-L114 HydrophobicContact CD2-CD2 3.73Å; L66-F118 HydrophobicContact CD2-CZ 4.11Å; L66-F118 HydrophobicContact CG-CZ 4.16Å |
| 67 | L | 90.6 | Very high | 90 | Very high | 48 Ų | 48 | 35.9 Ų | 35.9 | 25% | 0.251 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -74.6 | -35.5 | -177.6 | -170.9 | 65.7 | 0 | 0 | 0 | 112.5 | L63 V65 L418 Q419 F422 | L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 PolarHBondContact O-N 3.42Å; V65-L67 VanDerWaalsContact C-N 3.31Å; V65-L67 PolarHBondContact O-N 2.92Å; L67-L418 HydrophobicContact CD1-CD2 3.89Å; L67-L418 HydrophobicContact CG-CD2 4.44Å; L67-Q419 HydrophobicContact CD2-CG 4.2Å; L67-F422 HydrophobicContact CD2-CB 4.48Å; L67-F422 HydrophobicContact CD2-CD1 4.38Å; L67-F422 HydrophobicContact CD2-CG 4.32Å |
| 68 | S | 92.7 | Very high | 90.9 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -83.7 | -25.8 | -179.1 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | E64 V65 F71 I72 | E64-S68 WeakPolarHBondContact O-CB 3.47Å; E64-S68 PolarHBondContact O-N 3.32Å; E64-S68 VanDerWaalsContact O-N 3.16Å; E64-S68 PolarHBondContact O-OG 2.89Å; V65-S68 PolarHBondContact O-N 2.91Å; V65-S68 PolarHBondContact O-OG 2.9Å; S68-F71 PolarHBondContact O-N 3.37Å; S68-F71 VanDerWaalsContact O-N 3.11Å; S68-I72 PolarHBondContact O-N 2.88Å |
| 69 | H | 94.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.4 | -45.4 | -169.4 | -168.5 | -81.7 | 0 | 0 | 0 | 115.4 | V65 F71 I72 V73 L110 W111 K112 L114 | V65-H69 WeakPolarHBondContact O-CB 3.39Å; V65-H69 PolarHBondContact O-N 3.48Å; H69-F71 PolarHBondContact O-N 3.05Å; H69-I72 PolarHBondContact O-N 3.2Å; H69-I72 VanDerWaalsContact O-N 3.11Å; H69-V73 WeakPolarHBondContact CE1-CG2 3.44Å; H69-V73 WeakPolarHBondContact ND1-CG2 3.38Å; H69-V73 WeakPolarHBondContact O-CG2 3.25Å; H69-V73 PolarHBondContact O-N 3.42Å; H69-L110 PolarHBondContact ND1-O 2.94Å; H69-W111 VanDerWaalsContact CE1-C 3.49Å; H69-W111 AromaticContact ND1-CD1 3.84Å; H69-K112 PolarHBondContact CE1-O 3.03Å; H69-K112 PolarHBondContact NE2-O 3.42Å; H69-L114 HydrophobicContact CB-CD1 3.99Å; H69-L114 VanDerWaalsContact CD2-CD1 3.43Å; H69-L114 WeakPolarHBondContact CD2-CD1 3.25Å; H69-L114 VanDerWaalsContact NE2-CA 3.34Å; H69-L114 WeakPolarHBondContact NE2-CA 3.33Å; H69-L114 PolarHBondContact NE2-N 2.87Å |
| 70 | P | 95.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 10% | 0.097 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.6 | -40.2 | 178.1 | -30.2 | 39.1 | 0 | 0 | 0 | 113.7 | I74 L110 W111 | P70-I74 WeakPolarHBondContact O-CD1 3.25Å; P70-I74 VanDerWaalsContact O-CG1 3.26Å; P70-I74 WeakPolarHBondContact O-CG1 3.47Å; P70-I74 PolarHBondContact O-N 2.91Å; P70-I74 VanDerWaalsContact O-N 3.16Å; P70-L110 WeakPolarHBondContact CA-O 3.49Å; P70-L110 HydrophobicContact CB-CB 3.97Å; P70-L110 HydrophobicContact CB-CD1 4.38Å; P70-L110 HydrophobicContact CB-CD2 4.2Å; P70-L110 HydrophobicContact CB-CG 4.41Å; P70-L110 HydrophobicContact CG-CB 4.27Å; P70-W111 HydrophobicContact CG-CD2 4.4Å; P70-W111 HydrophobicContact CG-CH2 3.86Å; P70-W111 HydrophobicContact CG-CZ2 3.47Å; P70-W111 VanDerWaalsContact CG-CZ2 3.47Å; P70-W111 HydrophobicContact CG-CZ3 4.46Å |
| 71 | F | 95.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.5 | -36.9 | -179.1 | -58.4 | -78.7 | 0 | 0 | 0 | 111.8 | S68 H69 V73 I74 R75 A411 A414 Q415 L418 | S68-F71 PolarHBondContact O-N 3.37Å; S68-F71 VanDerWaalsContact O-N 3.11Å; H69-F71 PolarHBondContact O-N 3.05Å; F71-V73 VanDerWaalsContact C-N 3.34Å; F71-I74 PolarHBondContact O-N 2.86Å; F71-R75 WeakPolarHBondContact O-CB 3.19Å; F71-R75 PolarHBondContact O-N 3.01Å; F71-A411 WeakPolarHBondContact CD1-O 3.16Å; F71-A414 HydrophobicContact CD1-CB 3.73Å; F71-A414 HydrophobicContact CE1-CB 3.43Å; F71-A414 VanDerWaalsContact CE1-CB 3.43Å; F71-A414 HydrophobicContact CZ-CB 4.43Å; F71-Q415 HydrophobicContact CB-CB 3.66Å; F71-Q415 HydrophobicContact CB-CG 4.07Å; F71-Q415 HydrophobicContact CD1-CB 4.28Å; F71-Q415 HydrophobicContact CD2-CB 3.89Å; F71-Q415 HydrophobicContact CD2-CG 4.02Å; F71-Q415 HydrophobicContact CG-CB 3.66Å; F71-Q415 HydrophobicContact CG-CG 4.2Å; F71-L418 HydrophobicContact CE2-CB 4.37Å; F71-L418 HydrophobicContact CE2-CD2 3.55Å; F71-L418 HydrophobicContact CZ-CB 4.29Å; F71-L418 HydrophobicContact CZ-CD2 3.84Å |
| 72 | I | 94.6 | Very high | 92.2 | Very high | 36 Ų | 36 | 28.3 Ų | 28.3 | 19% | 0.185 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 174.5 | -64 | 169.4 | 0 | 0 | 0 | 110 | S68 H69 R75 N76 | S68-I72 PolarHBondContact O-N 2.88Å; H69-I72 PolarHBondContact O-N 3.2Å; H69-I72 VanDerWaalsContact O-N 3.11Å; I72-R75 PolarHBondContact O-N 3.44Å; I72-N76 VanDerWaalsContact O-CB 3.27Å; I72-N76 WeakPolarHBondContact O-CB 3.34Å; I72-N76 PolarHBondContact O-N 2.83Å; I72-N76 PolarHBondContact O-OD1 3.16Å; I72-N76 VanDerWaalsContact O-OD1 3.12Å |
| 73 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.6 | -54.2 | 177.4 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | H69 F71 R75 N76 Q77 F109 K112 I175 | H69-V73 WeakPolarHBondContact CE1-CG2 3.44Å; H69-V73 WeakPolarHBondContact ND1-CG2 3.38Å; H69-V73 WeakPolarHBondContact O-CG2 3.25Å; H69-V73 PolarHBondContact O-N 3.42Å; F71-V73 VanDerWaalsContact C-N 3.34Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.01Å; V73-N76 PolarHBondContact O-N 3.48Å; V73-Q77 HydrophobicContact CG1-CG 4.25Å; V73-Q77 WeakPolarHBondContact O-CG 3.38Å; V73-Q77 PolarHBondContact O-N 3.27Å; V73-F109 WeakPolarHBondContact CG1-O 3.2Å; V73-K112 HydrophobicContact CG1-CB 4.43Å; V73-I175 HydrophobicContact CG2-CG2 4.11Å |
| 74 | I | 94.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 7% | 0.067 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.7 | -45.4 | -179.2 | -67.8 | 164.2 | 0 | 0 | 0 | 111.2 | P70 F71 C78 L94 V98 F109 L110 M372 A411 | P70-I74 WeakPolarHBondContact O-CD1 3.25Å; P70-I74 VanDerWaalsContact O-CG1 3.26Å; P70-I74 WeakPolarHBondContact O-CG1 3.47Å; P70-I74 PolarHBondContact O-N 2.91Å; P70-I74 VanDerWaalsContact O-N 3.16Å; F71-I74 PolarHBondContact O-N 2.86Å; I74-C78 PolarHBondContact O-N 3.3Å; I74-C78 PolarHBondContact O-SG 3.29Å; I74-L94 HydrophobicContact CG2-CD1 4.09Å; I74-L94 HydrophobicContact CG2-CD2 3.81Å; I74-L94 HydrophobicContact CG2-CG 4.45Å; I74-V98 HydrophobicContact CD1-CG1 4.05Å; I74-V98 HydrophobicContact CD1-CG2 3.75Å; I74-V98 HydrophobicContact CG1-CG2 4.04Å; I74-V98 HydrophobicContact CG2-CG2 4.08Å; I74-F109 HydrophobicContact CG1-CE1 4.03Å; I74-F109 HydrophobicContact CG1-CZ 4.35Å; I74-L110 HydrophobicContact CD1-CD2 3.69Å; I74-L110 HydrophobicContact CG1-CD2 3.99Å; I74-M372 HydrophobicContact CG2-CE 3.86Å; I74-A411 HydrophobicContact CB-CB 4.37Å; I74-A411 HydrophobicContact CG2-CB 4.02Å |
| 75 | R | 95.3 | Very high | 91.6 | Very high | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.045 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -50.4 | 179.1 | -174.7 | -174.7 | 58 | 172.1 | -7.3 | 111.3 | F71 I72 V73 Q77 C78 Q79 Y351 E354 A411 | F71-R75 WeakPolarHBondContact O-CB 3.19Å; F71-R75 PolarHBondContact O-N 3.01Å; I72-R75 PolarHBondContact O-N 3.44Å; V73-R75 VanDerWaalsContact C-N 3.3Å; V73-R75 PolarHBondContact O-N 3.01Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.45Å; R75-C78 WeakPolarHBondContact O-CB 3.49Å; R75-C78 PolarHBondContact O-N 3.41Å; R75-C78 VanDerWaalsContact O-N 3.09Å; R75-Q79 HydrophobicContact CG-CG 4.35Å; R75-Q79 WeakPolarHBondContact O-CG 3.16Å; R75-Q79 PolarHBondContact O-N 3.2Å; R75-Y351 HydrophobicContact CG-CE2 4.25Å; R75-Y351 WeakPolarHBondContact CG-OH 3.03Å; R75-E354 VanDerWaalsContact CZ-CD 3.47Å; R75-E354 IonicContact CZ-OE1 3.86Å; R75-E354 IonicContact CZ-OE2 3.59Å; R75-E354 IonicContact NE-OE1 2.76Å; R75-E354 IonicContact NE-OE2 3.98Å; R75-E354 IonicContact NH1-OE1 2.65Å; R75-E354 PolarHBondContact NH1-OE1 2.86Å; R75-E354 IonicContact NH1-OE2 3.7Å; R75-E354 PolarHBondContact NH1-OE2 3.39Å; R75-E354 IonicContact NH2-OE1 3.42Å; R75-E354 PolarHBondContact NH2-OE1 3.39Å; R75-E354 IonicContact NH2-OE2 2.87Å; R75-A411 HydrophobicContact CB-CB 3.88Å |
| 76 | N | 94.7 | Very high | 91.5 | Very high | 7 Ų | 7 | 32 Ų | 32 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | -176.5 | -68.7 | 7.2 | 0 | 0 | 0 | 111.4 | I72 V73 C78 Q79 V80 I175 I176 L358 | I72-N76 VanDerWaalsContact O-CB 3.27Å; I72-N76 WeakPolarHBondContact O-CB 3.34Å; I72-N76 PolarHBondContact O-N 2.83Å; I72-N76 PolarHBondContact O-OD1 3.16Å; I72-N76 VanDerWaalsContact O-OD1 3.12Å; V73-N76 PolarHBondContact O-N 3.48Å; N76-C78 VanDerWaalsContact C-N 3.32Å; N76-C78 PolarHBondContact O-N 3.47Å; N76-Q79 PolarHBondContact O-N 2.9Å; N76-Q79 PolarHBondContact OD1-OE1 3.34Å; N76-V80 VanDerWaalsContact O-CG2 3.29Å; N76-V80 WeakPolarHBondContact O-CG2 3.1Å; N76-V80 PolarHBondContact O-N 3.46Å; N76-V80 VanDerWaalsContact O-N 3.16Å; N76-I175 HydrophobicContact CB-CG2 4.42Å; N76-I176 HydrophobicContact CB-CG2 3.65Å; N76-L358 HydrophobicContact CB-CD1 4.36Å |
| 77 | Q | 93.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59 | -43.2 | 173.3 | -64.6 | -78.7 | -19.5 | 0 | 0 | 111.3 | V73 R75 I176 M372 | V73-Q77 HydrophobicContact CG1-CG 4.25Å; V73-Q77 WeakPolarHBondContact O-CG 3.38Å; V73-Q77 PolarHBondContact O-N 3.27Å; R75-Q77 VanDerWaalsContact C-N 3.3Å; R75-Q77 PolarHBondContact O-N 3.45Å; Q77-I176 VanDerWaalsContact NE2-C 3.28Å; Q77-I176 VanDerWaalsContact NE2-CA 3.29Å; Q77-I176 PolarHBondContact NE2-O 3.46Å; Q77-M372 HydrophobicContact CB-CG 3.74Å; Q77-M372 HydrophobicContact CB-SD 4.1Å |
| 78 | C | 93.9 | Very high | 91.5 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.027 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.3 | -38.8 | 177.2 | -60.9 | 0 | 0 | 0 | 0 | 112.9 | I74 R75 N76 K407 | I74-C78 PolarHBondContact O-N 3.3Å; I74-C78 PolarHBondContact O-SG 3.29Å; R75-C78 WeakPolarHBondContact O-CB 3.49Å; R75-C78 PolarHBondContact O-N 3.41Å; R75-C78 VanDerWaalsContact O-N 3.09Å; N76-C78 VanDerWaalsContact C-N 3.32Å; N76-C78 PolarHBondContact O-N 3.47Å; C78-K407 HydrophobicContact CB-CB 4.48Å |
| 79 | Q | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.3 | -35.7 | -174.4 | -75.9 | 170.6 | -39.8 | 0 | 0 | 113 | R75 N76 Y351 E354 T355 L358 R359 K407 | R75-Q79 HydrophobicContact CG-CG 4.35Å; R75-Q79 WeakPolarHBondContact O-CG 3.16Å; R75-Q79 PolarHBondContact O-N 3.2Å; N76-Q79 PolarHBondContact O-N 2.9Å; N76-Q79 PolarHBondContact OD1-OE1 3.34Å; Q79-Y351 HydrophobicContact CG-CE1 4.33Å; Q79-Y351 VanDerWaalsContact NE2-CE1 3.27Å; Q79-Y351 PolarHBondContact NE2-OH 3.2Å; Q79-E354 PolarHBondContact NE2-OE2 3.42Å; Q79-T355 HydrophobicContact CB-CG2 4.01Å; Q79-T355 HydrophobicContact CG-CG2 4.23Å; Q79-T355 WeakPolarHBondContact CG-OG1 3.32Å; Q79-T355 PolarHBondContact NE2-OG1 3.43Å; Q79-T355 VanDerWaalsContact NE2-OG1 3.15Å; Q79-L358 HydrophobicContact CB-CD1 3.97Å; Q79-L358 HydrophobicContact CG-CD1 4.46Å; Q79-R359 PolarHBondContact O-NE 2.78Å; Q79-R359 PolarHBondContact O-NH2 3.45Å; Q79-K407 VanDerWaalsContact CG-O 3.31Å; Q79-K407 WeakPolarHBondContact CG-O 3.35Å |
| 80 | V | 92.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.6 | -31.9 | -176.6 | 171.1 | 0 | 0 | 0 | 0 | 112.4 | N76 E82 I176 L358 V362 V369 I381 | N76-V80 VanDerWaalsContact O-CG2 3.29Å; N76-V80 WeakPolarHBondContact O-CG2 3.1Å; N76-V80 PolarHBondContact O-N 3.46Å; N76-V80 VanDerWaalsContact O-N 3.16Å; V80-E82 PolarHBondContact O-N 2.88Å; V80-I176 HydrophobicContact CG1-CD1 4.45Å; V80-I176 HydrophobicContact CG2-CG2 4.17Å; V80-L358 HydrophobicContact CG2-CB 4.18Å; V80-V362 HydrophobicContact CG1-CG1 4.17Å; V80-V362 HydrophobicContact CG2-CG2 4.31Å; V80-V369 HydrophobicContact CG1-CG2 4.33Å; V80-I381 HydrophobicContact CG1-CD1 3.34Å; V80-I381 HydrophobicContact CG1-CG1 3.95Å |
| 81 | L | 89.4 | Confident | 91.2 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.19 | C | C | . | . | trans | -87.9 | 96.2 | -176.4 | -169.3 | 59.7 | 0 | 0 | 0 | 112.8 | S83 S84 V379 K407 | L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 WeakPolarHBondContact CD1-OG 3.46Å; L81-S83 PolarHBondContact O-N 3Å; L81-S84 PolarHBondContact O-N 2.92Å; L81-V379 HydrophobicContact CD1-CG1 3.81Å; L81-K407 PolarHBondContact O-NZ 3.18Å | ||
| 82 | E | 85.2 | Confident | 91.1 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 26% | 0.262 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -35.8 | 178.1 | -173.7 | 172.4 | -164.5 | 0 | 0 | 112.8 | V80 S84 Y385 S394 K407 | V80-E82 PolarHBondContact O-N 2.88Å; E82-S84 VanDerWaalsContact C-N 3.32Å; E82-S84 PolarHBondContact O-N 3.35Å; E82-Y385 PolarHBondContact OE2-OH 3.5Å; E82-S394 PolarHBondContact OE1-OG 3.26Å; E82-K407 PolarHBondContact O-NZ 3.05Å |
| 83 | S | 82.1 | Confident | 91.1 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 66% | 0.657 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.4 | -176.2 | 57.4 | 0 | 0 | 0 | 0 | 115.5 | L81 | L81-S83 VanDerWaalsContact C-N 3.32Å; L81-S83 WeakPolarHBondContact CD1-OG 3.46Å; L81-S83 PolarHBondContact O-N 3Å |
| 84 | S | 84.5 | Confident | 91 | Very high | 10 Ų | 10 | 41.7 Ų | 41.7 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | trans | -62.2 | 137.1 | -178.5 | 148.9 | 0 | 0 | 0 | 0 | 111.8 | L81 E82 C86 D373 K407 | L81-S84 PolarHBondContact O-N 2.92Å; E82-S84 VanDerWaalsContact C-N 3.32Å; E82-S84 PolarHBondContact O-N 3.35Å; S84-C86 PolarHBondContact OG-N 3.02Å; S84-C86 PolarHBondContact OG-O 3.4Å; S84-C86 VanDerWaalsContact OG-O 3.07Å; S84-D373 WeakPolarHBondContact CA-OD2 3.42Å; S84-D373 WeakPolarHBondContact CB-OD1 3.34Å; S84-D373 WeakPolarHBondContact CB-OD2 3.47Å; S84-D373 PolarHBondContact OG-OD1 2.88Å; S84-D373 PolarHBondContact OG-OD2 3.43Å; S84-K407 PolarHBondContact O-NZ 2.64Å | ||
| 85 | Q | 82.8 | Confident | 91 | Very high | 186 Ų | 186 | 46 Ų | 46 | 87% | 0.869 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -81.8 | -31 | -178.7 | -64.8 | -174.9 | -8.6 | 0 | 0 | 112.3 | D373 | Q85-D373 PolarHBondContact N-OD1 3.24Å; Q85-D373 PolarHBondContact N-OD2 3.2Å |
| 86 | C | 87.2 | Confident | 90.9 | Very high | 50 Ų | 50 | 49 Ų | 49 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | trans | -96.5 | 122.8 | -178.8 | -160.8 | 0 | 0 | 0 | 0 | 111.7 | S84 H88 D373 | S84-C86 PolarHBondContact OG-N 3.02Å; S84-C86 PolarHBondContact OG-O 3.4Å; S84-C86 VanDerWaalsContact OG-O 3.07Å; C86-H88 PolarHBondContact SG-CE1 3.39Å; C86-D373 WeakPolarHBondContact CB-OD1 3.49Å; C86-D373 PolarHBondContact N-OD1 2.95Å | ||
| 87 | L | 90 | Very high | 90.8 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 17% | 0.173 | 27% | 0.269 | C | S | . | . | trans | -78.4 | -21.8 | -178.2 | -60.1 | 174.6 | 0 | 0 | 0 | 113.8 | L89 V400 L403 K407 G408 | L87-L89 HydrophobicContact CB-CD1 4.14Å; L87-L89 HydrophobicContact CB-CG 3.93Å; L87-L89 HydrophobicContact CD1-CD1 4.06Å; L87-L89 PolarHBondContact O-N 3.48Å; L87-V400 HydrophobicContact CD1-CG1 3.97Å; L87-V400 HydrophobicContact CD2-CG1 3.77Å; L87-V400 HydrophobicContact CG-CG1 4.48Å; L87-L403 HydrophobicContact CD1-CD2 3.72Å; L87-L403 HydrophobicContact CD1-CG 3.95Å; L87-K407 HydrophobicContact CD2-CD 4.23Å; L87-K407 HydrophobicContact CD2-CG 3.64Å; L87-K407 CarbonylContact O-C 3.52Å; L87-K407 WeakPolarHBondContact O-CA 3.23Å; L87-G408 PolarHBondContact O-N 3.23Å | ||
| 88 | H | 92.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | trans | 50.9 | 48.4 | -176.9 | -65.8 | -64.2 | 0 | 0 | 0 | 114.9 | C86 T93 L94 M372 G408 F409 G410 | C86-H88 PolarHBondContact SG-CE1 3.39Å; H88-T93 VanDerWaalsContact CA-OG1 3.29Å; H88-T93 WeakPolarHBondContact CA-OG1 3.3Å; H88-T93 PolarHBondContact CE1-O 3.15Å; H88-T93 VanDerWaalsContact CE1-O 3.26Å; H88-T93 PolarHBondContact ND1-O 3.44Å; H88-T93 PolarHBondContact ND1-OG1 3.12Å; H88-L94 HydrophobicContact CB-CD2 3.5Å; H88-L94 HydrophobicContact CB-CG 3.82Å; H88-L94 VanDerWaalsContact CG-CD2 3.47Å; H88-M372 PolarHBondContact NE2-O 3.09Å; H88-G408 CarbonylContact O-C 3.6Å; H88-F409 PolarHBondContact O-N 3.04Å; H88-G410 PolarHBondContact O-N 3.45Å | ||
| 89 | L | 92 | Very high | 90.8 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | trans | -71.5 | -27.9 | -178.2 | -70 | 161 | 0 | 0 | 0 | 113.2 | L87 L403 F406 F409 G410 | L87-L89 HydrophobicContact CB-CD1 4.14Å; L87-L89 HydrophobicContact CB-CG 3.93Å; L87-L89 HydrophobicContact CD1-CD1 4.06Å; L87-L89 PolarHBondContact O-N 3.48Å; L89-L403 HydrophobicContact CD1-CD1 4.29Å; L89-L403 HydrophobicContact CD1-CD2 4.27Å; L89-L403 HydrophobicContact CD1-CG 4.44Å; L89-L403 HydrophobicContact CD2-CD1 4.11Å; L89-F406 HydrophobicContact CD2-CB 4.06Å; L89-F409 HydrophobicContact CD2-CB 4.34Å; L89-G410 WeakPolarHBondContact O-CA 3.48Å; L89-G410 PolarHBondContact O-N 3.24Å | ||
| 90 | T | 93.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 61.9 Ų | 61.9 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -111.7 | 145.5 | 178.4 | 67 | 0 | 0 | 0 | 0 | 110.4 | F92 T93 | T90-F92 PolarHBondContact O-N 3.31Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.88Å; T90-T93 WeakPolarHBondContact OG1-CG2 3.34Å |
| 91 | P | 91.9 | Very high | 90.7 | Very high | 34 Ų | 34 | 61.7 Ų | 61.7 | 22% | 0.221 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -32.7 | -177 | 23.9 | -35.4 | 0 | 0 | 0 | 112.9 | T93 L94 I413 A414 | P91-T93 VanDerWaalsContact C-N 3.27Å; P91-T93 PolarHBondContact O-N 3.31Å; P91-L94 WeakPolarHBondContact O-CB 3.17Å; P91-L94 PolarHBondContact O-N 2.99Å; P91-L94 VanDerWaalsContact O-N 3.11Å; P91-I413 HydrophobicContact CG-CG2 4.45Å; P91-A414 HydrophobicContact CB-CB 3.99Å |
| 92 | F | 94.2 | Very high | 90.9 | Very high | 159 Ų | 159 | 63.3 Ų | 63.3 | 70% | 0.697 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63 | -32.2 | -178.7 | -56 | -68.7 | 0 | 0 | 0 | 113.6 | T90 L94 I95 P96 | T90-F92 PolarHBondContact O-N 3.31Å; F92-L94 PolarHBondContact O-N 3.17Å; F92-I95 HydrophobicContact CD1-CD1 4.07Å; F92-I95 PolarHBondContact O-N 3.07Å; F92-P96 WeakPolarHBondContact O-CD 3.35Å |
| 93 | T | 93.4 | Very high | 91.2 | Very high | 53 Ų | 53 | 67 Ų | 67 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.9 | -23.2 | 178.2 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | H88 T90 P91 | H88-T93 VanDerWaalsContact CA-OG1 3.29Å; H88-T93 WeakPolarHBondContact CA-OG1 3.3Å; H88-T93 PolarHBondContact CE1-O 3.15Å; H88-T93 VanDerWaalsContact CE1-O 3.26Å; H88-T93 PolarHBondContact ND1-O 3.44Å; H88-T93 PolarHBondContact ND1-OG1 3.12Å; T90-T93 PolarHBondContact O-N 2.87Å; T90-T93 PolarHBondContact O-OG1 2.88Å; T90-T93 WeakPolarHBondContact OG1-CG2 3.34Å; P91-T93 VanDerWaalsContact C-N 3.27Å; P91-T93 PolarHBondContact O-N 3.31Å |
| 94 | L | 93.5 | Very high | 91.5 | Very high | 9 Ų | 9 | 64.8 Ų | 64.8 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -79.5 | -31.3 | 178.9 | -71.5 | 165 | 0 | 0 | 0 | 112.3 | I74 H88 P91 F92 V97 V98 M372 A411 | I74-L94 HydrophobicContact CG2-CD1 4.09Å; I74-L94 HydrophobicContact CG2-CD2 3.81Å; I74-L94 HydrophobicContact CG2-CG 4.45Å; H88-L94 HydrophobicContact CB-CD2 3.5Å; H88-L94 HydrophobicContact CB-CG 3.82Å; H88-L94 VanDerWaalsContact CG-CD2 3.47Å; P91-L94 WeakPolarHBondContact O-CB 3.17Å; P91-L94 PolarHBondContact O-N 2.99Å; P91-L94 VanDerWaalsContact O-N 3.11Å; F92-L94 PolarHBondContact O-N 3.17Å; L94-V97 PolarHBondContact O-N 2.82Å; L94-V97 VanDerWaalsContact O-N 3.16Å; L94-V98 HydrophobicContact CB-CG2 4.22Å; L94-V98 WeakPolarHBondContact O-CB 3.41Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.45Å; L94-M372 HydrophobicContact CD2-CE 3.88Å; L94-A411 HydrophobicContact CD1-CB 3.76Å; L94-A411 VanDerWaalsContact CD1-N 3.28Å |
| 95 | I | 93.9 | Very high | 91.7 | Very high | 102 Ų | 102 | 65.8 Ų | 65.8 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -49.5 | -52.2 | -175.7 | -59.4 | 175.9 | 0 | 0 | 0 | 113.3 | F92 V97 R99 | F92-I95 HydrophobicContact CD1-CD1 4.07Å; F92-I95 PolarHBondContact O-N 3.07Å; I95-V97 PolarHBondContact O-N 2.85Å; I95-R99 WeakPolarHBondContact O-CB 3.39Å; I95-R99 PolarHBondContact O-N 3.24Å |
| 96 | P | 93.4 | Very high | 92.1 | Very high | 77 Ų | 77 | 58.5 Ų | 58.5 | 50% | 0.5 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | -178.1 | 24.1 | -34.1 | 0 | 0 | 0 | 112.8 | F92 K100 | F92-P96 WeakPolarHBondContact O-CD 3.35Å; P96-K100 PolarHBondContact O-N 3.3Å |
| 97 | V | 93 | Very high | 92.2 | Very high | 12 Ų | 12 | 61.5 Ų | 61.5 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -71 | -48.9 | -179.4 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | L94 I95 R99 K100 C101 M372 | L94-V97 PolarHBondContact O-N 2.82Å; L94-V97 VanDerWaalsContact O-N 3.16Å; I95-V97 PolarHBondContact O-N 2.85Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 2.93Å; V97-K100 WeakPolarHBondContact O-CB 3.5Å; V97-K100 PolarHBondContact O-N 3.36Å; V97-C101 PolarHBondContact O-N 3.32Å; V97-C101 PolarHBondContact O-SG 3.44Å; V97-C101 VanDerWaalsContact O-SG 3.35Å; V97-M372 HydrophobicContact CG1-CB 4.47Å; V97-M372 HydrophobicContact CG1-CE 3.94Å; V97-M372 WeakPolarHBondContact CG1-O 3.46Å; V97-M372 HydrophobicContact CG1-SD 4.26Å; V97-M372 WeakPolarHBondContact CG2-O 2.92Å |
| 98 | V | 94 | Very high | 92.1 | Very high | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | I74 L94 K100 C101 I102 F109 L110 M372 | I74-V98 HydrophobicContact CD1-CG1 4.05Å; I74-V98 HydrophobicContact CD1-CG2 3.75Å; I74-V98 HydrophobicContact CG1-CG2 4.04Å; I74-V98 HydrophobicContact CG2-CG2 4.08Å; L94-V98 HydrophobicContact CB-CG2 4.22Å; L94-V98 WeakPolarHBondContact O-CB 3.41Å; L94-V98 VanDerWaalsContact O-CG2 3.27Å; L94-V98 WeakPolarHBondContact O-CG2 3.41Å; L94-V98 PolarHBondContact O-N 3.45Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.85Å; V98-C101 PolarHBondContact O-N 2.95Å; V98-I102 HydrophobicContact CG1-CD1 3.71Å; V98-I102 HydrophobicContact CG1-CG1 4.3Å; V98-I102 WeakPolarHBondContact O-CB 3.31Å; V98-I102 VanDerWaalsContact O-CG1 3.27Å; V98-I102 WeakPolarHBondContact O-CG1 3.36Å; V98-I102 PolarHBondContact O-N 3.29Å; V98-F109 HydrophobicContact CG1-CE1 4.45Å; V98-L110 HydrophobicContact CG1-CD2 4.41Å; V98-M372 HydrophobicContact CG2-CE 4.15Å |
| 99 | R | 94.2 | Very high | 92.1 | Very high | 167 Ų | 167 | 62.9 Ų | 62.9 | 63% | 0.63 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 174.4 | -177.5 | 176.9 | 176.2 | 166.1 | 1.2 | 111.9 | I95 V97 I102 Q103 | I95-R99 WeakPolarHBondContact O-CB 3.39Å; I95-R99 PolarHBondContact O-N 3.24Å; V97-R99 VanDerWaalsContact C-N 3.27Å; V97-R99 PolarHBondContact O-N 2.93Å; R99-I102 PolarHBondContact O-N 3.02Å; R99-Q103 WeakPolarHBondContact O-CB 3.3Å; R99-Q103 VanDerWaalsContact O-CG 3.22Å; R99-Q103 WeakPolarHBondContact O-CG 3.46Å; R99-Q103 PolarHBondContact O-N 2.9Å |
| 100 | K | 93.3 | Very high | 92.1 | Very high | 83 Ų | 83 | 60.9 Ų | 60.9 | 36% | 0.361 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 175.3 | -74 | -176.9 | 171.1 | -161.7 | 0 | 112.6 | P96 V97 V98 I102 Q103 S104 T374 D376 | P96-K100 PolarHBondContact O-N 3.3Å; V97-K100 WeakPolarHBondContact O-CB 3.5Å; V97-K100 PolarHBondContact O-N 3.36Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.85Å; K100-I102 VanDerWaalsContact C-N 3.34Å; K100-I102 PolarHBondContact O-N 3.17Å; K100-Q103 PolarHBondContact O-N 2.84Å; K100-Q103 VanDerWaalsContact O-N 3.15Å; K100-S104 PolarHBondContact O-N 2.99Å; K100-S104 PolarHBondContact O-OG 3.47Å; K100-T374 WeakPolarHBondContact CD-O 3.42Å; K100-D376 IonicContact NZ-OD2 2.78Å |
| 101 | C | 91.9 | Very high | 92 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 173.9 | -64.5 | 0 | 0 | 0 | 0 | 111.1 | V97 V98 Q103 S104 Q105 F109 | V97-C101 PolarHBondContact O-N 3.32Å; V97-C101 PolarHBondContact O-SG 3.44Å; V97-C101 VanDerWaalsContact O-SG 3.35Å; V98-C101 PolarHBondContact O-N 2.95Å; C101-Q103 VanDerWaalsContact C-N 3.32Å; C101-Q103 PolarHBondContact O-N 3.2Å; C101-S104 PolarHBondContact O-N 3.32Å; C101-S104 VanDerWaalsContact O-N 3.15Å; C101-S104 PolarHBondContact O-OG 3.16Å; C101-Q105 PolarHBondContact O-N 3.44Å; C101-F109 HydrophobicContact CB-CD1 3.86Å; C101-F109 HydrophobicContact CB-CD2 4.23Å; C101-F109 HydrophobicContact CB-CE1 3.76Å; C101-F109 HydrophobicContact CB-CE2 4.14Å; C101-F109 HydrophobicContact CB-CG 4.11Å; C101-F109 HydrophobicContact CB-CZ 3.9Å |
| 102 | I | 93.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 61.5 Ų | 61.5 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 176.9 | -66.9 | 167.7 | 0 | 0 | 0 | 111.2 | V98 R99 K100 S104 G106 L107 F109 L110 | V98-I102 HydrophobicContact CG1-CD1 3.71Å; V98-I102 HydrophobicContact CG1-CG1 4.3Å; V98-I102 WeakPolarHBondContact O-CB 3.31Å; V98-I102 VanDerWaalsContact O-CG1 3.27Å; V98-I102 WeakPolarHBondContact O-CG1 3.36Å; V98-I102 PolarHBondContact O-N 3.29Å; R99-I102 PolarHBondContact O-N 3.02Å; K100-I102 VanDerWaalsContact C-N 3.34Å; K100-I102 PolarHBondContact O-N 3.17Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.32Å; I102-G106 CarbonylContact O-C 3.56Å; I102-G106 WeakPolarHBondContact O-CA 3.38Å; I102-G106 PolarHBondContact O-N 2.99Å; I102-L107 HydrophobicContact CD1-CD2 4.46Å; I102-L107 HydrophobicContact CG2-CD2 3.91Å; I102-L107 HydrophobicContact CG2-CG 4.4Å; I102-F109 HydrophobicContact CG1-CD1 4.29Å; I102-L110 HydrophobicContact CD1-CD1 4.03Å; I102-L110 HydrophobicContact CD1-CG 4.48Å |
| 103 | Q | 92 | Very high | 91.6 | Very high | 133 Ų | 133 | 54.5 Ų | 54.5 | 62% | 0.621 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.7 | -33 | 175.4 | -76.4 | 172.8 | -13.6 | 0 | 0 | 112.6 | R99 K100 C101 | R99-Q103 WeakPolarHBondContact O-CB 3.3Å; R99-Q103 VanDerWaalsContact O-CG 3.22Å; R99-Q103 WeakPolarHBondContact O-CG 3.46Å; R99-Q103 PolarHBondContact O-N 2.9Å; K100-Q103 PolarHBondContact O-N 2.84Å; K100-Q103 VanDerWaalsContact O-N 3.15Å; C101-Q103 VanDerWaalsContact C-N 3.32Å; C101-Q103 PolarHBondContact O-N 3.2Å |
| 104 | S | 88.3 | Confident | 91.5 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 34% | 0.336 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -90.9 | -22.9 | -176.6 | 77.2 | 0 | 0 | 0 | 0 | 114.9 | K100 C101 I102 K180 | K100-S104 PolarHBondContact O-N 2.99Å; K100-S104 PolarHBondContact O-OG 3.47Å; C101-S104 PolarHBondContact O-N 3.32Å; C101-S104 VanDerWaalsContact O-N 3.15Å; C101-S104 PolarHBondContact O-OG 3.16Å; I102-S104 VanDerWaalsContact C-N 3.32Å; I102-S104 PolarHBondContact O-N 3.32Å; S104-K180 PolarHBondContact OG-NZ 2.96Å; S104-K180 VanDerWaalsContact OG-NZ 3.07Å |
| 105 | Q | 88.2 | Confident | 91.3 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -123.1 | -10.5 | -178.2 | -66.8 | 176.8 | -16 | 0 | 0 | 114.2 | C101 F109 K112 S178 K180 D370 | C101-Q105 PolarHBondContact O-N 3.44Å; Q105-F109 HydrophobicContact CB-CB 4.27Å; Q105-K112 VanDerWaalsContact CD-NZ 3.32Å; Q105-S178 PolarHBondContact NE2-OG 2.96Å; Q105-K180 HydrophobicContact CG-CD 4.45Å; Q105-K180 HydrophobicContact CG-CG 4.22Å; Q105-D370 VanDerWaalsContact NE2-CG 3.34Å; Q105-D370 PolarHBondContact NE2-OD1 2.88Å; Q105-D370 PolarHBondContact NE2-OD2 2.72Å; Q105-D370 PolarHBondContact OE1-OD2 3.07Å |
| 106 | G | 90.1 | Very high | 91.1 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 34% | 0.34 | 26% | 0.263 | S | S | . | . | trans | 79.2 | -174.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113 | I102 S108 F109 | I102-G106 CarbonylContact O-C 3.56Å; I102-G106 WeakPolarHBondContact O-CA 3.38Å; I102-G106 PolarHBondContact O-N 2.99Å; G106-S108 PolarHBondContact O-N 3.37Å; G106-F109 PolarHBondContact O-N 2.81Å | ||
| 107 | L | 90.9 | Very high | 91 | Very high | 114 Ų | 114 | 46.7 Ų | 46.7 | 60% | 0.597 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -68.9 | -15.2 | 179 | -70.4 | 170.5 | 0 | 0 | 0 | 113.5 | I102 F109 L110 | I102-L107 HydrophobicContact CD1-CD2 4.46Å; I102-L107 HydrophobicContact CG2-CD2 3.91Å; I102-L107 HydrophobicContact CG2-CG 4.4Å; L107-F109 PolarHBondContact O-N 2.89Å; L107-F109 VanDerWaalsContact O-N 3.17Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-L110 VanDerWaalsContact O-N 3.12Å |
| 108 | S | 88 | Confident | 90.9 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 48% | 0.483 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -52.9 | -34.6 | 173.7 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | G106 L110 W111 K112 D179 | G106-S108 PolarHBondContact O-N 3.37Å; S108-L110 PolarHBondContact O-N 2.94Å; S108-W111 PolarHBondContact O-N 2.83Å; S108-K112 PolarHBondContact O-N 3.48Å; S108-D179 WeakPolarHBondContact CB-OD2 3.48Å; S108-D179 PolarHBondContact OG-OD2 3.29Å |
| 109 | F | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -45.8 | -38.7 | 175.9 | 170.1 | -111 | 0 | 0 | 0 | 113.8 | V73 I74 V98 C101 I102 Q105 G106 L107 K112 D370 M372 | V73-F109 WeakPolarHBondContact CG1-O 3.2Å; I74-F109 HydrophobicContact CG1-CE1 4.03Å; I74-F109 HydrophobicContact CG1-CZ 4.35Å; V98-F109 HydrophobicContact CG1-CE1 4.45Å; C101-F109 HydrophobicContact CB-CD1 3.86Å; C101-F109 HydrophobicContact CB-CD2 4.23Å; C101-F109 HydrophobicContact CB-CE1 3.76Å; C101-F109 HydrophobicContact CB-CE2 4.14Å; C101-F109 HydrophobicContact CB-CG 4.11Å; C101-F109 HydrophobicContact CB-CZ 3.9Å; I102-F109 HydrophobicContact CG1-CD1 4.29Å; Q105-F109 HydrophobicContact CB-CB 4.27Å; G106-F109 PolarHBondContact O-N 2.81Å; L107-F109 PolarHBondContact O-N 2.89Å; L107-F109 VanDerWaalsContact O-N 3.17Å; F109-K112 HydrophobicContact CD2-CD 4.22Å; F109-K112 WeakPolarHBondContact O-CD 3.36Å; F109-K112 WeakPolarHBondContact O-CG 3.45Å; F109-D370 HydrophobicContact CE2-CB 4.27Å; F109-M372 HydrophobicContact CZ-SD 4.17Å |
| 110 | L | 92.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -83.3 | -16.7 | -174.9 | -63.2 | 178.1 | 0 | 0 | 0 | 113.8 | H69 P70 I74 V98 I102 L107 S108 | H69-L110 PolarHBondContact ND1-O 2.94Å; P70-L110 WeakPolarHBondContact CA-O 3.49Å; P70-L110 HydrophobicContact CB-CB 3.97Å; P70-L110 HydrophobicContact CB-CD1 4.38Å; P70-L110 HydrophobicContact CB-CD2 4.2Å; P70-L110 HydrophobicContact CB-CG 4.41Å; P70-L110 HydrophobicContact CG-CB 4.27Å; I74-L110 HydrophobicContact CD1-CD2 3.69Å; I74-L110 HydrophobicContact CG1-CD2 3.99Å; V98-L110 HydrophobicContact CG1-CD2 4.41Å; I102-L110 HydrophobicContact CD1-CD1 4.03Å; I102-L110 HydrophobicContact CD1-CG 4.48Å; L107-L110 PolarHBondContact O-N 3.37Å; L107-L110 VanDerWaalsContact O-N 3.12Å; S108-L110 PolarHBondContact O-N 2.94Å |
| 111 | W | 91.6 | Very high | 90.5 | Very high | 109 Ų | 109 | 43.5 Ų | 43.5 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -117.1 | 20.8 | -178.1 | -75.7 | -81.9 | 0 | 0 | 0 | 113.8 | H69 P70 S108 G113 L114 | H69-W111 VanDerWaalsContact CE1-C 3.49Å; H69-W111 AromaticContact ND1-CD1 3.84Å; P70-W111 HydrophobicContact CG-CD2 4.4Å; P70-W111 HydrophobicContact CG-CH2 3.86Å; P70-W111 HydrophobicContact CG-CZ2 3.47Å; P70-W111 VanDerWaalsContact CG-CZ2 3.47Å; P70-W111 HydrophobicContact CG-CZ3 4.46Å; S108-W111 PolarHBondContact O-N 2.83Å; W111-G113 PolarHBondContact O-N 3.49Å; W111-L114 HydrophobicContact CB-CB 4.49Å; W111-L114 WeakPolarHBondContact O-CB 3.2Å; W111-L114 PolarHBondContact O-N 2.65Å |
| 112 | K | 89.5 | Confident | 90.5 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 122.6 | 172.8 | -71.1 | 175.6 | 159.9 | 170.5 | 0 | 112.6 | H69 V73 Q105 S108 F109 L114 D179 D370 | H69-K112 PolarHBondContact CE1-O 3.03Å; H69-K112 PolarHBondContact NE2-O 3.42Å; V73-K112 HydrophobicContact CG1-CB 4.43Å; Q105-K112 VanDerWaalsContact CD-NZ 3.32Å; S108-K112 PolarHBondContact O-N 3.48Å; F109-K112 HydrophobicContact CD2-CD 4.22Å; F109-K112 WeakPolarHBondContact O-CD 3.36Å; F109-K112 WeakPolarHBondContact O-CG 3.45Å; K112-L114 VanDerWaalsContact C-N 3.26Å; K112-L114 PolarHBondContact O-N 2.76Å; K112-D179 WeakPolarHBondContact CE-OD1 3.31Å; K112-D179 WeakPolarHBondContact CE-OD2 3.19Å; K112-D370 IonicContact NZ-OD2 3.81Å; K112-D370 PolarHBondContact NZ-OD2 3.33Å |
| 113 | G | 87.7 | Confident | 90.4 | Very high | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 12.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | W111 G115 S116 V117 | W111-G113 PolarHBondContact O-N 3.49Å; G113-G115 PolarHBondContact O-N 3.49Å; G113-G115 VanDerWaalsContact O-N 3.16Å; G113-S116 PolarHBondContact O-N 3.08Å; G113-S116 VanDerWaalsContact O-N 3.1Å; G113-S116 PolarHBondContact O-OG 3.37Å; G113-V117 PolarHBondContact O-N 3.02Å; G113-V117 VanDerWaalsContact O-N 3.16Å |
| 114 | L | 91.1 | Very high | 90.4 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 17% | 0.168 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54 | -39.1 | 177.4 | 179.2 | 71.5 | 0 | 0 | 0 | 112.1 | V65 L66 H69 W111 K112 S116 V117 F118 | V65-L114 HydrophobicContact CG1-CD1 3.85Å; L66-L114 HydrophobicContact CD2-CD1 4.22Å; L66-L114 HydrophobicContact CD2-CD2 3.73Å; H69-L114 HydrophobicContact CB-CD1 3.99Å; H69-L114 VanDerWaalsContact CD2-CD1 3.43Å; H69-L114 WeakPolarHBondContact CD2-CD1 3.25Å; H69-L114 VanDerWaalsContact NE2-CA 3.34Å; H69-L114 WeakPolarHBondContact NE2-CA 3.33Å; H69-L114 PolarHBondContact NE2-N 2.87Å; W111-L114 HydrophobicContact CB-CB 4.49Å; W111-L114 WeakPolarHBondContact O-CB 3.2Å; W111-L114 PolarHBondContact O-N 2.65Å; K112-L114 VanDerWaalsContact C-N 3.26Å; K112-L114 PolarHBondContact O-N 2.76Å; L114-S116 PolarHBondContact O-N 2.88Å; L114-V117 WeakPolarHBondContact O-CB 3.19Å; L114-V117 PolarHBondContact O-N 3.44Å; L114-F118 HydrophobicContact CD1-CE2 3.77Å; L114-F118 HydrophobicContact CD1-CZ 3.9Å; L114-F118 HydrophobicContact CD2-CE2 3.85Å; L114-F118 HydrophobicContact CD2-CZ 4.5Å; L114-F118 HydrophobicContact CG-CD2 4.12Å; L114-F118 HydrophobicContact CG-CE2 3.53Å; L114-F118 HydrophobicContact CG-CZ 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.41Å; L114-F118 PolarHBondContact O-N 3.33Å |
| 115 | G | 89.8 | Confident | 90.5 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 24% | 0.237 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G113 V117 F118 I119 | G113-G115 PolarHBondContact O-N 3.49Å; G113-G115 VanDerWaalsContact O-N 3.16Å; G115-V117 VanDerWaalsContact C-N 3.34Å; G115-V117 PolarHBondContact O-N 3.28Å; G115-F118 PolarHBondContact O-N 3Å; G115-I119 WeakPolarHBondContact O-CG1 3.17Å; G115-I119 PolarHBondContact O-N 3.12Å; G115-I119 VanDerWaalsContact O-N 3.15Å |
| 116 | S | 89.5 | Confident | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.3 | -32.4 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | G113 L114 F118 I119 I120 E174 C190 | G113-S116 PolarHBondContact O-N 3.08Å; G113-S116 VanDerWaalsContact O-N 3.1Å; G113-S116 PolarHBondContact O-OG 3.37Å; L114-S116 PolarHBondContact O-N 2.88Å; S116-F118 VanDerWaalsContact C-N 3.29Å; S116-F118 PolarHBondContact O-N 3.39Å; S116-I119 PolarHBondContact O-N 3.02Å; S116-I119 VanDerWaalsContact O-N 3.17Å; S116-I120 WeakPolarHBondContact O-CG1 3.25Å; S116-I120 PolarHBondContact O-N 3.25Å; S116-E174 WeakPolarHBondContact CB-OE2 3.36Å; S116-E174 PolarHBondContact OG-OE2 2.87Å; S116-C190 WeakPolarHBondContact CB-SG 3.34Å |
| 117 | V | 91.2 | Very high | 90.8 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 111 | V65 G113 L114 G115 I120 R121 I175 | V65-V117 HydrophobicContact CG1-CB 4.47Å; V65-V117 HydrophobicContact CG1-CG1 3.7Å; V65-V117 HydrophobicContact CG2-CG1 4.49Å; G113-V117 PolarHBondContact O-N 3.02Å; G113-V117 VanDerWaalsContact O-N 3.16Å; L114-V117 WeakPolarHBondContact O-CB 3.19Å; L114-V117 PolarHBondContact O-N 3.44Å; G115-V117 VanDerWaalsContact C-N 3.34Å; G115-V117 PolarHBondContact O-N 3.28Å; V117-I120 PolarHBondContact O-N 3.44Å; V117-R121 VanDerWaalsContact O-CG 3.27Å; V117-R121 WeakPolarHBondContact O-CG 3.48Å; V117-R121 PolarHBondContact O-N 3.45Å; V117-I175 HydrophobicContact CG2-CD1 3.72Å; V117-I175 HydrophobicContact CG2-CG1 4.07Å |
| 118 | F | 91.8 | Very high | 90.7 | Very high | 45 Ų | 45 | 38.5 Ų | 38.5 | 20% | 0.197 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.3 | -69.7 | -49.7 | 0 | 0 | 0 | 113.1 | F62 V65 L66 L114 G115 S116 R121 G122 | F62-F118 AromaticContact CD1-CD1 3.52Å; F62-F118 HydrophobicContact CD1-CD1 3.52Å; F62-F118 AromaticContact CD1-CE1 3.21Å; F62-F118 HydrophobicContact CD1-CE1 3.21Å; F62-F118 HydrophobicContact CD1-CE2 4.35Å; F62-F118 HydrophobicContact CD1-CG 4.27Å; F62-F118 AromaticContact CD1-CZ 3.67Å; F62-F118 HydrophobicContact CD1-CZ 3.67Å; F62-F118 AromaticContact CE1-CD1 3.49Å; F62-F118 HydrophobicContact CE1-CD1 3.49Å; F62-F118 VanDerWaalsContact CE1-CD1 3.49Å; F62-F118 HydrophobicContact CE1-CD2 4.46Å; F62-F118 AromaticContact CE1-CE1 3.72Å; F62-F118 HydrophobicContact CE1-CE1 3.72Å; F62-F118 AromaticContact CE1-CG 3.93Å; F62-F118 HydrophobicContact CE1-CG 3.93Å; F62-F118 HydrophobicContact CE1-CZ 4.26Å; F62-F118 HydrophobicContact CG-CE1 4.28Å; V65-F118 HydrophobicContact CB-CD1 4.46Å; V65-F118 HydrophobicContact CB-CE1 3.61Å; V65-F118 HydrophobicContact CB-CZ 4.2Å; V65-F118 HydrophobicContact CG1-CD1 4.12Å; V65-F118 HydrophobicContact CG1-CE1 3.44Å; V65-F118 VanDerWaalsContact CG1-CE1 3.44Å; V65-F118 HydrophobicContact CG1-CZ 3.79Å; V65-F118 HydrophobicContact CG2-CE1 4.11Å; L66-F118 HydrophobicContact CD2-CZ 4.11Å; L66-F118 HydrophobicContact CG-CZ 4.16Å; L114-F118 HydrophobicContact CD1-CE2 3.77Å; L114-F118 HydrophobicContact CD1-CZ 3.9Å; L114-F118 HydrophobicContact CD2-CE2 3.85Å; L114-F118 HydrophobicContact CD2-CZ 4.5Å; L114-F118 HydrophobicContact CG-CD2 4.12Å; L114-F118 HydrophobicContact CG-CE2 3.53Å; L114-F118 HydrophobicContact CG-CZ 4.18Å; L114-F118 WeakPolarHBondContact O-CD2 3.41Å; L114-F118 PolarHBondContact O-N 3.33Å; G115-F118 PolarHBondContact O-N 3Å; S116-F118 VanDerWaalsContact C-N 3.29Å; S116-F118 PolarHBondContact O-N 3.39Å; F118-R121 PolarHBondContact O-N 3.44Å; F118-G122 PolarHBondContact O-N 3.38Å |
| 119 | I | 90.6 | Very high | 90.9 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -47 | 175.9 | -64 | 168.4 | 0 | 0 | 0 | 110.4 | G115 S116 R121 G122 L123 L187 V191 | G115-I119 WeakPolarHBondContact O-CG1 3.17Å; G115-I119 PolarHBondContact O-N 3.12Å; G115-I119 VanDerWaalsContact O-N 3.15Å; S116-I119 PolarHBondContact O-N 3.02Å; S116-I119 VanDerWaalsContact O-N 3.17Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.28Å; I119-G122 PolarHBondContact O-N 2.92Å; I119-L123 HydrophobicContact CG2-CD1 3.81Å; I119-L123 HydrophobicContact CG2-CG 4.08Å; I119-L123 WeakPolarHBondContact O-CB 3.47Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.14Å; I119-L123 PolarHBondContact O-N 2.93Å; I119-L187 HydrophobicContact CD1-CB 3.74Å; I119-L187 HydrophobicContact CD1-CD2 4.18Å; I119-L187 HydrophobicContact CD1-CG 4.49Å; I119-L187 WeakPolarHBondContact CD1-O 3.48Å; I119-V191 HydrophobicContact CG2-CG2 3.67Å |
| 120 | I | 91.9 | Very high | 91 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 7% | 0.072 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 178.5 | -64.8 | -49.5 | 0 | 0 | 0 | 111.3 | S116 V117 L123 N124 L164 F167 F168 S171 | S116-I120 WeakPolarHBondContact O-CG1 3.25Å; S116-I120 PolarHBondContact O-N 3.25Å; V117-I120 PolarHBondContact O-N 3.44Å; I120-L123 HydrophobicContact CD1-CD1 4.32Å; I120-L123 PolarHBondContact O-N 2.84Å; I120-N124 WeakPolarHBondContact O-CB 3.43Å; I120-N124 PolarHBondContact O-N 3.49Å; I120-L164 HydrophobicContact CD1-CD1 4.37Å; I120-L164 HydrophobicContact CG2-CD1 4.38Å; I120-L164 HydrophobicContact CG2-CD2 4.02Å; I120-L164 HydrophobicContact CG2-CG 4.34Å; I120-F167 VanDerWaalsContact CD1-C 3.47Å; I120-F167 HydrophobicContact CD1-CB 3.44Å; I120-F167 VanDerWaalsContact CD1-CB 3.44Å; I120-F168 HydrophobicContact CG2-CD2 4.38Å; I120-S171 WeakPolarHBondContact CG1-OG 3.31Å |
| 121 | R | 90.4 | Very high | 90.9 | Very high | 117 Ų | 117 | 42.5 Ų | 42.5 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.8 | -68.4 | -72.4 | -171.8 | 179.2 | 3.3 | 111.8 | M61 V65 V117 F118 I119 N124 L125 | M61-R121 HydrophobicContact CE-CB 3.36Å; M61-R121 HydrophobicContact CE-CG 4.06Å; M61-R121 HydrophobicContact SD-CB 4.24Å; V65-R121 HydrophobicContact CG2-CG 4.45Å; V117-R121 VanDerWaalsContact O-CG 3.27Å; V117-R121 WeakPolarHBondContact O-CG 3.48Å; V117-R121 PolarHBondContact O-N 3.45Å; F118-R121 PolarHBondContact O-N 3.44Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.28Å; R121-N124 PolarHBondContact O-N 3.18Å; R121-L125 WeakPolarHBondContact O-CG 3.32Å; R121-L125 PolarHBondContact O-N 3.42Å; R121-L125 VanDerWaalsContact O-N 3.15Å |
| 122 | G | 90.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 37% | 0.371 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F118 I119 N124 L125 M126 | F118-G122 PolarHBondContact O-N 3.38Å; I119-G122 PolarHBondContact O-N 2.92Å; G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.36Å; G122-L125 PolarHBondContact O-N 2.9Å; G122-M126 PolarHBondContact O-N 3.05Å |
| 123 | L | 92 | Very high | 90.8 | Very high | 33 Ų | 33 | 45.3 Ų | 45.3 | 17% | 0.173 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 175 | -74 | 178.1 | 0 | 0 | 0 | 111.2 | I119 I120 L125 M126 T127 L164 F167 | I119-L123 HydrophobicContact CG2-CD1 3.81Å; I119-L123 HydrophobicContact CG2-CG 4.08Å; I119-L123 WeakPolarHBondContact O-CB 3.47Å; I119-L123 VanDerWaalsContact O-CG 3.32Å; I119-L123 WeakPolarHBondContact O-CG 3.14Å; I119-L123 PolarHBondContact O-N 2.93Å; I120-L123 HydrophobicContact CD1-CD1 4.32Å; I120-L123 PolarHBondContact O-N 2.84Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 PolarHBondContact O-N 3.44Å; L123-M126 HydrophobicContact CD2-CE 3.68Å; L123-M126 PolarHBondContact O-N 2.89Å; L123-T127 VanDerWaalsContact O-CB 3.29Å; L123-T127 WeakPolarHBondContact O-CB 3.41Å; L123-T127 PolarHBondContact O-N 3.28Å; L123-T127 PolarHBondContact O-OG1 2.98Å; L123-L164 HydrophobicContact CB-CD1 3.6Å; L123-L164 HydrophobicContact CD1-CD1 4.31Å; L123-F167 HydrophobicContact CD1-CB 4.21Å; L123-F167 HydrophobicContact CD1-CD1 4.27Å; L123-F167 HydrophobicContact CD1-CD2 4.43Å; L123-F167 HydrophobicContact CD1-CG 4.05Å |
| 124 | N | 92.4 | Very high | 91 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176.1 | -171.3 | 62.9 | 0 | 0 | 0 | 111.7 | I120 R121 G122 T127 E128 L164 | I120-N124 WeakPolarHBondContact O-CB 3.43Å; I120-N124 PolarHBondContact O-N 3.49Å; R121-N124 PolarHBondContact O-N 3.18Å; G122-N124 VanDerWaalsContact C-N 3.33Å; G122-N124 PolarHBondContact O-N 3.36Å; N124-T127 PolarHBondContact O-N 2.86Å; N124-E128 PolarHBondContact ND2-OE1 2.99Å; N124-E128 WeakPolarHBondContact O-CB 3.45Å; N124-E128 VanDerWaalsContact O-CG 3.29Å; N124-E128 WeakPolarHBondContact O-CG 3.41Å; N124-E128 PolarHBondContact O-N 3.47Å; N124-L164 HydrophobicContact CB-CD2 3.67Å |
| 125 | L | 89.8 | Confident | 90.7 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 48% | 0.482 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 176 | -67.8 | 172.2 | 0 | 0 | 0 | 111.8 | M61 R121 G122 L123 N129 | M61-L125 HydrophobicContact SD-CD1 4.1Å; R121-L125 WeakPolarHBondContact O-CG 3.32Å; R121-L125 PolarHBondContact O-N 3.42Å; R121-L125 VanDerWaalsContact O-N 3.15Å; G122-L125 PolarHBondContact O-N 2.9Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 PolarHBondContact O-N 3.44Å; L125-N129 VanDerWaalsContact O-CG 3.26Å; L125-N129 PolarHBondContact O-N 3.14Å; L125-N129 PolarHBondContact O-ND2 3.25Å |
| 126 | M | 91.3 | Very high | 90.5 | Very high | 95 Ų | 95 | 57.2 Ų | 57.2 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -47.8 | 177.9 | -174.6 | -172.5 | 76.7 | 0 | 0 | 111.7 | G122 L123 N129 L130 | G122-M126 PolarHBondContact O-N 3.05Å; L123-M126 HydrophobicContact CD2-CE 3.68Å; L123-M126 PolarHBondContact O-N 2.89Å; M126-N129 WeakPolarHBondContact O-CB 3.44Å; M126-N129 PolarHBondContact O-N 3.44Å; M126-L130 HydrophobicContact CE-CD1 4.23Å; M126-L130 HydrophobicContact CG-CD1 3.97Å; M126-L130 HydrophobicContact CG-CG 4.44Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 2.92Å |
| 127 | T | 92.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 59.2 Ų | 59.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 111 | L123 N124 N129 L130 V131 V163 | L123-T127 VanDerWaalsContact O-CB 3.29Å; L123-T127 WeakPolarHBondContact O-CB 3.41Å; L123-T127 PolarHBondContact O-N 3.28Å; L123-T127 PolarHBondContact O-OG1 2.98Å; N124-T127 PolarHBondContact O-N 2.86Å; T127-N129 VanDerWaalsContact C-N 3.28Å; T127-N129 PolarHBondContact O-N 3.25Å; T127-L130 PolarHBondContact O-N 3.28Å; T127-V131 HydrophobicContact CG2-CG2 3.99Å; T127-V131 WeakPolarHBondContact O-CB 3.25Å; T127-V131 VanDerWaalsContact O-CG2 3.22Å; T127-V131 WeakPolarHBondContact O-CG2 3.46Å; T127-V131 PolarHBondContact O-N 3.01Å; T127-V163 HydrophobicContact CG2-CB 3.87Å; T127-V163 HydrophobicContact CG2-CG1 3.95Å; T127-V163 HydrophobicContact CG2-CG2 4.49Å |
| 128 | E | 90.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 175.5 | -75.8 | -177.2 | -164.9 | 0 | 0 | 111.6 | N124 C132 K157 | N124-E128 PolarHBondContact ND2-OE1 2.99Å; N124-E128 WeakPolarHBondContact O-CB 3.45Å; N124-E128 VanDerWaalsContact O-CG 3.29Å; N124-E128 WeakPolarHBondContact O-CG 3.41Å; N124-E128 PolarHBondContact O-N 3.47Å; E128-C132 VanDerWaalsContact O-CB 3.31Å; E128-C132 WeakPolarHBondContact O-CB 3.2Å; E128-C132 PolarHBondContact O-N 2.76Å; E128-C132 PolarHBondContact O-SG 3.1Å; E128-C132 VanDerWaalsContact O-SG 3.39Å; E128-K157 IonicContact OE1-NZ 3.17Å; E128-K157 PolarHBondContact OE1-NZ 3.44Å; E128-K157 IonicContact OE2-NZ 3.08Å; E128-K157 PolarHBondContact OE2-NZ 3.06Å |
| 129 | N | 90.7 | Very high | 88.8 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.5 | -48.8 | 174.8 | -70 | -22.2 | 0 | 0 | 0 | 112.4 | L125 M126 T127 V131 C132 E133 K139 | L125-N129 VanDerWaalsContact O-CG 3.26Å; L125-N129 PolarHBondContact O-N 3.14Å; L125-N129 PolarHBondContact O-ND2 3.25Å; M126-N129 WeakPolarHBondContact O-CB 3.44Å; M126-N129 PolarHBondContact O-N 3.44Å; T127-N129 VanDerWaalsContact C-N 3.28Å; T127-N129 PolarHBondContact O-N 3.25Å; N129-V131 PolarHBondContact O-N 2.88Å; N129-C132 VanDerWaalsContact O-CB 3.31Å; N129-C132 WeakPolarHBondContact O-CB 3.45Å; N129-C132 PolarHBondContact O-N 3.41Å; N129-E133 WeakPolarHBondContact O-CG 3.13Å; N129-E133 PolarHBondContact O-N 2.99Å; N129-K139 VanDerWaalsContact OD1-CE 3.24Å; N129-K139 WeakPolarHBondContact OD1-CE 3.34Å; N129-K139 PolarHBondContact OD1-NZ 2.97Å |
| 130 | L | 92.4 | Very high | 88 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | -179.3 | -71.5 | 172.5 | 0 | 0 | 0 | 112.1 | M126 T127 C132 E133 L134 | M126-L130 HydrophobicContact CE-CD1 4.23Å; M126-L130 HydrophobicContact CG-CD1 3.97Å; M126-L130 HydrophobicContact CG-CG 4.44Å; M126-L130 WeakPolarHBondContact O-CG 3.49Å; M126-L130 PolarHBondContact O-N 2.92Å; T127-L130 PolarHBondContact O-N 3.28Å; L130-C132 VanDerWaalsContact C-N 3.33Å; L130-E133 PolarHBondContact O-N 3.03Å; L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 PolarHBondContact O-N 2.97Å |
| 131 | V | 91 | Very high | 87 | Confident | 16 Ų | 16 | 66.1 Ų | 66.1 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 176.8 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | T127 N129 L134 T135 L156 C159 | T127-V131 HydrophobicContact CG2-CG2 3.99Å; T127-V131 WeakPolarHBondContact O-CB 3.25Å; T127-V131 VanDerWaalsContact O-CG2 3.22Å; T127-V131 WeakPolarHBondContact O-CG2 3.46Å; T127-V131 PolarHBondContact O-N 3.01Å; N129-V131 PolarHBondContact O-N 2.88Å; V131-L134 PolarHBondContact O-N 3.32Å; V131-T135 HydrophobicContact CG1-CG2 3.99Å; V131-T135 WeakPolarHBondContact O-CB 3.48Å; V131-T135 PolarHBondContact O-N 3.36Å; V131-T135 PolarHBondContact O-OG1 3.5Å; V131-L156 HydrophobicContact CB-CD1 3.74Å; V131-L156 HydrophobicContact CG1-CD1 3.55Å; V131-C159 HydrophobicContact CG1-CB 3.73Å |
| 132 | C | 89.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 64.2 Ų | 64.2 | 12% | 0.122 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 172.9 | -89 | 0 | 0 | 0 | 0 | 112.5 | E128 N129 L130 S136 L137 K139 L156 | E128-C132 VanDerWaalsContact O-CB 3.31Å; E128-C132 WeakPolarHBondContact O-CB 3.2Å; E128-C132 PolarHBondContact O-N 2.76Å; E128-C132 PolarHBondContact O-SG 3.1Å; E128-C132 VanDerWaalsContact O-SG 3.39Å; N129-C132 VanDerWaalsContact O-CB 3.31Å; N129-C132 WeakPolarHBondContact O-CB 3.45Å; N129-C132 PolarHBondContact O-N 3.41Å; L130-C132 VanDerWaalsContact C-N 3.33Å; C132-S136 VanDerWaalsContact O-CA 3.31Å; C132-S136 WeakPolarHBondContact O-CA 3.29Å; C132-S136 PolarHBondContact O-N 3.06Å; C132-L137 PolarHBondContact SG-O 3.11Å; C132-K139 WeakPolarHBondContact SG-CB 3.44Å; C132-L156 HydrophobicContact CB-CD1 4.21Å; C132-L156 WeakPolarHBondContact SG-CD1 3.13Å; C132-L156 WeakPolarHBondContact SG-CD2 3.19Å |
| 133 | E | 91.4 | Very high | 84.5 | Confident | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.734 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.4 | -41.5 | 178.4 | -73.4 | 176.9 | -171.7 | 0 | 0 | 111.7 | N129 L130 | N129-E133 WeakPolarHBondContact O-CG 3.13Å; N129-E133 PolarHBondContact O-N 2.99Å; L130-E133 PolarHBondContact O-N 3.03Å |
| 134 | L | 90.7 | Very high | 83.1 | Confident | 153 Ų | 153 | 75.4 Ų | 75.4 | 80% | 0.801 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.4 | -36.1 | -177.8 | -174.2 | 63.8 | 0 | 0 | 0 | 113.5 | L130 V131 | L130-L134 VanDerWaalsContact O-CB 3.3Å; L130-L134 WeakPolarHBondContact O-CB 3.43Å; L130-L134 PolarHBondContact O-N 2.97Å; V131-L134 PolarHBondContact O-N 3.32Å |
| 135 | T | 85.4 | Confident | 82.1 | Confident | 49 Ų | 49 | 75.8 Ų | 75.8 | 30% | 0.301 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -105.5 | -5.8 | -172 | 63 | 0 | 0 | 0 | 0 | 113.9 | V131 L137 | V131-T135 HydrophobicContact CG1-CG2 3.99Å; V131-T135 WeakPolarHBondContact O-CB 3.48Å; V131-T135 PolarHBondContact O-N 3.36Å; V131-T135 PolarHBondContact O-OG1 3.5Å; T135-L137 HydrophobicContact CG2-CD1 4.49Å; T135-L137 PolarHBondContact O-N 3.01Å; T135-L137 WeakPolarHBondContact OG1-CB 3.19Å; T135-L137 VanDerWaalsContact OG1-CD1 3.31Å; T135-L137 WeakPolarHBondContact OG1-CD1 3.36Å; T135-L137 VanDerWaalsContact OG1-CG 3.23Å; T135-L137 WeakPolarHBondContact OG1-CG 3.45Å |
| 136 | S | 84.6 | Confident | 81.6 | Confident | 114 Ų | 114 | 75 Ų | 75 | 80% | 0.797 | 41% | 0.407 | S | S | * | . | trans | 55 | 18 | -173 | 68.7 | 0 | 0 | 0 | 0 | 114.2 | C132 | C132-S136 VanDerWaalsContact O-CA 3.31Å; C132-S136 WeakPolarHBondContact O-CA 3.29Å; C132-S136 PolarHBondContact O-N 3.06Å | ||
| 137 | L | 82.7 | Confident | 81.2 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | trans | -74.4 | 148.2 | -178.1 | -70.6 | 175.5 | 0 | 0 | 0 | 111.8 | C132 T135 K139 L155 L156 | C132-L137 PolarHBondContact SG-O 3.11Å; T135-L137 HydrophobicContact CG2-CD1 4.49Å; T135-L137 PolarHBondContact O-N 3.01Å; T135-L137 WeakPolarHBondContact OG1-CB 3.19Å; T135-L137 VanDerWaalsContact OG1-CD1 3.31Å; T135-L137 WeakPolarHBondContact OG1-CD1 3.36Å; T135-L137 VanDerWaalsContact OG1-CG 3.23Å; T135-L137 WeakPolarHBondContact OG1-CG 3.45Å; L137-K139 PolarHBondContact O-N 2.84Å; L137-K139 VanDerWaalsContact O-N 3.11Å; L137-L155 HydrophobicContact CD1-CB 4.13Å; L137-L156 HydrophobicContact CB-CB 4.02Å; L137-L156 HydrophobicContact CB-CD1 4.32Å; L137-L156 HydrophobicContact CD1-CB 4.07Å | ||
| 138 | P | 78.5 | Confident | 80.8 | Confident | 31 Ų | 31 | 84.5 Ų | 84.5 | 20% | 0.201 | 45% | 0.451 | C | S | . | . | trans | -67.4 | 112.9 | -176.6 | 27.5 | -34.7 | 0 | 0 | 0 | 111.4 | E140 R149 H153 | P138-E140 VanDerWaalsContact C-N 3.27Å; P138-E140 PolarHBondContact O-N 3.5Å; P138-R149 HydrophobicContact CB-CG 3.72Å; P138-R149 HydrophobicContact CG-CG 3.78Å; P138-R149 VanDerWaalsContact CG-O 3.3Å; P138-R149 WeakPolarHBondContact CG-O 3.5Å; P138-H153 HydrophobicContact CG-CB 4.39Å; P138-H153 WeakPolarHBondContact O-CB 3.33Å; P138-H153 PolarHBondContact O-ND1 3Å | ||
| 139 | K | 75.3 | Confident | 80.6 | Confident | 90 Ų | 90 | 89.7 Ų | 89.7 | 39% | 0.391 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -64.4 | -33.8 | 174.4 | -165.2 | 175.3 | 167.5 | -172.4 | 0 | 112.8 | N129 C132 L137 H153 | N129-K139 VanDerWaalsContact OD1-CE 3.24Å; N129-K139 WeakPolarHBondContact OD1-CE 3.34Å; N129-K139 PolarHBondContact OD1-NZ 2.97Å; C132-K139 WeakPolarHBondContact SG-CB 3.44Å; L137-K139 PolarHBondContact O-N 2.84Å; L137-K139 VanDerWaalsContact O-N 3.11Å; K139-H153 PolarHBondContact O-CE1 3.31Å; K139-H153 PolarHBondContact O-ND1 3.44Å |
| 140 | E | 74.6 | Confident | 80.4 | Confident | 101 Ų | 101 | 90.2 Ų | 90.2 | 47% | 0.472 | 47% | 0.472 | S | S | . | . | trans | -125.3 | 137.3 | -171.8 | -68.4 | 174.3 | -165.5 | 0 | 0 | 111.6 | P138 R149 | P138-E140 VanDerWaalsContact C-N 3.27Å; P138-E140 PolarHBondContact O-N 3.5Å; E140-R149 PolarHBondContact O-NE 3.23Å; E140-R149 VanDerWaalsContact O-NE 3.07Å; E140-R149 PolarHBondContact O-NH2 2.96Å | ||
| 141 | V | 71.4 | Confident | 80.2 | Confident | 41 Ų | 41 | 90.9 Ų | 90.9 | 25% | 0.248 | 48% | 0.475 | C | S | . | . | trans | -126.4 | 117.1 | -177.1 | -177.6 | 0 | 0 | 0 | 0 | 107 | S145 L150 H153 | V141-S145 WeakPolarHBondContact CG1-OG 3.22Å; V141-L150 HydrophobicContact CG1-CD1 4.01Å; V141-H153 HydrophobicContact CG2-CB 3.17Å | ||
| 142 | S | 66.4 | Low | 80.1 | Confident | 77 Ų | 77 | 90.5 Ų | 90.5 | 54% | 0.538 | 48% | 0.475 | S | S | . | . | trans | -81.9 | 156.8 | 167.3 | 60.7 | 0 | 0 | 0 | 0 | 109.9 | L144 S145 | S142-L144 PolarHBondContact O-N 2.69Å; S142-S145 VanDerWaalsContact O-CB 3.31Å; S142-S145 WeakPolarHBondContact O-CB 3.42Å; S142-S145 PolarHBondContact O-N 3.33Å; S142-S145 PolarHBondContact O-OG 3.34Å | ||
| 143 | K | 61.6 | Low | 80.2 | Confident | 136 Ų | 136 | 89.9 Ų | 89.9 | 59% | 0.591 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.2 | 179.9 | -65 | -176.3 | 179.4 | -177.4 | 0 | 113.6 | ||
| 144 | L | 63.8 | Low | 80.3 | Confident | 168 Ų | 168 | 84.4 Ų | 84.4 | 88% | 0.88 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | 9.1 | -178.5 | -157.8 | 65.9 | 0 | 0 | 0 | 113.5 | S142 | S142-L144 PolarHBondContact O-N 2.69Š|
| 145 | S | 70.2 | Confident | 80.4 | Confident | 29 Ų | 29 | 81.2 Ų | 81.2 | 20% | 0.203 | 43% | 0.429 | C | S | . | . | trans | -67.8 | 147.4 | -177.9 | 66.7 | 0 | 0 | 0 | 0 | 112.3 | V141 S142 | V141-S145 WeakPolarHBondContact CG1-OG 3.22Å; S142-S145 VanDerWaalsContact O-CB 3.31Å; S142-S145 WeakPolarHBondContact O-CB 3.42Å; S142-S145 PolarHBondContact O-N 3.33Å; S142-S145 PolarHBondContact O-OG 3.34Å | ||
| 146 | S | 80.3 | Confident | 80.8 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 52% | 0.524 | 42% | 0.415 | S | S | . | . | trans | -56.7 | 144.5 | 173.6 | 180 | 0 | 0 | 0 | 0 | 110.8 | R148 R149 L150 | S146-R148 PolarHBondContact O-N 2.94Å; S146-R149 WeakPolarHBondContact O-CA 3.21Å; S146-R149 WeakPolarHBondContact O-CB 3.45Å; S146-R149 PolarHBondContact O-N 3.27Å; S146-L150 PolarHBondContact O-N 3.42Å; S146-L150 VanDerWaalsContact O-N 3.13Å | ||
| 147 | S | 81.5 | Confident | 81.2 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -51.7 | -31.4 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | L150 L151 | S147-L150 PolarHBondContact O-N 2.88Å; S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.24Å |
| 148 | R | 85.2 | Confident | 81.8 | Confident | 215 Ų | 215 | 74.9 Ų | 74.9 | 81% | 0.811 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 173.5 | -66.8 | -175.2 | -179.7 | 178.3 | 0.6 | 112.6 | S146 L151 G152 | S146-R148 PolarHBondContact O-N 2.94Å; R148-L151 PolarHBondContact O-N 3.47Å; R148-G152 PolarHBondContact O-N 2.81Å |
| 149 | R | 85.8 | Confident | 82.5 | Confident | 126 Ų | 126 | 76 Ų | 76 | 48% | 0.475 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 177.8 | -171.4 | 171.5 | 176.6 | 137.1 | -2.5 | 110.9 | P138 E140 S146 G152 H153 | P138-R149 HydrophobicContact CB-CG 3.72Å; P138-R149 HydrophobicContact CG-CG 3.78Å; P138-R149 VanDerWaalsContact CG-O 3.3Å; P138-R149 WeakPolarHBondContact CG-O 3.5Å; E140-R149 PolarHBondContact O-NE 3.23Å; E140-R149 VanDerWaalsContact O-NE 3.07Å; E140-R149 PolarHBondContact O-NH2 2.96Å; S146-R149 WeakPolarHBondContact O-CA 3.21Å; S146-R149 WeakPolarHBondContact O-CB 3.45Å; S146-R149 PolarHBondContact O-N 3.27Å; R149-G152 PolarHBondContact O-N 2.83Å; R149-H153 PolarHBondContact O-N 3.44Å |
| 150 | L | 86.4 | Confident | 83.4 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 172.7 | 178.5 | 64 | 0 | 0 | 0 | 111.4 | V141 S146 S147 G152 H153 L154 | V141-L150 HydrophobicContact CG1-CD1 4.01Å; S146-L150 PolarHBondContact O-N 3.42Å; S146-L150 VanDerWaalsContact O-N 3.13Å; S147-L150 PolarHBondContact O-N 2.88Å; L150-G152 PolarHBondContact O-N 3.42Å; L150-H153 PolarHBondContact O-N 3.2Å; L150-L154 HydrophobicContact CD1-CG 4.48Å; L150-L154 HydrophobicContact CG-CD1 4.35Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 3.16Å |
| 151 | L | 87.1 | Confident | 84.4 | Confident | 105 Ų | 105 | 68.4 Ų | 68.4 | 55% | 0.55 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.6 | -177.9 | 61.3 | 0 | 0 | 0 | 111.8 | S147 R148 H153 L154 L155 | S147-L151 WeakPolarHBondContact O-CB 3.43Å; S147-L151 PolarHBondContact O-N 3.24Å; R148-L151 PolarHBondContact O-N 3.47Å; L151-H153 VanDerWaalsContact C-N 3.29Å; L151-H153 PolarHBondContact O-N 3.25Å; L151-L154 PolarHBondContact O-N 2.97Å; L151-L155 HydrophobicContact CG-CD1 4.42Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 3.32Å |
| 152 | G | 90.2 | Very high | 85.5 | Confident | 9 Ų | 9 | 69 Ų | 69 | 9% | 0.093 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.7 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R148 R149 L150 L155 L156 | R148-G152 PolarHBondContact O-N 2.81Å; R149-G152 PolarHBondContact O-N 2.83Å; L150-G152 PolarHBondContact O-N 3.42Å; G152-L155 PolarHBondContact O-N 3.31Å; G152-L156 PolarHBondContact O-N 2.96Å |
| 153 | H | 91.4 | Very high | 86.8 | Confident | 5 Ų | 5 | 69 Ų | 69 | 2% | 0.023 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.9 | -38.1 | 175.8 | -177.7 | 75.4 | 0 | 0 | 0 | 113.1 | P138 K139 V141 R149 L150 L151 L155 L156 K157 Y248 | P138-H153 HydrophobicContact CG-CB 4.39Å; P138-H153 WeakPolarHBondContact O-CB 3.33Å; P138-H153 PolarHBondContact O-ND1 3Å; K139-H153 PolarHBondContact O-CE1 3.31Å; K139-H153 PolarHBondContact O-ND1 3.44Å; V141-H153 HydrophobicContact CG2-CB 3.17Å; R149-H153 PolarHBondContact O-N 3.44Å; L150-H153 PolarHBondContact O-N 3.2Å; L151-H153 VanDerWaalsContact C-N 3.29Å; L151-H153 PolarHBondContact O-N 3.25Å; H153-L155 VanDerWaalsContact C-N 3.33Å; H153-L156 WeakPolarHBondContact O-CB 3.42Å; H153-L156 PolarHBondContact O-N 3.47Å; H153-K157 WeakPolarHBondContact NE2-CE 3.49Å; H153-K157 WeakPolarHBondContact O-CG 3.3Å; H153-K157 PolarHBondContact O-N 3.32Å; H153-Y248 AromaticContact CD2-CE1 3.74Å; H153-Y248 AromaticContact CD2-CZ 3.84Å; H153-Y248 PolarHBondContact CD2-OH 3.29Å; H153-Y248 AromaticContact NE2-CE1 3.71Å; H153-Y248 AromaticContact NE2-CZ 3.39Å; H153-Y248 PolarHBondContact NE2-OH 3.4Å; H153-Y248 VanDerWaalsContact NE2-OH 3.07Å |
| 154 | L | 92.5 | Very high | 88.3 | Confident | 41 Ų | 41 | 62.6 Ų | 62.6 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.1 | -68.7 | 176.3 | 0 | 0 | 0 | 111.3 | L150 L151 K157 V158 V245 Y248 V249 | L150-L154 HydrophobicContact CD1-CG 4.48Å; L150-L154 HydrophobicContact CG-CD1 4.35Å; L150-L154 WeakPolarHBondContact O-CG 3.33Å; L150-L154 PolarHBondContact O-N 3.16Å; L151-L154 PolarHBondContact O-N 2.97Å; L154-K157 PolarHBondContact O-N 2.72Å; L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.84Å; L154-V245 HydrophobicContact CD2-CG1 4.25Å; L154-Y248 HydrophobicContact CD2-CD1 4.12Å; L154-Y248 HydrophobicContact CD2-CE1 4.26Å; L154-V249 HydrophobicContact CD2-CG2 3.65Å |
| 155 | L | 93.4 | Very high | 89.7 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 45% | 0.45 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 173.8 | -72.1 | 171.9 | 0 | 0 | 0 | 111.9 | L137 L151 G152 H153 K157 V158 C159 | L137-L155 HydrophobicContact CD1-CB 4.13Å; L151-L155 HydrophobicContact CG-CD1 4.42Å; L151-L155 WeakPolarHBondContact O-CG 3.36Å; L151-L155 PolarHBondContact O-N 3.32Å; G152-L155 PolarHBondContact O-N 3.31Å; H153-L155 VanDerWaalsContact C-N 3.33Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.85Å; L155-V158 WeakPolarHBondContact O-CB 3.27Å; L155-V158 PolarHBondContact O-N 3.16Å; L155-C159 PolarHBondContact O-N 3.46Å; L155-C159 PolarHBondContact O-SG 3.43Å; L155-C159 VanDerWaalsContact O-SG 3.41Å |
| 156 | L | 93.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 172.7 | 172.4 | 76.5 | 0 | 0 | 0 | 111.4 | V131 C132 L137 G152 H153 C159 S160 | V131-L156 HydrophobicContact CB-CD1 3.74Å; V131-L156 HydrophobicContact CG1-CD1 3.55Å; C132-L156 HydrophobicContact CB-CD1 4.21Å; C132-L156 WeakPolarHBondContact SG-CD1 3.13Å; C132-L156 WeakPolarHBondContact SG-CD2 3.19Å; L137-L156 HydrophobicContact CB-CB 4.02Å; L137-L156 HydrophobicContact CB-CD1 4.32Å; L137-L156 HydrophobicContact CD1-CB 4.07Å; G152-L156 PolarHBondContact O-N 2.96Å; H153-L156 WeakPolarHBondContact O-CB 3.42Å; H153-L156 PolarHBondContact O-N 3.47Å; L156-C159 PolarHBondContact O-N 3.49Å; L156-S160 WeakPolarHBondContact O-CB 3.48Å; L156-S160 PolarHBondContact O-N 3.41Å; L156-S160 PolarHBondContact O-OG 3.32Å |
| 157 | K | 92.6 | Very high | 91.3 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 11% | 0.113 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177 | -69.1 | -64.9 | -169 | -171.8 | 0 | 111.6 | E128 H153 L154 L155 S160 W161 V245 | E128-K157 IonicContact OE1-NZ 3.17Å; E128-K157 PolarHBondContact OE1-NZ 3.44Å; E128-K157 IonicContact OE2-NZ 3.08Å; E128-K157 PolarHBondContact OE2-NZ 3.06Å; H153-K157 WeakPolarHBondContact NE2-CE 3.49Å; H153-K157 WeakPolarHBondContact O-CG 3.3Å; H153-K157 PolarHBondContact O-N 3.32Å; L154-K157 PolarHBondContact O-N 2.72Å; L155-K157 VanDerWaalsContact C-N 3.32Å; L155-K157 PolarHBondContact O-N 2.85Å; K157-S160 PolarHBondContact O-N 3.42Å; K157-W161 VanDerWaalsContact O-CD1 3.24Å; K157-W161 PolarHBondContact O-N 3.11Å; K157-V245 HydrophobicContact CB-CG2 4.17Å |
| 158 | V | 95.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 29% | 0.291 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.3 | -52.6 | 175.9 | 166.7 | 0 | 0 | 0 | 0 | 110.9 | L154 L155 S160 W161 V162 V241 V245 | L154-V158 WeakPolarHBondContact O-CG2 3.46Å; L154-V158 PolarHBondContact O-N 2.84Å; L155-V158 WeakPolarHBondContact O-CB 3.27Å; L155-V158 PolarHBondContact O-N 3.16Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 3.24Å; V158-W161 PolarHBondContact O-N 3.23Å; V158-V162 WeakPolarHBondContact O-CG2 3.45Å; V158-V162 PolarHBondContact O-N 2.7Å; V158-V241 HydrophobicContact CB-CG1 4.24Å; V158-V241 HydrophobicContact CG1-CG1 4.02Å; V158-V241 HydrophobicContact CG2-CG1 3.9Å; V158-V245 HydrophobicContact CG2-CG1 4.3Å; V158-V245 HydrophobicContact CG2-CG2 3.95Å |
| 159 | C | 94.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 37% | 0.365 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.6 | -41.4 | 178.6 | -70.8 | 0 | 0 | 0 | 0 | 112 | V131 L155 L156 V162 V163 | V131-C159 HydrophobicContact CG1-CB 3.73Å; L155-C159 PolarHBondContact O-N 3.46Å; L155-C159 PolarHBondContact O-SG 3.43Å; L155-C159 VanDerWaalsContact O-SG 3.41Å; L156-C159 PolarHBondContact O-N 3.49Å; C159-V162 PolarHBondContact O-N 3.26Å; C159-V163 PolarHBondContact O-N 3.21Å |
| 160 | S | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | L156 K157 V158 V162 V163 L164 | L156-S160 WeakPolarHBondContact O-CB 3.48Å; L156-S160 PolarHBondContact O-N 3.41Å; L156-S160 PolarHBondContact O-OG 3.32Å; K157-S160 PolarHBondContact O-N 3.42Å; V158-S160 VanDerWaalsContact C-N 3.28Å; V158-S160 PolarHBondContact O-N 3.24Å; S160-V162 PolarHBondContact O-N 2.91Å; S160-V163 PolarHBondContact O-N 3.5Å; S160-L164 WeakPolarHBondContact O-CB 3.38Å; S160-L164 PolarHBondContact O-N 3.29Å |
| 161 | W | 95.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 28.5 Ų | 28.5 | 12% | 0.121 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -69.7 | -30 | 178.4 | -81.1 | 106.5 | 0 | 0 | 0 | 113.7 | K157 V158 L164 T165 F168 V240 V241 N244 | K157-W161 VanDerWaalsContact O-CD1 3.24Å; K157-W161 PolarHBondContact O-N 3.11Å; V158-W161 PolarHBondContact O-N 3.23Å; W161-L164 HydrophobicContact CD2-CD2 4.5Å; W161-L164 HydrophobicContact CE3-CB 4.36Å; W161-L164 HydrophobicContact CE3-CD2 3.94Å; W161-L164 HydrophobicContact CE3-CG 4.48Å; W161-L164 HydrophobicContact CH2-CD2 4.03Å; W161-L164 HydrophobicContact CZ3-CD2 3.69Å; W161-L164 HydrophobicContact CZ3-CG 4.41Å; W161-L164 PolarHBondContact O-N 3.19Å; W161-T165 WeakPolarHBondContact O-CB 3.38Å; W161-T165 PolarHBondContact O-N 3.15Å; W161-T165 PolarHBondContact O-OG1 2.54Å; W161-F168 HydrophobicContact CZ3-CD2 4.13Å; W161-F168 HydrophobicContact CZ3-CG 4.3Å; W161-V240 HydrophobicContact CE3-CG1 4.31Å; W161-V241 HydrophobicContact CB-CG2 3.95Å; W161-N244 HydrophobicContact CD2-CB 3.43Å; W161-N244 VanDerWaalsContact CD2-CB 3.43Å; W161-N244 HydrophobicContact CE3-CB 3.9Å; W161-N244 HydrophobicContact CG-CB 3.89Å; W161-N244 HydrophobicContact CH2-CB 3.96Å; W161-N244 WeakPolarHBondContact CH2-OD1 3.4Å; W161-N244 HydrophobicContact CZ2-CB 3.51Å; W161-N244 VanDerWaalsContact CZ2-CG 3.44Å; W161-N244 WeakPolarHBondContact CZ2-OD1 3.48Å; W161-N244 HydrophobicContact CZ3-CB 4.14Å; W161-N244 VanDerWaalsContact CZ3-CG 3.42Å; W161-N244 WeakPolarHBondContact CZ3-ND2 3.29Å |
| 162 | V | 94.5 | Very high | 92.7 | Very high | 52 Ų | 52 | 23.7 Ų | 23.7 | 32% | 0.315 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 172 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | V158 C159 S160 L164 T165 F237 V241 | V158-V162 WeakPolarHBondContact O-CG2 3.45Å; V158-V162 PolarHBondContact O-N 2.7Å; C159-V162 PolarHBondContact O-N 3.26Å; S160-V162 PolarHBondContact O-N 2.91Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.47Å; V162-T165 PolarHBondContact O-N 3.06Å; V162-F237 HydrophobicContact CG1-CD1 4.16Å; V162-F237 HydrophobicContact CG1-CD2 4.37Å; V162-F237 HydrophobicContact CG1-CE1 4.14Å; V162-F237 HydrophobicContact CG1-CE2 4.36Å; V162-F237 HydrophobicContact CG1-CG 4.3Å; V162-F237 HydrophobicContact CG1-CZ 4.26Å; V162-F237 VanDerWaalsContact O-CE1 3.22Å; V162-F237 WeakPolarHBondContact O-CE1 3.3Å; V162-V241 HydrophobicContact CG2-CG2 3.75Å |
| 163 | V | 93 | Very high | 92.6 | Very high | 79 Ų | 79 | 23.7 Ų | 23.7 | 48% | 0.479 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.6 | -36.9 | 177.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | T127 C159 S160 P166 | T127-V163 HydrophobicContact CG2-CB 3.87Å; T127-V163 HydrophobicContact CG2-CG1 3.95Å; T127-V163 HydrophobicContact CG2-CG2 4.49Å; C159-V163 PolarHBondContact O-N 3.21Å; S160-V163 PolarHBondContact O-N 3.5Å; V163-P166 WeakPolarHBondContact O-CD 3.38Å |
| 164 | L | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -79.8 | -22.5 | -176.9 | -166.1 | 62.7 | 0 | 0 | 0 | 114.1 | I120 L123 N124 S160 W161 V162 F167 F168 | I120-L164 HydrophobicContact CD1-CD1 4.37Å; I120-L164 HydrophobicContact CG2-CD1 4.38Å; I120-L164 HydrophobicContact CG2-CD2 4.02Å; I120-L164 HydrophobicContact CG2-CG 4.34Å; L123-L164 HydrophobicContact CB-CD1 3.6Å; L123-L164 HydrophobicContact CD1-CD1 4.31Å; N124-L164 HydrophobicContact CB-CD2 3.67Å; S160-L164 WeakPolarHBondContact O-CB 3.38Å; S160-L164 PolarHBondContact O-N 3.29Å; W161-L164 HydrophobicContact CD2-CD2 4.5Å; W161-L164 HydrophobicContact CE3-CB 4.36Å; W161-L164 HydrophobicContact CE3-CD2 3.94Å; W161-L164 HydrophobicContact CE3-CG 4.48Å; W161-L164 HydrophobicContact CH2-CD2 4.03Å; W161-L164 HydrophobicContact CZ3-CD2 3.69Å; W161-L164 HydrophobicContact CZ3-CG 4.41Å; W161-L164 PolarHBondContact O-N 3.19Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.47Å; L164-F167 HydrophobicContact CD1-CB 4.38Å; L164-F167 PolarHBondContact O-N 3.28Å; L164-F168 PolarHBondContact O-N 2.96Å |
| 165 | T | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -48.9 | -47.7 | -175.6 | -67.2 | 0 | 0 | 0 | 0 | 115.3 | W161 V162 F167 F168 S169 V233 L236 F237 V240 | W161-T165 WeakPolarHBondContact O-CB 3.38Å; W161-T165 PolarHBondContact O-N 3.15Å; W161-T165 PolarHBondContact O-OG1 2.54Å; V162-T165 PolarHBondContact O-N 3.06Å; T165-F167 VanDerWaalsContact C-N 3.3Å; T165-F167 PolarHBondContact O-N 2.9Å; T165-F168 PolarHBondContact O-N 3.23Å; T165-S169 WeakPolarHBondContact O-CB 3.3Å; T165-S169 PolarHBondContact O-N 3.22Å; T165-V233 HydrophobicContact CG2-CG1 4.32Å; T165-L236 HydrophobicContact CG2-CB 3.88Å; T165-F237 HydrophobicContact CG2-CD1 3.6Å; T165-F237 HydrophobicContact CG2-CE1 4.01Å; T165-V240 HydrophobicContact CG2-CB 4.15Å; T165-V240 HydrophobicContact CG2-CG1 4.27Å; T165-V240 HydrophobicContact CG2-CG2 4.09Å |
| 166 | P | 91 | Very high | 92.3 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.013 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.1 | -40.7 | 178.1 | 20.1 | -33 | 0 | 0 | 0 | 112.9 | V163 A170 G194 L198 V233 | V163-P166 WeakPolarHBondContact O-CD 3.38Å; P166-A170 PolarHBondContact O-N 3.49Å; P166-G194 WeakPolarHBondContact CB-O 3.4Å; P166-L198 HydrophobicContact CB-CB 4.13Å; P166-L198 HydrophobicContact CG-CB 4.39Å; P166-L198 HydrophobicContact CG-CD1 4.34Å; P166-V233 HydrophobicContact CB-CG1 4.11Å |
| 167 | F | 91.9 | Very high | 92.2 | Very high | 18 Ų | 18 | 20.1 Ų | 20.1 | 8% | 0.079 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.6 | -42.7 | 179.3 | -55.3 | -76.2 | 0 | 0 | 0 | 111.4 | I120 L123 L164 T165 S169 A170 S171 V191 F195 | I120-F167 VanDerWaalsContact CD1-C 3.47Å; I120-F167 HydrophobicContact CD1-CB 3.44Å; I120-F167 VanDerWaalsContact CD1-CB 3.44Å; L123-F167 HydrophobicContact CD1-CB 4.21Å; L123-F167 HydrophobicContact CD1-CD1 4.27Å; L123-F167 HydrophobicContact CD1-CD2 4.43Å; L123-F167 HydrophobicContact CD1-CG 4.05Å; L164-F167 HydrophobicContact CD1-CB 4.38Å; L164-F167 PolarHBondContact O-N 3.28Å; T165-F167 VanDerWaalsContact C-N 3.3Å; T165-F167 PolarHBondContact O-N 2.9Å; F167-S169 VanDerWaalsContact C-N 3.28Å; F167-S169 PolarHBondContact O-N 3.31Å; F167-A170 WeakPolarHBondContact O-CB 3.32Å; F167-A170 PolarHBondContact O-N 2.99Å; F167-A170 VanDerWaalsContact O-N 3.12Å; F167-S171 PolarHBondContact O-N 3.28Å; F167-V191 HydrophobicContact CD1-CG1 4.31Å; F167-V191 HydrophobicContact CE1-CG1 3.85Å; F167-V191 WeakPolarHBondContact CE1-O 3.36Å; F167-F195 HydrophobicContact CE1-CD1 4.43Å; F167-F195 AromaticContact CE1-CD2 3.79Å; F167-F195 HydrophobicContact CE1-CD2 3.79Å; F167-F195 HydrophobicContact CE1-CE1 4.39Å; F167-F195 AromaticContact CE1-CE2 3.73Å; F167-F195 HydrophobicContact CE1-CE2 3.73Å; F167-F195 HydrophobicContact CE1-CG 4.16Å; F167-F195 HydrophobicContact CE1-CZ 4.05Å; F167-F195 HydrophobicContact CZ-CD1 4.08Å; F167-F195 HydrophobicContact CZ-CD2 4.15Å; F167-F195 AromaticContact CZ-CE1 3.77Å; F167-F195 HydrophobicContact CZ-CE1 3.77Å; F167-F195 AromaticContact CZ-CE2 3.83Å; F167-F195 HydrophobicContact CZ-CE2 3.83Å; F167-F195 HydrophobicContact CZ-CG 4.27Å; F167-F195 AromaticContact CZ-CZ 3.64Å; F167-F195 HydrophobicContact CZ-CZ 3.64Å |
| 168 | F | 92.9 | Very high | 91.9 | Very high | 33 Ų | 33 | 18.9 Ų | 18.9 | 15% | 0.145 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.8 | -40.7 | 174.9 | 179.1 | -107.3 | 0 | 0 | 0 | 112 | I120 W161 L164 T165 A170 S171 I172 V240 V357 | I120-F168 HydrophobicContact CG2-CD2 4.38Å; W161-F168 HydrophobicContact CZ3-CD2 4.13Å; W161-F168 HydrophobicContact CZ3-CG 4.3Å; L164-F168 PolarHBondContact O-N 2.96Å; T165-F168 PolarHBondContact O-N 3.23Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.95Å; F168-S171 PolarHBondContact O-N 2.9Å; F168-S171 PolarHBondContact O-OG 3.41Å; F168-I172 HydrophobicContact CD1-CD1 3.72Å; F168-I172 HydrophobicContact CE1-CD1 3.27Å; F168-I172 HydrophobicContact CE1-CG1 4.28Å; F168-I172 HydrophobicContact CE2-CD1 4.23Å; F168-I172 HydrophobicContact CE2-CG1 4.43Å; F168-I172 HydrophobicContact CG-CD1 4.38Å; F168-I172 HydrophobicContact CZ-CD1 3.57Å; F168-I172 HydrophobicContact CZ-CG1 4.19Å; F168-I172 WeakPolarHBondContact O-CG1 3.26Å; F168-I172 PolarHBondContact O-N 3.19Å; F168-V240 HydrophobicContact CD1-CG1 3.65Å; F168-V240 HydrophobicContact CD1-CG2 4.17Å; F168-V240 HydrophobicContact CE1-CG1 4.02Å; F168-V240 HydrophobicContact CE1-CG2 4.33Å; F168-V240 HydrophobicContact CG-CG1 4.46Å; F168-V357 HydrophobicContact CE1-CG1 4.15Å |
| 169 | S | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | T165 F167 V173 R197 L236 C361 | T165-S169 WeakPolarHBondContact O-CB 3.3Å; T165-S169 PolarHBondContact O-N 3.22Å; F167-S169 VanDerWaalsContact C-N 3.28Å; F167-S169 PolarHBondContact O-N 3.31Å; S169-V173 PolarHBondContact O-N 2.78Å; S169-R197 PolarHBondContact OG-NH1 3.36Å; S169-L236 WeakPolarHBondContact OG-CD1 3.07Å; S169-C361 PolarHBondContact OG-O 3.41Å |
| 170 | A | 88.3 | Confident | 90.4 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P166 F167 F168 I172 V173 E174 C190 D193 | P166-A170 PolarHBondContact O-N 3.49Å; F167-A170 WeakPolarHBondContact O-CB 3.32Å; F167-A170 PolarHBondContact O-N 2.99Å; F167-A170 VanDerWaalsContact O-N 3.12Å; F168-A170 VanDerWaalsContact C-N 3.33Å; F168-A170 PolarHBondContact O-N 2.95Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.02Å; A170-V173 WeakPolarHBondContact O-CB 3.43Å; A170-V173 PolarHBondContact O-N 3.01Å; A170-E174 PolarHBondContact O-N 3.46Å; A170-C190 WeakPolarHBondContact CB-O 3.37Å; A170-D193 HydrophobicContact CB-CB 3.93Å |
| 171 | S | 91.1 | Very high | 89.3 | Confident | 4 Ų | 4 | 23 Ų | 23 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -37.8 | 179.5 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | I120 F167 F168 V173 E174 I175 | I120-S171 WeakPolarHBondContact CG1-OG 3.31Å; F167-S171 PolarHBondContact O-N 3.28Å; F168-S171 PolarHBondContact O-N 2.9Å; F168-S171 PolarHBondContact O-OG 3.41Å; S171-V173 VanDerWaalsContact C-N 3.27Å; S171-V173 PolarHBondContact O-N 3.46Å; S171-E174 PolarHBondContact O-N 2.94Å; S171-E174 VanDerWaalsContact O-N 3.15Å; S171-I175 WeakPolarHBondContact O-CD1 3.44Å; S171-I175 WeakPolarHBondContact O-CG1 3.27Å; S171-I175 PolarHBondContact O-N 3.39Å |
| 172 | I | 92.1 | Very high | 88.1 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.4 | -44.8 | 174.7 | -73.3 | 165.7 | 0 | 0 | 0 | 110.3 | F168 A170 E174 I175 I176 L358 C361 V362 | F168-I172 HydrophobicContact CD1-CD1 3.72Å; F168-I172 HydrophobicContact CE1-CD1 3.27Å; F168-I172 HydrophobicContact CE1-CG1 4.28Å; F168-I172 HydrophobicContact CE2-CD1 4.23Å; F168-I172 HydrophobicContact CE2-CG1 4.43Å; F168-I172 HydrophobicContact CG-CD1 4.38Å; F168-I172 HydrophobicContact CZ-CD1 3.57Å; F168-I172 HydrophobicContact CZ-CG1 4.19Å; F168-I172 WeakPolarHBondContact O-CG1 3.26Å; F168-I172 PolarHBondContact O-N 3.19Å; A170-I172 VanDerWaalsContact C-N 3.35Å; A170-I172 PolarHBondContact O-N 3.02Å; I172-E174 VanDerWaalsContact C-N 3.28Å; I172-E174 PolarHBondContact O-N 3.48Å; I172-I175 PolarHBondContact O-N 3.49Å; I172-I176 WeakPolarHBondContact O-CG1 3.1Å; I172-I176 PolarHBondContact O-N 2.8Å; I172-I176 VanDerWaalsContact O-N 3.11Å; I172-L358 HydrophobicContact CB-CD2 4.39Å; I172-L358 HydrophobicContact CD1-CD2 3.85Å; I172-L358 HydrophobicContact CG1-CD2 3.91Å; I172-L358 HydrophobicContact CG2-CD2 3.53Å; I172-C361 HydrophobicContact CB-CB 4.45Å; I172-C361 HydrophobicContact CD1-CB 3.88Å; I172-C361 HydrophobicContact CG2-CB 4.33Å; I172-V362 HydrophobicContact CG2-CG2 3.51Å |
| 173 | V | 89.4 | Confident | 86.8 | Confident | 10 Ų | 10 | 26.3 Ų | 26.3 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 177.8 | 162.5 | 0 | 0 | 0 | 0 | 111.6 | S169 A170 S171 I176 Q177 V362 T365 T367 | S169-V173 PolarHBondContact O-N 2.78Å; A170-V173 WeakPolarHBondContact O-CB 3.43Å; A170-V173 PolarHBondContact O-N 3.01Å; S171-V173 VanDerWaalsContact C-N 3.27Å; S171-V173 PolarHBondContact O-N 3.46Å; V173-I176 PolarHBondContact O-N 3.39Å; V173-Q177 VanDerWaalsContact O-CB 3.26Å; V173-Q177 WeakPolarHBondContact O-CB 3.23Å; V173-Q177 PolarHBondContact O-N 3.01Å; V173-V362 HydrophobicContact CG2-CG2 4.27Å; V173-T365 HydrophobicContact CG2-CG2 3.85Å; V173-T367 HydrophobicContact CG1-CG2 3.52Å |
| 174 | E | 88.7 | Confident | 85.3 | Confident | 19 Ų | 19 | 28.7 Ų | 28.7 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.4 | -35.7 | 177.9 | -166.5 | 176.7 | 178.2 | 0 | 0 | 112.8 | S116 A170 S171 I172 I176 T185 | S116-E174 WeakPolarHBondContact CB-OE2 3.36Å; S116-E174 PolarHBondContact OG-OE2 2.87Å; A170-E174 PolarHBondContact O-N 3.46Å; S171-E174 PolarHBondContact O-N 2.94Å; S171-E174 VanDerWaalsContact O-N 3.15Å; I172-E174 VanDerWaalsContact C-N 3.28Å; I172-E174 PolarHBondContact O-N 3.48Å; E174-I176 VanDerWaalsContact C-N 3.35Å; E174-T185 HydrophobicContact CG-CG2 4.22Å; E174-T185 VanDerWaalsContact OE1-CB 3.28Å; E174-T185 WeakPolarHBondContact OE1-CB 3.43Å; E174-T185 PolarHBondContact OE1-OG1 3.17Å |
| 175 | I | 91.7 | Very high | 83.9 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.051 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.3 | -69 | 159.1 | 0 | 0 | 0 | 111.7 | V73 N76 V117 S171 I172 | V73-I175 HydrophobicContact CG2-CG2 4.11Å; N76-I175 HydrophobicContact CB-CG2 4.42Å; V117-I175 HydrophobicContact CG2-CD1 3.72Å; V117-I175 HydrophobicContact CG2-CG1 4.07Å; S171-I175 WeakPolarHBondContact O-CD1 3.44Å; S171-I175 WeakPolarHBondContact O-CG1 3.27Å; S171-I175 PolarHBondContact O-N 3.39Å; I172-I175 PolarHBondContact O-N 3.49Å |
| 176 | I | 90.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -94.5 | -13.8 | -173 | 58.2 | 118.2 | 0 | 0 | 0 | 114.3 | N76 Q77 V80 I172 V173 E174 S178 V362 V369 I381 | N76-I176 HydrophobicContact CB-CG2 3.65Å; Q77-I176 VanDerWaalsContact NE2-C 3.28Å; Q77-I176 VanDerWaalsContact NE2-CA 3.29Å; Q77-I176 PolarHBondContact NE2-O 3.46Å; V80-I176 HydrophobicContact CG1-CD1 4.45Å; V80-I176 HydrophobicContact CG2-CG2 4.17Å; I172-I176 WeakPolarHBondContact O-CG1 3.1Å; I172-I176 PolarHBondContact O-N 2.8Å; I172-I176 VanDerWaalsContact O-N 3.11Å; V173-I176 PolarHBondContact O-N 3.39Å; E174-I176 VanDerWaalsContact C-N 3.35Å; I176-S178 PolarHBondContact O-N 2.89Å; I176-V362 HydrophobicContact CD1-CB 4.06Å; I176-V362 HydrophobicContact CD1-CG1 3.3Å; I176-V362 HydrophobicContact CD1-CG2 3.49Å; I176-V362 VanDerWaalsContact CD1-CG2 3.49Å; I176-V362 HydrophobicContact CG1-CG1 4.49Å; I176-V362 HydrophobicContact CG1-CG2 3.89Å; I176-V369 HydrophobicContact CD1-CG2 3.8Å; I176-I381 HydrophobicContact CD1-CD1 4.09Å |
| 177 | Q | 89.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 40.6 Ų | 40.6 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -67.2 | 132.5 | 178.9 | -173.6 | 169.9 | 6.3 | 0 | 0 | 111.1 | V173 A181 | V173-Q177 VanDerWaalsContact O-CB 3.26Å; V173-Q177 WeakPolarHBondContact O-CB 3.23Å; V173-Q177 PolarHBondContact O-N 3.01Å; Q177-A181 PolarHBondContact NE2-O 3.28Å |
| 178 | S | 87 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -70.5 | 132 | 176.8 | -177 | 0 | 0 | 0 | 0 | 111.4 | Q105 I176 K180 A181 S182 L368 D370 V378 | Q105-S178 PolarHBondContact NE2-OG 2.96Å; I176-S178 PolarHBondContact O-N 2.89Å; S178-K180 PolarHBondContact O-N 3.43Å; S178-K180 VanDerWaalsContact O-N 3.11Å; S178-K180 PolarHBondContact OG-N 3.15Å; S178-A181 CarbonylContact O-C 3.37Å; S178-A181 WeakPolarHBondContact O-CA 3.22Å; S178-A181 PolarHBondContact O-N 2.91Å; S178-S182 WeakPolarHBondContact O-CB 3.18Å; S178-S182 PolarHBondContact O-N 3.49Å; S178-L368 WeakPolarHBondContact CB-O 3.5Å; S178-L368 PolarHBondContact N-O 3.04Å; S178-D370 VanDerWaalsContact CB-OD1 3.23Å; S178-D370 WeakPolarHBondContact CB-OD1 3.42Å; S178-D370 PolarHBondContact OG-OD1 3.26Å; S178-V378 VanDerWaalsContact OG-CG1 3.3Å; S178-V378 WeakPolarHBondContact OG-CG1 3.43Å | ||
| 179 | D | 83.1 | Confident | 80.2 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.4 | 171.8 | -75.1 | -6.6 | 0 | 0 | 0 | 113.3 | S108 K112 A181 S182 | S108-D179 WeakPolarHBondContact CB-OD2 3.48Å; S108-D179 PolarHBondContact OG-OD2 3.29Å; K112-D179 WeakPolarHBondContact CE-OD1 3.31Å; K112-D179 WeakPolarHBondContact CE-OD2 3.19Å; D179-A181 PolarHBondContact O-N 2.99Å; D179-S182 WeakPolarHBondContact CA-OG 3.24Å; D179-S182 PolarHBondContact O-OG 2.91Å |
| 180 | K | 75.9 | Confident | 79.5 | Confident | 99 Ų | 99 | 45.9 Ų | 45.9 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -21 | 175.5 | -68.1 | 176.7 | 179.2 | 163.2 | 0 | 112.7 | S104 Q105 S178 D376 V378 | S104-K180 PolarHBondContact OG-NZ 2.96Å; S104-K180 VanDerWaalsContact OG-NZ 3.07Å; Q105-K180 HydrophobicContact CG-CD 4.45Å; Q105-K180 HydrophobicContact CG-CG 4.22Å; S178-K180 PolarHBondContact O-N 3.43Å; S178-K180 VanDerWaalsContact O-N 3.11Å; S178-K180 PolarHBondContact OG-N 3.15Å; K180-D376 PolarHBondContact NZ-O 2.88Å; K180-V378 HydrophobicContact CB-CG1 4.21Å; K180-V378 HydrophobicContact CD-CG1 4.13Å |
| 181 | A | 71.8 | Confident | 79.1 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 29% | 0.289 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -124.7 | 4.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q177 S178 D179 L368 | Q177-A181 PolarHBondContact NE2-O 3.28Å; S178-A181 CarbonylContact O-C 3.37Å; S178-A181 WeakPolarHBondContact O-CA 3.22Å; S178-A181 PolarHBondContact O-N 2.91Å; D179-A181 PolarHBondContact O-N 2.99Å; A181-L368 HydrophobicContact CB-CB 3.66Å; A181-L368 HydrophobicContact CB-CD1 3.58Å; A181-L368 HydrophobicContact CB-CG 4.09Å |
| 182 | S | 70 | Confident | 78.6 | Confident | 42 Ų | 42 | 51 Ų | 51 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | trans | -87.8 | 137.1 | -180 | 70.5 | 0 | 0 | 0 | 0 | 109.9 | S178 D179 | S178-S182 WeakPolarHBondContact O-CB 3.18Å; S178-S182 PolarHBondContact O-N 3.49Å; D179-S182 WeakPolarHBondContact CA-OG 3.24Å; D179-S182 PolarHBondContact O-OG 2.91Å | ||
| 183 | E | 66.8 | Low | 77.9 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 53% | 0.528 | 29% | 0.293 | S | S | . | . | trans | -76.4 | 153.4 | 158.6 | -67.5 | 179.7 | 175.2 | 0 | 0 | 107.5 | T185 | E183-T185 PolarHBondContact O-N 2.81Š| ||
| 184 | P | 62 | Low | 77.2 | Confident | 129 Ų | 129 | 51.8 Ų | 51.8 | 84% | 0.838 | 29% | 0.29 | S | S | * | . | trans | -56.7 | 108.2 | 175.8 | 23.5 | -33.4 | 0 | 0 | 0 | 109.6 | ||||
| 185 | T | 64 | Low | 76.9 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | trans | -78.8 | 128.1 | 179.4 | 56.7 | 0 | 0 | 0 | 0 | 108.9 | E174 E183 | E174-T185 HydrophobicContact CG-CG2 4.22Å; E174-T185 VanDerWaalsContact OE1-CB 3.28Å; E174-T185 WeakPolarHBondContact OE1-CB 3.43Å; E174-T185 PolarHBondContact OE1-OG1 3.17Å; E183-T185 PolarHBondContact O-N 2.81Å | ||
| 186 | T | 65.6 | Low | 76.2 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | trans | -88.4 | 150.6 | 165.5 | 68.7 | 0 | 0 | 0 | 0 | 108.4 | L188 S189 | T186-L188 PolarHBondContact O-N 3.45Å; T186-L188 VanDerWaalsContact O-N 3.09Å; T186-S189 PolarHBondContact N-OG 3.12Å; T186-S189 WeakPolarHBondContact O-CA 3.05Å; T186-S189 WeakPolarHBondContact O-CB 3.27Å; T186-S189 PolarHBondContact O-N 2.83Å; T186-S189 PolarHBondContact O-OG 3.38Å; T186-S189 PolarHBondContact OG1-N 3.5Å; T186-S189 PolarHBondContact OG1-OG 3.2Å | ||
| 187 | L | 71.2 | Confident | 75.4 | Confident | 101 Ų | 101 | 59.8 Ų | 59.8 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -50.6 | -37.2 | 175.1 | -67.3 | -178.7 | 0 | 0 | 0 | 112.2 | I119 S189 | I119-L187 HydrophobicContact CD1-CB 3.74Å; I119-L187 HydrophobicContact CD1-CD2 4.18Å; I119-L187 HydrophobicContact CD1-CG 4.49Å; I119-L187 WeakPolarHBondContact CD1-O 3.48Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 2.85Å |
| 188 | L | 76.3 | Confident | 74.7 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 64% | 0.639 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73.6 | -23.3 | 178.3 | -60.6 | -178.8 | 0 | 0 | 0 | 113.2 | T186 C190 V191 L192 | T186-L188 PolarHBondContact O-N 3.45Å; T186-L188 VanDerWaalsContact O-N 3.09Å; L188-C190 VanDerWaalsContact C-N 3.27Å; L188-C190 PolarHBondContact O-N 3.39Å; L188-V191 PolarHBondContact O-N 3.06Å; L188-V191 VanDerWaalsContact O-N 3.15Å; L188-L192 WeakPolarHBondContact O-CB 3.26Å; L188-L192 VanDerWaalsContact O-CG 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.44Å; L188-L192 PolarHBondContact O-N 3.48Å |
| 189 | S | 77.4 | Confident | 74 | Confident | 37 Ų | 37 | 68 Ų | 68 | 26% | 0.259 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 176.6 | -58.9 | 0 | 0 | 0 | 0 | 111.2 | T186 L187 V191 L192 D193 | T186-S189 PolarHBondContact N-OG 3.12Å; T186-S189 WeakPolarHBondContact O-CA 3.05Å; T186-S189 WeakPolarHBondContact O-CB 3.27Å; T186-S189 PolarHBondContact O-N 2.83Å; T186-S189 PolarHBondContact O-OG 3.38Å; T186-S189 PolarHBondContact OG1-N 3.5Å; T186-S189 PolarHBondContact OG1-OG 3.2Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 2.85Å; S189-V191 PolarHBondContact O-N 3.43Å; S189-L192 PolarHBondContact O-N 2.88Å; S189-D193 VanDerWaalsContact O-CB 3.26Å; S189-D193 WeakPolarHBondContact O-CB 3.11Å; S189-D193 PolarHBondContact O-N 2.9Å |
| 190 | C | 76.7 | Confident | 73.1 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.02 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.6 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | S116 A170 L188 G194 | S116-C190 WeakPolarHBondContact CB-SG 3.34Å; A170-C190 WeakPolarHBondContact CB-O 3.37Å; L188-C190 VanDerWaalsContact C-N 3.27Å; L188-C190 PolarHBondContact O-N 3.39Å; C190-G194 PolarHBondContact O-N 3.28Å |
| 191 | V | 79.9 | Confident | 72.1 | Confident | 30 Ų | 30 | 70.7 Ų | 70.7 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 179.2 | 178 | 0 | 0 | 0 | 0 | 110.2 | I119 F167 L188 S189 G194 F195 | I119-V191 HydrophobicContact CG2-CG2 3.67Å; F167-V191 HydrophobicContact CD1-CG1 4.31Å; F167-V191 HydrophobicContact CE1-CG1 3.85Å; F167-V191 WeakPolarHBondContact CE1-O 3.36Å; L188-V191 PolarHBondContact O-N 3.06Å; L188-V191 VanDerWaalsContact O-N 3.15Å; S189-V191 PolarHBondContact O-N 3.43Å; V191-G194 PolarHBondContact O-N 3.42Å; V191-F195 HydrophobicContact CG1-CD2 3.85Å; V191-F195 HydrophobicContact CG1-CE2 3.57Å; V191-F195 VanDerWaalsContact O-CD2 3.24Å; V191-F195 WeakPolarHBondContact O-CD2 3.22Å; V191-F195 PolarHBondContact O-N 2.91Å |
| 192 | L | 81.1 | Confident | 71 | Confident | 86 Ų | 86 | 72.7 Ų | 72.7 | 45% | 0.45 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 176.7 | -70.6 | 172.1 | 0 | 0 | 0 | 111.6 | L188 S189 G194 F195 Y196 | L188-L192 WeakPolarHBondContact O-CB 3.26Å; L188-L192 VanDerWaalsContact O-CG 3.32Å; L188-L192 WeakPolarHBondContact O-CG 3.44Å; L188-L192 PolarHBondContact O-N 3.48Å; S189-L192 PolarHBondContact O-N 2.88Å; L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 3.33Å; L192-F195 PolarHBondContact O-N 2.87Å; L192-F195 VanDerWaalsContact O-N 3.12Å; L192-Y196 HydrophobicContact CB-CD2 4.4Å; L192-Y196 HydrophobicContact CB-CE2 4.07Å; L192-Y196 WeakPolarHBondContact O-CD2 3.2Å; L192-Y196 PolarHBondContact O-N 3.21Å |
| 193 | D | 76.6 | Confident | 70.1 | Confident | 30 Ų | 30 | 73 Ų | 73 | 16% | 0.16 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.6 | -37.6 | 175.2 | -83.6 | -16.6 | 0 | 0 | 0 | 111.5 | A170 S189 Y196 R197 R206 | A170-D193 HydrophobicContact CB-CB 3.93Å; S189-D193 VanDerWaalsContact O-CB 3.26Å; S189-D193 WeakPolarHBondContact O-CB 3.11Å; S189-D193 PolarHBondContact O-N 2.9Å; D193-Y196 PolarHBondContact O-N 2.9Å; D193-R197 WeakPolarHBondContact O-CG 3.42Å; D193-R197 PolarHBondContact O-N 3.27Å; D193-R206 IonicContact OD1-CZ 3.65Å; D193-R206 IonicContact OD1-NH1 3.01Å; D193-R206 PolarHBondContact OD1-NH1 3.43Å; D193-R206 IonicContact OD1-NH2 2.78Å; D193-R206 IonicContact OD2-CZ 2.68Å; D193-R206 IonicContact OD2-NH1 3.35Å; D193-R206 PolarHBondContact OD2-NH1 3.05Å; D193-R206 IonicContact OD2-NH2 3.18Å; D193-R206 PolarHBondContact OD2-NH2 3.11Å |
| 194 | G | 76.2 | Confident | 69.3 | Low | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P166 C190 V191 L192 Y196 R197 L198 | P166-G194 WeakPolarHBondContact CB-O 3.4Å; C190-G194 PolarHBondContact O-N 3.28Å; V191-G194 PolarHBondContact O-N 3.42Å; L192-G194 VanDerWaalsContact C-N 3.26Å; L192-G194 PolarHBondContact O-N 3.33Å; G194-Y196 PolarHBondContact O-N 3.02Å; G194-R197 WeakPolarHBondContact O-CB 3.37Å; G194-R197 PolarHBondContact O-N 3.35Å; G194-L198 PolarHBondContact O-N 2.91Å |
| 195 | F | 81 | Confident | 68.5 | Low | 93 Ų | 93 | 68.6 Ų | 68.6 | 41% | 0.408 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.1 | -78.5 | -64.7 | 0 | 0 | 0 | 112.8 | F167 V191 L192 R197 L198 F199 | F167-F195 HydrophobicContact CE1-CD1 4.43Å; F167-F195 AromaticContact CE1-CD2 3.79Å; F167-F195 HydrophobicContact CE1-CD2 3.79Å; F167-F195 HydrophobicContact CE1-CE1 4.39Å; F167-F195 AromaticContact CE1-CE2 3.73Å; F167-F195 HydrophobicContact CE1-CE2 3.73Å; F167-F195 HydrophobicContact CE1-CG 4.16Å; F167-F195 HydrophobicContact CE1-CZ 4.05Å; F167-F195 HydrophobicContact CZ-CD1 4.08Å; F167-F195 HydrophobicContact CZ-CD2 4.15Å; F167-F195 AromaticContact CZ-CE1 3.77Å; F167-F195 HydrophobicContact CZ-CE1 3.77Å; F167-F195 AromaticContact CZ-CE2 3.83Å; F167-F195 HydrophobicContact CZ-CE2 3.83Å; F167-F195 HydrophobicContact CZ-CG 4.27Å; F167-F195 AromaticContact CZ-CZ 3.64Å; F167-F195 HydrophobicContact CZ-CZ 3.64Å; V191-F195 HydrophobicContact CG1-CD2 3.85Å; V191-F195 HydrophobicContact CG1-CE2 3.57Å; V191-F195 VanDerWaalsContact O-CD2 3.24Å; V191-F195 WeakPolarHBondContact O-CD2 3.22Å; V191-F195 PolarHBondContact O-N 2.91Å; L192-F195 PolarHBondContact O-N 2.87Å; L192-F195 VanDerWaalsContact O-N 3.12Å; F195-R197 VanDerWaalsContact C-N 3.3Å; F195-R197 PolarHBondContact O-N 3.22Å; F195-L198 PolarHBondContact O-N 2.68Å; F195-L198 VanDerWaalsContact O-N 3.14Å; F195-F199 AromaticContact CD1-CE2 3.95Å; F195-F199 HydrophobicContact CD1-CE2 3.95Å; F195-F199 WeakPolarHBondContact O-CD2 3.37Å; F195-F199 PolarHBondContact O-N 3.29Å |
| 196 | Y | 76.6 | Confident | 67.7 | Low | 77 Ų | 77 | 71.2 Ų | 71.2 | 30% | 0.302 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 176.4 | -72.9 | -54.5 | 0 | 0 | 0 | 111.9 | L192 D193 G194 H200 M201 | L192-Y196 HydrophobicContact CB-CD2 4.4Å; L192-Y196 HydrophobicContact CB-CE2 4.07Å; L192-Y196 WeakPolarHBondContact O-CD2 3.2Å; L192-Y196 PolarHBondContact O-N 3.21Å; D193-Y196 PolarHBondContact O-N 2.9Å; G194-Y196 PolarHBondContact O-N 3.02Å; Y196-H200 PolarHBondContact O-N 3.16Å; Y196-M201 HydrophobicContact CD1-CB 4.07Å; Y196-M201 PolarHBondContact O-N 3.13Å |
| 197 | R | 73.9 | Confident | 66.6 | Low | 27 Ų | 27 | 75 Ų | 75 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 173.3 | -75.1 | 176.4 | 177.1 | -105.4 | 18.4 | 111.8 | S169 D193 G194 F195 V233 C361 | S169-R197 PolarHBondContact OG-NH1 3.36Å; D193-R197 WeakPolarHBondContact O-CG 3.42Å; D193-R197 PolarHBondContact O-N 3.27Å; G194-R197 WeakPolarHBondContact O-CB 3.37Å; G194-R197 PolarHBondContact O-N 3.35Å; F195-R197 VanDerWaalsContact C-N 3.3Å; F195-R197 PolarHBondContact O-N 3.22Å; R197-V233 VanDerWaalsContact C-CG2 3.44Å; R197-V233 HydrophobicContact CB-CG2 3.63Å; R197-V233 WeakPolarHBondContact O-CG2 3.32Å; R197-C361 PolarHBondContact NH1-O 3.44Å; R197-C361 PolarHBondContact NH2-O 2.92Å; R197-C361 VanDerWaalsContact NH2-O 3.13Å |
| 198 | L | 76.2 | Confident | 65.2 | Low | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | -178.1 | -176.5 | 63 | 0 | 0 | 0 | 112.3 | P166 G194 F195 H200 | P166-L198 HydrophobicContact CB-CB 4.13Å; P166-L198 HydrophobicContact CG-CB 4.39Å; P166-L198 HydrophobicContact CG-CD1 4.34Å; G194-L198 PolarHBondContact O-N 2.91Å; F195-L198 PolarHBondContact O-N 2.68Å; F195-L198 VanDerWaalsContact O-N 3.14Å; L198-H200 VanDerWaalsContact C-N 3.28Å; L198-H200 PolarHBondContact O-N 3.44Å; L198-H200 PolarHBondContact O-ND1 3.16Å |
| 199 | F | 71.3 | Confident | 63.5 | Low | 134 Ų | 134 | 72.9 Ų | 72.9 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 5.1 | -175.5 | -68.8 | -68.9 | 0 | 0 | 0 | 114.4 | F195 M201 | F195-F199 AromaticContact CD1-CE2 3.95Å; F195-F199 HydrophobicContact CD1-CE2 3.95Å; F195-F199 WeakPolarHBondContact O-CD2 3.37Å; F195-F199 PolarHBondContact O-N 3.29Å; F199-M201 HydrophobicContact CB-CG 3.89Å; F199-M201 PolarHBondContact O-N 2.86Å |
| 200 | H | 64.5 | Low | 61.7 | Low | 96 Ų | 96 | 77.6 Ų | 77.6 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 33.3 | -172.6 | -63.7 | 74.1 | 0 | 0 | 0 | 111.9 | Y196 L198 W234 | Y196-H200 PolarHBondContact O-N 3.16Å; L198-H200 VanDerWaalsContact C-N 3.28Å; L198-H200 PolarHBondContact O-N 3.44Å; L198-H200 PolarHBondContact O-ND1 3.16Å; H200-W234 AromaticContact CE1-CE3 3.48Å; H200-W234 VanDerWaalsContact CE1-CE3 3.48Å; H200-W234 AromaticContact CE1-CH2 3.9Å; H200-W234 AromaticContact CE1-CZ3 3.03Å; H200-W234 WeakPolarHBondContact CE1-CZ3 3.39Å; H200-W234 AromaticContact ND1-CZ3 3.81Å; H200-W234 AromaticContact NE2-CE3 3.84Å; H200-W234 AromaticContact NE2-CH2 3.65Å; H200-W234 AromaticContact NE2-CZ3 3.23Å; H200-W234 WeakPolarHBondContact NE2-CZ3 3.36Å |
| 201 | M | 53.9 | Low | 60.1 | Low | 112 Ų | 112 | 80 Ų | 80 | 55% | 0.552 | 46% | 0.458 | S | S | * | . | trans | -77.8 | 135.1 | 179.4 | -80.4 | -161.4 | 170.6 | 0 | 0 | 108.2 | Y196 F199 S203 | Y196-M201 HydrophobicContact CD1-CB 4.07Å; Y196-M201 PolarHBondContact O-N 3.13Å; F199-M201 HydrophobicContact CB-CG 3.89Å; F199-M201 PolarHBondContact O-N 2.86Å; M201-S203 PolarHBondContact O-N 3.11Å | ||
| 202 | P | 50.8 | Low | 58.3 | Low | 77 Ų | 77 | 82.8 Ų | 82.8 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | trans | -61.4 | 114.3 | 178.8 | 28.2 | -34.4 | 0 | 0 | 0 | 107.5 | S204 P224 | P202-S204 PolarHBondContact O-N 3.19Å; P202-P224 HydrophobicContact CB-CB 3.96Å; P202-P224 HydrophobicContact CB-CG 3.79Å; P202-P224 HydrophobicContact CG-CG 4.25Å | ||
| 203 | S | 49.4 | Very low | 56.6 | Low | 49 Ų | 49 | 88 Ų | 88 | 34% | 0.343 | 50% | 0.503 | S | S | . | . | trans | -49.4 | 141.2 | -177.1 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | M201 P224 | M201-S203 PolarHBondContact O-N 3.11Å; S203-P224 WeakPolarHBondContact O-CB 3.12Å; S203-P224 WeakPolarHBondContact O-CG 3.06Å | ||
| 204 | S | 50 | Low | 54.9 | Low | 65 Ų | 65 | 96.3 Ų | 96.3 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | trans | -47.4 | 147.3 | 167.6 | 41.7 | 0 | 0 | 0 | 0 | 110.8 | P202 R206 | P202-S204 PolarHBondContact O-N 3.19Å; S204-R206 PolarHBondContact O-N 3.19Å | ||
| 205 | P | 46.1 | Very low | 53 | Low | 84 Ų | 84 | 106.8 Ų | 106.8 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | trans | -61.2 | 101.6 | -169.7 | 23.2 | -32 | 0 | 0 | 0 | 111.2 | L207 | P205-L207 PolarHBondContact O-N 2.97Š| ||
| 206 | R | 47.4 | Very low | 50.8 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 48% | 0.475 | 60% | 0.602 | S | S | . | * | trans | -72.7 | 80.2 | 164.3 | -87 | 176.9 | 155.2 | 103.2 | -6.5 | 108.6 | D193 S204 | D193-R206 IonicContact OD1-CZ 3.65Å; D193-R206 IonicContact OD1-NH1 3.01Å; D193-R206 PolarHBondContact OD1-NH1 3.43Å; D193-R206 IonicContact OD1-NH2 2.78Å; D193-R206 IonicContact OD2-CZ 2.68Å; D193-R206 IonicContact OD2-NH1 3.35Å; D193-R206 PolarHBondContact OD2-NH1 3.05Å; D193-R206 IonicContact OD2-NH2 3.18Å; D193-R206 PolarHBondContact OD2-NH2 3.11Å; S204-R206 PolarHBondContact O-N 3.19Å | ||
| 207 | L | 41.2 | Very low | 49.1 | Very low | 160 Ų | 160 | 107.7 Ų | 107.7 | 84% | 0.838 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -173.6 | 97.5 | 151.1 | -139.7 | 72.3 | 0 | 0 | 0 | 110.6 | P205 S209 | P205-L207 PolarHBondContact O-N 2.97Å; L207-S209 PolarHBondContact O-N 2.98Å |
| 208 | G | 43 | Very low | 47.4 | Very low | 70 Ų | 70 | 116.3 Ų | 116.3 | 72% | 0.722 | 66% | 0.657 | S | S | * | * | trans | 73.1 | 32.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121 | P210 | G208-P210 WeakPolarHBondContact O-CD 3.4Š| ||
| 209 | S | 40.1 | Very low | 46 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -112.2 | 103.1 | 172 | -166.5 | 0 | 0 | 0 | 0 | 113 | L207 G211 | L207-S209 PolarHBondContact O-N 2.98Å; S209-G211 PolarHBondContact O-N 3.46Å; S209-G211 VanDerWaalsContact O-N 3.15Å | ||
| 210 | P | 40.6 | Very low | 45 | Very low | 136 Ų | 136 | 121 Ų | 121 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -79.3 | 89.6 | 166.3 | 32 | -27.4 | 0 | 0 | 0 | 107.8 | G208 | G208-P210 WeakPolarHBondContact O-CD 3.4Š| ||
| 211 | G | 42.1 | Very low | 43.8 | Very low | 55 Ų | 55 | 127.6 Ų | 127.6 | 57% | 0.567 | 71% | 0.712 | S | S | * | * | trans | -148.3 | 76.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S209 | S209-G211 PolarHBondContact O-N 3.46Å; S209-G211 VanDerWaalsContact O-N 3.15Å | ||
| 212 | S | 42.2 | Very low | 43.3 | Very low | 88 Ų | 88 | 126.1 Ų | 126.1 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | trans | 40.6 | 91.9 | 137.1 | 161.8 | 0 | 0 | 0 | 0 | 116.7 | F214 | S212-F214 PolarHBondContact O-N 3.19Å; S212-F214 VanDerWaalsContact O-N 3.14Å | ||
| 213 | M | 46.3 | Very low | 43 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 97% | 0.966 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 8.2 | 171.2 | -147.3 | 175.5 | -169.7 | 0 | 0 | 113.8 | ||
| 214 | F | 40.6 | Very low | 42.7 | Very low | 204 Ų | 204 | 128.9 Ų | 128.9 | 90% | 0.895 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.2 | 17.8 | -171.3 | -108.9 | -83.9 | 0 | 0 | 0 | 116.6 | S212 | S212-F214 PolarHBondContact O-N 3.19Å; S212-F214 VanDerWaalsContact O-N 3.14Å |
| 215 | R | 35.5 | Very low | 42.3 | Very low | 220 Ų | 220 | 131.8 Ų | 131.8 | 83% | 0.83 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -128.7 | 101.6 | 174.3 | -149.6 | 173.2 | -172.7 | 177.5 | 1.4 | 112.1 | G217 | R215-G217 PolarHBondContact O-N 3.44Š|
| 216 | S | 35.7 | Very low | 42.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 93% | 0.93 | 74% | 0.735 | S | S | * | * | trans | -32.2 | 114.7 | 166.6 | -169.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 217 | G | 39.7 | Very low | 42.4 | Very low | 56 Ų | 56 | 127.5 Ų | 127.5 | 58% | 0.577 | 72% | 0.724 | S | S | * | * | trans | 175.1 | 124.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R215 T219 | R215-G217 PolarHBondContact O-N 3.44Å; G217-T219 PolarHBondContact O-N 3.08Å | ||
| 218 | H | 39.8 | Very low | 42.9 | Very low | 208 Ų | 208 | 125.6 Ų | 125.6 | 96% | 0.963 | 72% | 0.724 | S | S | * | * | trans | -53 | 98.1 | -178.6 | -88.8 | -67 | 0 | 0 | 0 | 113.2 | ||||
| 219 | T | 46.9 | Very low | 44.2 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | trans | -95.8 | 114.8 | 165.7 | 47.6 | 0 | 0 | 0 | 0 | 110 | G217 R221 | G217-T219 PolarHBondContact O-N 3.08Å; T219-R221 PolarHBondContact O-N 2.68Å | ||
| 220 | I | 49.4 | Very low | 46 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | trans | -46.5 | 128.1 | 172.8 | -65.4 | 165.7 | 0 | 0 | 0 | 109.6 | S222 | I220-S222 PolarHBondContact O-N 3.18Š| ||
| 221 | R | 39.4 | Very low | 47.9 | Very low | 235 Ų | 235 | 120.6 Ų | 120.6 | 89% | 0.887 | 65% | 0.654 | S | S | * | * | trans | -54.7 | 97.6 | 177.1 | -76.8 | 179.9 | 161.7 | 179.1 | -5 | 110.6 | T219 I223 | T219-R221 PolarHBondContact O-N 2.68Å; R221-I223 PolarHBondContact O-N 2.78Å; R221-I223 VanDerWaalsContact O-N 3.11Å | ||
| 222 | S | 44.1 | Very low | 49.8 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | trans | -67.9 | 106.7 | 160.6 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | I220 P224 | I220-S222 PolarHBondContact O-N 3.18Å; S222-P224 WeakPolarHBondContact O-CD 3.26Å | ||
| 223 | I | 42.8 | Very low | 51.9 | Low | 146 Ų | 146 | 115.5 Ų | 115.5 | 75% | 0.749 | 61% | 0.609 | S | S | * | * | trans | -57.5 | 121.4 | 175.7 | -60.5 | 160.6 | 0 | 0 | 0 | 107.7 | R221 I225 | R221-I223 PolarHBondContact O-N 2.78Å; R221-I223 VanDerWaalsContact O-N 3.11Å; I223-I225 PolarHBondContact O-N 3.48Å | ||
| 224 | P | 42.9 | Very low | 53.8 | Low | 39 Ų | 39 | 113.1 Ų | 113.1 | 25% | 0.253 | 59% | 0.589 | S | S | . | * | trans | -73 | 124.6 | 177 | -2.8 | 18.3 | 0 | 0 | 0 | 109.3 | P202 S203 S222 A226 | P202-P224 HydrophobicContact CB-CB 3.96Å; P202-P224 HydrophobicContact CB-CG 3.79Å; P202-P224 HydrophobicContact CG-CG 4.25Å; S203-P224 WeakPolarHBondContact O-CB 3.12Å; S203-P224 WeakPolarHBondContact O-CG 3.06Å; S222-P224 WeakPolarHBondContact O-CD 3.26Å; P224-A226 PolarHBondContact O-N 3.07Å | ||
| 225 | I | 42.1 | Very low | 56.2 | Low | 125 Ų | 125 | 109.1 Ų | 109.1 | 64% | 0.641 | 57% | 0.568 | S | S | * | * | trans | -69.1 | 99.2 | 179.5 | -60.4 | 161.9 | 0 | 0 | 0 | 107.1 | I223 T227 | I223-I225 PolarHBondContact O-N 3.48Å; I225-T227 PolarHBondContact O-N 3.42Å | ||
| 226 | A | 44.3 | Very low | 58.9 | Low | 81 Ų | 81 | 98.7 Ų | 98.7 | 67% | 0.669 | 53% | 0.529 | S | S | * | . | trans | -55.6 | 110.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | P224 S228 | P224-A226 PolarHBondContact O-N 3.07Å; A226-S228 PolarHBondContact O-N 2.87Å | ||
| 227 | T | 51.7 | Low | 61.6 | Low | 39 Ų | 39 | 94.7 Ų | 94.7 | 24% | 0.239 | 50% | 0.495 | C | S | . | . | trans | -65.8 | 105.7 | 173.7 | 45 | 0 | 0 | 0 | 0 | 107.6 | I225 R229 L230 G364 R366 | I225-T227 PolarHBondContact O-N 3.42Å; T227-R229 PolarHBondContact O-N 3.48Å; T227-L230 PolarHBondContact O-N 3.11Å; T227-L230 VanDerWaalsContact O-N 3.09Å; T227-G364 WeakPolarHBondContact CB-O 3.46Å; T227-G364 PolarHBondContact OG1-O 3.31Å; T227-G364 VanDerWaalsContact OG1-O 3.09Å; T227-R366 HydrophobicContact CG2-CG 4.07Å; T227-R366 VanDerWaalsContact CG2-NE 3.34Å | ||
| 228 | S | 52 | Low | 64.2 | Low | 121 Ų | 121 | 96.3 Ų | 96.3 | 85% | 0.846 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -9.5 | -178.4 | 56.3 | 0 | 0 | 0 | 0 | 115 | A226 | A226-S228 PolarHBondContact O-N 2.87Š|
| 229 | R | 69.3 | Low | 66.9 | Low | 143 Ų | 143 | 86.6 Ų | 86.6 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -7.5 | -176.6 | -58.9 | -176.2 | -178.4 | -178.7 | -0.6 | 114.3 | T227 L231 Q363 | T227-R229 PolarHBondContact O-N 3.48Å; R229-L231 PolarHBondContact O-N 2.67Å; R229-Q363 WeakPolarHBondContact O-CG 3.46Å; R229-Q363 PolarHBondContact O-NE2 3.21Å; R229-Q363 VanDerWaalsContact O-NE2 3.07Å |
| 230 | L | 78.7 | Confident | 69.2 | Low | 57 Ų | 57 | 80.3 Ų | 80.3 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -69.7 | 122.9 | 178.2 | -176 | 67.1 | 0 | 0 | 0 | 109.2 | T227 Q363 T365 | T227-L230 PolarHBondContact O-N 3.11Å; T227-L230 VanDerWaalsContact O-N 3.09Å; L230-Q363 WeakPolarHBondContact CD1-O 3.29Å; L230-T365 HydrophobicContact CD1-CG2 3.93Å |
| 231 | L | 80.2 | Confident | 71.5 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 5% | 0.047 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 133.5 | 175.6 | -79.4 | 97.7 | 0 | 0 | 0 | 109.8 | R229 V233 R235 L236 L360 Q363 | R229-L231 PolarHBondContact O-N 2.67Å; L231-V233 PolarHBondContact O-N 3.34Å; L231-R235 HydrophobicContact CD2-CB 4.11Å; L231-L236 HydrophobicContact CB-CD2 4.45Å; L231-L360 HydrophobicContact CD1-CD2 4.28Å; L231-L360 HydrophobicContact CD2-CD2 3.93Å; L231-Q363 HydrophobicContact CD1-CB 4Å; L231-Q363 HydrophobicContact CD1-CG 3.7Å |
| 232 | P | 82.9 | Confident | 74.2 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 20% | 0.201 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 139.8 | 167.5 | -25.7 | 34.8 | 0 | 0 | 0 | 111.6 | W234 R235 | P232-W234 HydrophobicContact CB-CD2 3.49Å; P232-W234 VanDerWaalsContact CB-CD2 3.49Å; P232-W234 HydrophobicContact CB-CE3 3.79Å; P232-W234 HydrophobicContact CB-CG 4.22Å; P232-W234 HydrophobicContact CB-CH2 3.53Å; P232-W234 HydrophobicContact CB-CZ2 3.19Å; P232-W234 HydrophobicContact CB-CZ3 3.83Å; P232-W234 HydrophobicContact CG-CH2 3.98Å; P232-W234 HydrophobicContact CG-CZ2 3.48Å; P232-W234 VanDerWaalsContact CG-CZ2 3.48Å; P232-W234 PolarHBondContact O-N 3.12Å; P232-W234 VanDerWaalsContact O-N 3.1Å; P232-R235 WeakPolarHBondContact O-CB 3.33Å; P232-R235 PolarHBondContact O-N 3.4Å |
| 233 | V | 85.8 | Confident | 76.7 | Confident | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.03 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -32.5 | -175.1 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | T165 P166 R197 L231 R235 L236 F237 | T165-V233 HydrophobicContact CG2-CG1 4.32Å; P166-V233 HydrophobicContact CB-CG1 4.11Å; R197-V233 VanDerWaalsContact C-CG2 3.44Å; R197-V233 HydrophobicContact CB-CG2 3.63Å; R197-V233 WeakPolarHBondContact O-CG2 3.32Å; L231-V233 PolarHBondContact O-N 3.34Å; V233-R235 PolarHBondContact O-N 2.87Å; V233-L236 WeakPolarHBondContact O-CA 3.32Å; V233-L236 WeakPolarHBondContact O-CB 3.24Å; V233-L236 PolarHBondContact O-N 2.71Å; V233-F237 HydrophobicContact CG1-CD1 4.36Å; V233-F237 HydrophobicContact CG1-CE1 3.61Å; V233-F237 HydrophobicContact CG1-CZ 3.85Å; V233-F237 PolarHBondContact O-N 3.42Å |
| 234 | W | 86.2 | Confident | 79.2 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 55% | 0.553 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.3 | -26.3 | 178.1 | 61.7 | 78.6 | 0 | 0 | 0 | 113.7 | H200 P232 L236 F237 P238 | H200-W234 AromaticContact CE1-CE3 3.48Å; H200-W234 VanDerWaalsContact CE1-CE3 3.48Å; H200-W234 AromaticContact CE1-CH2 3.9Å; H200-W234 AromaticContact CE1-CZ3 3.03Å; H200-W234 WeakPolarHBondContact CE1-CZ3 3.39Å; H200-W234 AromaticContact ND1-CZ3 3.81Å; H200-W234 AromaticContact NE2-CE3 3.84Å; H200-W234 AromaticContact NE2-CH2 3.65Å; H200-W234 AromaticContact NE2-CZ3 3.23Å; H200-W234 WeakPolarHBondContact NE2-CZ3 3.36Å; P232-W234 HydrophobicContact CB-CD2 3.49Å; P232-W234 VanDerWaalsContact CB-CD2 3.49Å; P232-W234 HydrophobicContact CB-CE3 3.79Å; P232-W234 HydrophobicContact CB-CG 4.22Å; P232-W234 HydrophobicContact CB-CH2 3.53Å; P232-W234 HydrophobicContact CB-CZ2 3.19Å; P232-W234 HydrophobicContact CB-CZ3 3.83Å; P232-W234 HydrophobicContact CG-CH2 3.98Å; P232-W234 HydrophobicContact CG-CZ2 3.48Å; P232-W234 VanDerWaalsContact CG-CZ2 3.48Å; P232-W234 PolarHBondContact O-N 3.12Å; P232-W234 VanDerWaalsContact O-N 3.1Å; W234-L236 VanDerWaalsContact C-N 3.27Å; W234-F237 HydrophobicContact CB-CD2 4.16Å; W234-F237 HydrophobicContact CB-CE2 4.1Å; W234-P238 WeakPolarHBondContact O-CD 3.36Å |
| 235 | R | 90.4 | Very high | 81.7 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.1 | -18.9 | 172.6 | -67.1 | -165.5 | 175.1 | 171.8 | 3.7 | 112.3 | L231 P232 V233 P239 D386 | L231-R235 HydrophobicContact CD2-CB 4.11Å; P232-R235 WeakPolarHBondContact O-CB 3.33Å; P232-R235 PolarHBondContact O-N 3.4Å; V233-R235 PolarHBondContact O-N 2.87Å; R235-P239 WeakPolarHBondContact O-CD 3.21Å; R235-D386 WeakPolarHBondContact CD-O 3.31Å; R235-D386 PolarHBondContact NH1-O 2.91Å |
| 236 | L | 91.6 | Very high | 84.3 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -85.8 | -21.6 | 176.4 | -58.2 | 177.5 | 0 | 0 | 0 | 112.8 | T165 S169 L231 V233 W234 P239 V240 L360 | T165-L236 HydrophobicContact CG2-CB 3.88Å; S169-L236 WeakPolarHBondContact OG-CD1 3.07Å; L231-L236 HydrophobicContact CB-CD2 4.45Å; V233-L236 WeakPolarHBondContact O-CA 3.32Å; V233-L236 WeakPolarHBondContact O-CB 3.24Å; V233-L236 PolarHBondContact O-N 2.71Å; W234-L236 VanDerWaalsContact C-N 3.27Å; L236-P239 VanDerWaalsContact O-CD 3.23Å; L236-P239 WeakPolarHBondContact O-CD 3.43Å; L236-P239 WeakPolarHBondContact O-CG 3.26Å; L236-V240 HydrophobicContact CB-CG2 4.41Å; L236-V240 VanDerWaalsContact O-CB 3.29Å; L236-V240 WeakPolarHBondContact O-CB 3.35Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 3.31Å; L236-V240 VanDerWaalsContact O-N 3.09Å; L236-L360 HydrophobicContact CD2-CB 3.76Å |
| 237 | F | 93.5 | Very high | 86.7 | Confident | 50 Ų | 50 | 50.2 Ų | 50.2 | 22% | 0.219 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -53.7 | -179 | -61 | -39.9 | 0 | 0 | 0 | 113 | V162 T165 V233 W234 V240 V241 | V162-F237 HydrophobicContact CG1-CD1 4.16Å; V162-F237 HydrophobicContact CG1-CD2 4.37Å; V162-F237 HydrophobicContact CG1-CE1 4.14Å; V162-F237 HydrophobicContact CG1-CE2 4.36Å; V162-F237 HydrophobicContact CG1-CG 4.3Å; V162-F237 HydrophobicContact CG1-CZ 4.26Å; V162-F237 VanDerWaalsContact O-CE1 3.22Å; V162-F237 WeakPolarHBondContact O-CE1 3.3Å; T165-F237 HydrophobicContact CG2-CD1 3.6Å; T165-F237 HydrophobicContact CG2-CE1 4.01Å; V233-F237 HydrophobicContact CG1-CD1 4.36Å; V233-F237 HydrophobicContact CG1-CE1 3.61Å; V233-F237 HydrophobicContact CG1-CZ 3.85Å; V233-F237 PolarHBondContact O-N 3.42Å; W234-F237 HydrophobicContact CB-CD2 4.16Å; W234-F237 HydrophobicContact CB-CE2 4.1Å; F237-V240 PolarHBondContact O-N 2.82Å; F237-V241 VanDerWaalsContact O-CB 3.26Å; F237-V241 WeakPolarHBondContact O-CB 3.02Å; F237-V241 WeakPolarHBondContact O-CG2 3.33Å; F237-V241 PolarHBondContact O-N 3.39Å |
| 238 | P | 94.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 51.5 Ų | 51.5 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.1 | -49.5 | -176.9 | -21.5 | 33.5 | 0 | 0 | 0 | 114 | W234 L242 | W234-P238 WeakPolarHBondContact O-CD 3.36Å; P238-L242 WeakPolarHBondContact O-CB 3.33Å; P238-L242 PolarHBondContact O-N 3.07Å |
| 239 | P | 95.7 | Very high | 90.7 | Very high | 5 Ų | 5 | 49 Ų | 49 | 3% | 0.032 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.1 | -33.9 | -177.5 | 30.9 | -38 | 0 | 0 | 0 | 113.2 | R235 L236 L243 V357 L360 F388 | R235-P239 WeakPolarHBondContact O-CD 3.21Å; L236-P239 VanDerWaalsContact O-CD 3.23Å; L236-P239 WeakPolarHBondContact O-CD 3.43Å; L236-P239 WeakPolarHBondContact O-CG 3.26Å; P239-L243 WeakPolarHBondContact O-CB 3.37Å; P239-L243 PolarHBondContact O-N 3.47Å; P239-V357 HydrophobicContact CB-CG2 3.84Å; P239-V357 WeakPolarHBondContact O-CG2 3.37Å; P239-L360 HydrophobicContact CB-CD1 4.45Å; P239-L360 HydrophobicContact CG-CD1 4.14Å; P239-F388 HydrophobicContact CB-CB 4.24Å; P239-F388 HydrophobicContact CB-CD2 3.5Å; P239-F388 HydrophobicContact CB-CE2 4.11Å; P239-F388 HydrophobicContact CB-CG 4.06Å; P239-F388 HydrophobicContact CG-CB 4.45Å; P239-F388 HydrophobicContact CG-CD2 4.43Å |
| 240 | V | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.6 | -42.4 | 176.7 | 173 | 0 | 0 | 0 | 0 | 111.4 | W161 T165 F168 L236 F237 L243 N244 V357 | W161-V240 HydrophobicContact CE3-CG1 4.31Å; T165-V240 HydrophobicContact CG2-CB 4.15Å; T165-V240 HydrophobicContact CG2-CG1 4.27Å; T165-V240 HydrophobicContact CG2-CG2 4.09Å; F168-V240 HydrophobicContact CD1-CG1 3.65Å; F168-V240 HydrophobicContact CD1-CG2 4.17Å; F168-V240 HydrophobicContact CE1-CG1 4.02Å; F168-V240 HydrophobicContact CE1-CG2 4.33Å; F168-V240 HydrophobicContact CG-CG1 4.46Å; L236-V240 HydrophobicContact CB-CG2 4.41Å; L236-V240 VanDerWaalsContact O-CB 3.29Å; L236-V240 WeakPolarHBondContact O-CB 3.35Å; L236-V240 WeakPolarHBondContact O-CG2 3.35Å; L236-V240 PolarHBondContact O-N 3.31Å; L236-V240 VanDerWaalsContact O-N 3.09Å; F237-V240 PolarHBondContact O-N 2.82Å; V240-L243 PolarHBondContact O-N 3.41Å; V240-N244 PolarHBondContact O-N 3.03Å; V240-N244 VanDerWaalsContact O-N 3.09Å; V240-N244 PolarHBondContact O-ND2 3.22Å; V240-V357 HydrophobicContact CG2-CG1 3.78Å |
| 241 | V | 96.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V158 W161 V162 F237 L243 N244 V245 | V158-V241 HydrophobicContact CB-CG1 4.24Å; V158-V241 HydrophobicContact CG1-CG1 4.02Å; V158-V241 HydrophobicContact CG2-CG1 3.9Å; W161-V241 HydrophobicContact CB-CG2 3.95Å; V162-V241 HydrophobicContact CG2-CG2 3.75Å; F237-V241 VanDerWaalsContact O-CB 3.26Å; F237-V241 WeakPolarHBondContact O-CB 3.02Å; F237-V241 WeakPolarHBondContact O-CG2 3.33Å; F237-V241 PolarHBondContact O-N 3.39Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 3.49Å; V241-N244 PolarHBondContact O-N 3.07Å; V241-V245 HydrophobicContact CG1-CG2 3.85Å; V241-V245 VanDerWaalsContact O-CB 3.24Å; V241-V245 WeakPolarHBondContact O-CB 3.42Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.27Å |
| 242 | L | 96.4 | Very high | 93.2 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 52% | 0.524 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -57.3 | -46.3 | 177.1 | 177.7 | 64.1 | 0 | 0 | 0 | 111.5 | P238 G246 V353 | P238-L242 WeakPolarHBondContact O-CB 3.33Å; P238-L242 PolarHBondContact O-N 3.07Å; L242-G246 VanDerWaalsContact O-CA 3.22Å; L242-G246 WeakPolarHBondContact O-CA 3.38Å; L242-G246 PolarHBondContact O-N 3.01Å; L242-V353 HydrophobicContact CD2-CG1 4.47Å |
| 243 | L | 96.6 | Very high | 93.7 | Very high | 13 Ų | 13 | 52.5 Ų | 52.5 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -55.8 | 177.3 | 175.9 | 63.2 | 0 | 0 | 0 | 111.2 | P239 V240 V241 H247 L350 V353 E354 V357 | P239-L243 WeakPolarHBondContact O-CB 3.37Å; P239-L243 PolarHBondContact O-N 3.47Å; V240-L243 PolarHBondContact O-N 3.41Å; V241-L243 VanDerWaalsContact C-N 3.33Å; V241-L243 PolarHBondContact O-N 3.49Å; L243-H247 VanDerWaalsContact O-CB 3.26Å; L243-H247 WeakPolarHBondContact O-CB 3.22Å; L243-H247 PolarHBondContact O-N 3.22Å; L243-L350 HydrophobicContact CD1-CB 4.17Å; L243-L350 HydrophobicContact CD1-CD2 4.31Å; L243-L350 WeakPolarHBondContact O-CD2 3.41Å; L243-V353 HydrophobicContact CB-CG1 4.14Å; L243-V353 HydrophobicContact CD1-CB 4.42Å; L243-V353 HydrophobicContact CD1-CG1 4.29Å; L243-E354 HydrophobicContact CD1-CB 3.88Å; L243-E354 HydrophobicContact CD2-CB 4.42Å; L243-V357 HydrophobicContact CB-CG2 4.21Å; L243-V357 HydrophobicContact CD2-CB 4.04Å; L243-V357 HydrophobicContact CD2-CG1 3.99Å; L243-V357 HydrophobicContact CD2-CG2 4.11Å |
| 244 | N | 95.6 | Very high | 94.1 | Very high | 30 Ų | 30 | 52.9 Ų | 52.9 | 16% | 0.16 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.4 | -39.2 | -169.3 | -68.5 | -76.1 | 0 | 0 | 0 | 113.7 | W161 V240 V241 H247 Y248 | W161-N244 HydrophobicContact CD2-CB 3.43Å; W161-N244 VanDerWaalsContact CD2-CB 3.43Å; W161-N244 HydrophobicContact CE3-CB 3.9Å; W161-N244 HydrophobicContact CG-CB 3.89Å; W161-N244 HydrophobicContact CH2-CB 3.96Å; W161-N244 WeakPolarHBondContact CH2-OD1 3.4Å; W161-N244 HydrophobicContact CZ2-CB 3.51Å; W161-N244 VanDerWaalsContact CZ2-CG 3.44Å; W161-N244 WeakPolarHBondContact CZ2-OD1 3.48Å; W161-N244 HydrophobicContact CZ3-CB 4.14Å; W161-N244 VanDerWaalsContact CZ3-CG 3.42Å; W161-N244 WeakPolarHBondContact CZ3-ND2 3.29Å; V240-N244 PolarHBondContact O-N 3.03Å; V240-N244 VanDerWaalsContact O-N 3.09Å; V240-N244 PolarHBondContact O-ND2 3.22Å; V241-N244 PolarHBondContact O-N 3.07Å; N244-H247 PolarHBondContact O-N 2.99Å; N244-Y248 PolarHBondContact O-N 2.9Å; N244-Y248 VanDerWaalsContact O-N 3.12Å |
| 245 | V | 95.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 46.8 Ų | 46.8 | 10% | 0.103 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -39.6 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 110 | L154 K157 V158 V241 H247 Y248 V249 | L154-V245 HydrophobicContact CD2-CG1 4.25Å; K157-V245 HydrophobicContact CB-CG2 4.17Å; V158-V245 HydrophobicContact CG2-CG1 4.3Å; V158-V245 HydrophobicContact CG2-CG2 3.95Å; V241-V245 HydrophobicContact CG1-CG2 3.85Å; V241-V245 VanDerWaalsContact O-CB 3.24Å; V241-V245 WeakPolarHBondContact O-CB 3.42Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.27Å; V245-H247 VanDerWaalsContact C-N 3.3Å; V245-H247 PolarHBondContact O-N 3Å; V245-Y248 PolarHBondContact O-N 3.15Å; V245-V249 WeakPolarHBondContact O-CG2 3.49Å; V245-V249 PolarHBondContact O-N 3.27Å |
| 246 | G | 95.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.9 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L242 Y248 V249 V250 L350 | L242-G246 VanDerWaalsContact O-CA 3.22Å; L242-G246 WeakPolarHBondContact O-CA 3.38Å; L242-G246 PolarHBondContact O-N 3.01Å; G246-Y248 PolarHBondContact O-N 2.89Å; G246-V249 PolarHBondContact O-N 3.02Å; G246-V250 WeakPolarHBondContact O-CG2 3.47Å; G246-V250 PolarHBondContact O-N 2.88Å; G246-L350 VanDerWaalsContact C-CD2 3.47Å |
| 247 | H | 96 | Very high | 94.1 | Very high | 40 Ų | 40 | 46.9 Ų | 46.9 | 19% | 0.185 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.5 | -169.8 | -75 | 0 | 0 | 0 | 111.1 | L243 N244 V245 V249 V250 R251 D347 L350 | L243-H247 VanDerWaalsContact O-CB 3.26Å; L243-H247 WeakPolarHBondContact O-CB 3.22Å; L243-H247 PolarHBondContact O-N 3.22Å; N244-H247 PolarHBondContact O-N 2.99Å; V245-H247 VanDerWaalsContact C-N 3.3Å; V245-H247 PolarHBondContact O-N 3Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 3.15Å; H247-V250 PolarHBondContact O-N 2.82Å; H247-R251 WeakPolarHBondContact O-CB 3.34Å; H247-R251 PolarHBondContact O-N 3.04Å; H247-D347 IonicContact CD2-OD1 3.88Å; H247-D347 PolarHBondContact CD2-OD1 3.3Å; H247-D347 IonicContact CE1-OD1 3.55Å; H247-D347 IonicContact NE2-OD1 2.65Å; H247-D347 PolarHBondContact NE2-OD1 3.15Å; H247-L350 VanDerWaalsContact CA-CD2 3.43Å; H247-L350 HydrophobicContact CB-CD2 3.75Å |
| 248 | Y | 93.6 | Very high | 93.9 | Very high | 67 Ų | 67 | 45 Ų | 45 | 26% | 0.263 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.2 | -45.2 | 175 | 176.6 | -99.3 | 0 | 0 | 0 | 112.7 | H153 L154 N244 V245 G246 S252 | H153-Y248 AromaticContact CD2-CE1 3.74Å; H153-Y248 AromaticContact CD2-CZ 3.84Å; H153-Y248 PolarHBondContact CD2-OH 3.29Å; H153-Y248 AromaticContact NE2-CE1 3.71Å; H153-Y248 AromaticContact NE2-CZ 3.39Å; H153-Y248 PolarHBondContact NE2-OH 3.4Å; H153-Y248 VanDerWaalsContact NE2-OH 3.07Å; L154-Y248 HydrophobicContact CD2-CD1 4.12Å; L154-Y248 HydrophobicContact CD2-CE1 4.26Å; N244-Y248 PolarHBondContact O-N 2.9Å; N244-Y248 VanDerWaalsContact O-N 3.12Å; V245-Y248 PolarHBondContact O-N 3.15Å; G246-Y248 PolarHBondContact O-N 2.89Å; Y248-S252 VanDerWaalsContact O-CB 3.24Å; Y248-S252 WeakPolarHBondContact O-CB 3.43Å; Y248-S252 PolarHBondContact O-N 3.35Å |
| 249 | V | 94.3 | Very high | 93.4 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65 | -50.2 | 180 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | L154 V245 G246 H247 S252 F253 | L154-V249 HydrophobicContact CD2-CG2 3.65Å; V245-V249 WeakPolarHBondContact O-CG2 3.49Å; V245-V249 PolarHBondContact O-N 3.27Å; G246-V249 PolarHBondContact O-N 3.02Å; H247-V249 VanDerWaalsContact C-N 3.34Å; H247-V249 PolarHBondContact O-N 3.15Å; V249-S252 PolarHBondContact O-N 3.07Å; V249-F253 PolarHBondContact O-N 3.48Å |
| 250 | V | 95.7 | Very high | 92.9 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 22% | 0.218 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 179.8 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | G246 H247 S252 F253 A254 V345 A346 V349 L350 | G246-V250 WeakPolarHBondContact O-CG2 3.47Å; G246-V250 PolarHBondContact O-N 2.88Å; H247-V250 PolarHBondContact O-N 2.82Å; V250-S252 PolarHBondContact O-N 2.79Å; V250-F253 PolarHBondContact O-N 2.96Å; V250-A254 WeakPolarHBondContact O-CB 3.14Å; V250-A254 PolarHBondContact O-N 3.01Å; V250-V345 HydrophobicContact CG1-CG1 4.47Å; V250-A346 HydrophobicContact CB-CB 4.22Å; V250-A346 HydrophobicContact CG1-CB 4.03Å; V250-V349 HydrophobicContact CG1-CB 4.42Å; V250-L350 HydrophobicContact CG2-CD1 3.95Å |
| 251 | R | 94.5 | Very high | 92.4 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 175.1 | -179.5 | -169.2 | 173.5 | 155.1 | 2.7 | 111.8 | H247 A254 S255 A342 N343 A346 | H247-R251 WeakPolarHBondContact O-CB 3.34Å; H247-R251 PolarHBondContact O-N 3.04Å; R251-A254 PolarHBondContact O-N 3.28Å; R251-S255 WeakPolarHBondContact O-CB 3.27Å; R251-S255 PolarHBondContact O-N 3.22Å; R251-A342 HydrophobicContact CG-CB 4.3Å; R251-N343 WeakPolarHBondContact CD-OD1 3.31Å; R251-N343 PolarHBondContact NE-OD1 3.2Å; R251-N343 PolarHBondContact NH1-OD1 3.01Å; R251-A346 HydrophobicContact CB-CB 4.01Å |
| 252 | S | 90.6 | Very high | 91.6 | Very high | 56 Ų | 56 | 62.5 Ų | 62.5 | 39% | 0.392 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -44.1 | 179.9 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | Y248 V249 V250 S255 T256 | Y248-S252 VanDerWaalsContact O-CB 3.24Å; Y248-S252 WeakPolarHBondContact O-CB 3.43Å; Y248-S252 PolarHBondContact O-N 3.35Å; V249-S252 PolarHBondContact O-N 3.07Å; V250-S252 PolarHBondContact O-N 2.79Å; S252-S255 PolarHBondContact O-N 3.39Å; S252-T256 PolarHBondContact O-N 3.06Å; S252-T256 VanDerWaalsContact O-N 3.11Å; S252-T256 PolarHBondContact O-OG1 3.49Å |
| 253 | F | 92.2 | Very high | 90.5 | Very high | 151 Ų | 151 | 59.8 Ų | 59.8 | 66% | 0.662 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.4 | -50.8 | 174.7 | -177.1 | -100.5 | 0 | 0 | 0 | 111.6 | V249 V250 S255 T256 V257 | V249-F253 PolarHBondContact O-N 3.48Å; V250-F253 PolarHBondContact O-N 2.96Å; F253-S255 VanDerWaalsContact C-N 3.28Å; F253-S255 PolarHBondContact O-N 3.36Å; F253-T256 WeakPolarHBondContact O-CB 3.47Å; F253-T256 PolarHBondContact O-N 3.26Å; F253-T256 VanDerWaalsContact O-N 3.1Å; F253-V257 HydrophobicContact CD1-CG2 4.39Å; F253-V257 HydrophobicContact CE1-CG2 4.01Å; F253-V257 HydrophobicContact CZ-CG2 4.13Å; F253-V257 WeakPolarHBondContact O-CG2 3.45Å; F253-V257 PolarHBondContact O-N 3.18Å |
| 254 | A | 94.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V250 R251 V257 A258 A342 V345 | V250-A254 WeakPolarHBondContact O-CB 3.14Å; V250-A254 PolarHBondContact O-N 3.01Å; R251-A254 PolarHBondContact O-N 3.28Å; A254-V257 PolarHBondContact O-N 3.28Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 2.83Å; A254-A342 HydrophobicContact CB-CB 3.91Å; A254-V345 HydrophobicContact CB-CB 4.12Å; A254-V345 HydrophobicContact CB-CG1 4.04Å |
| 255 | S | 90.3 | Very high | 87.1 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 13% | 0.126 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | R251 S252 F253 L259 A342 | R251-S255 WeakPolarHBondContact O-CB 3.27Å; R251-S255 PolarHBondContact O-N 3.22Å; S252-S255 PolarHBondContact O-N 3.39Å; F253-S255 VanDerWaalsContact C-N 3.28Å; F253-S255 PolarHBondContact O-N 3.36Å; S255-L259 VanDerWaalsContact O-CB 3.25Å; S255-L259 WeakPolarHBondContact O-CB 3.18Å; S255-L259 WeakPolarHBondContact O-CG 3.27Å; S255-L259 PolarHBondContact O-N 3Å; S255-A342 VanDerWaalsContact N-CB 3.31Å |
| 256 | T | 87 | Confident | 85.3 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.3 | -45 | 175.1 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | S252 F253 Y260 | S252-T256 PolarHBondContact O-N 3.06Å; S252-T256 VanDerWaalsContact O-N 3.11Å; S252-T256 PolarHBondContact O-OG1 3.49Å; F253-T256 WeakPolarHBondContact O-CB 3.47Å; F253-T256 PolarHBondContact O-N 3.26Å; F253-T256 VanDerWaalsContact O-N 3.1Å; T256-Y260 PolarHBondContact O-N 3.12Å; T256-Y260 VanDerWaalsContact O-N 3.08Å |
| 257 | V | 90.6 | Very high | 83.5 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 177.1 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | F253 A254 L259 Y260 Y261 | F253-V257 HydrophobicContact CD1-CG2 4.39Å; F253-V257 HydrophobicContact CE1-CG2 4.01Å; F253-V257 HydrophobicContact CZ-CG2 4.13Å; F253-V257 WeakPolarHBondContact O-CG2 3.45Å; F253-V257 PolarHBondContact O-N 3.18Å; A254-V257 PolarHBondContact O-N 3.28Å; V257-L259 VanDerWaalsContact C-N 3.35Å; V257-L259 PolarHBondContact O-N 3.24Å; V257-Y260 WeakPolarHBondContact O-CB 3.46Å; V257-Y260 PolarHBondContact O-N 2.9Å; V257-Y260 VanDerWaalsContact O-N 3.12Å; V257-Y261 HydrophobicContact CG1-CD2 3.61Å; V257-Y261 HydrophobicContact CG1-CE2 3.42Å; V257-Y261 VanDerWaalsContact CG1-CE2 3.42Å; V257-Y261 WeakPolarHBondContact O-CD2 3.39Å; V257-Y261 PolarHBondContact O-N 3.47Å |
| 258 | A | 89.3 | Confident | 81.5 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -39.3 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | A254 Y260 Y261 W262 A338 T341 | A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 2.83Å; A258-Y260 VanDerWaalsContact C-N 3.34Å; A258-Y261 PolarHBondContact O-N 3.19Å; A258-W262 WeakPolarHBondContact O-CB 3.46Å; A258-W262 PolarHBondContact O-N 2.66Å; A258-A338 HydrophobicContact CB-CB 3.9Å; A258-T341 WeakPolarHBondContact CB-OG1 3.25Å |
| 259 | L | 85.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 76 Ų | 76 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 173.2 | -75.3 | 170.5 | 0 | 0 | 0 | 111.5 | S255 V257 Y261 S263 D335 A338 | S255-L259 VanDerWaalsContact O-CB 3.25Å; S255-L259 WeakPolarHBondContact O-CB 3.18Å; S255-L259 WeakPolarHBondContact O-CG 3.27Å; S255-L259 PolarHBondContact O-N 3Å; V257-L259 VanDerWaalsContact C-N 3.35Å; V257-L259 PolarHBondContact O-N 3.24Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.31Å; L259-S263 WeakPolarHBondContact O-CA 3.43Å; L259-S263 WeakPolarHBondContact O-CB 3.42Å; L259-S263 PolarHBondContact O-N 3.46Å; L259-D335 WeakPolarHBondContact CD2-OD1 3.36Å; L259-A338 HydrophobicContact CD2-CB 3.52Å; L259-A338 HydrophobicContact CG-CB 3.75Å |
| 260 | Y | 85 | Confident | 78.1 | Confident | 185 Ų | 185 | 78.1 Ų | 78.1 | 73% | 0.725 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 174.8 | -178.8 | -102.4 | 0 | 0 | 0 | 112 | T256 V257 A258 G264 | T256-Y260 PolarHBondContact O-N 3.12Å; T256-Y260 VanDerWaalsContact O-N 3.08Å; V257-Y260 WeakPolarHBondContact O-CB 3.46Å; V257-Y260 PolarHBondContact O-N 2.9Å; V257-Y260 VanDerWaalsContact O-N 3.12Å; A258-Y260 VanDerWaalsContact C-N 3.34Å; Y260-G264 PolarHBondContact O-N 3.38Å |
| 261 | Y | 85.1 | Confident | 76.3 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 66% | 0.655 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.3 | -41.2 | 177.5 | -79.3 | -70.5 | 0 | 0 | 0 | 113.7 | V257 A258 L259 | V257-Y261 HydrophobicContact CG1-CD2 3.61Å; V257-Y261 HydrophobicContact CG1-CE2 3.42Å; V257-Y261 VanDerWaalsContact CG1-CE2 3.42Å; V257-Y261 WeakPolarHBondContact O-CD2 3.39Å; V257-Y261 PolarHBondContact O-N 3.47Å; A258-Y261 PolarHBondContact O-N 3.19Å; L259-Y261 VanDerWaalsContact C-N 3.34Å; L259-Y261 PolarHBondContact O-N 3.31Å |
| 262 | W | 80.4 | Confident | 74.4 | Confident | 109 Ų | 109 | 83.9 Ų | 83.9 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -83.7 | -42.7 | -176.9 | -70 | 121.3 | 0 | 0 | 0 | 113.3 | A258 G264 A334 F337 | A258-W262 WeakPolarHBondContact O-CB 3.46Å; A258-W262 PolarHBondContact O-N 2.66Å; W262-G264 VanDerWaalsContact C-N 3.3Å; W262-G264 PolarHBondContact O-N 2.94Å; W262-A334 HydrophobicContact CB-CB 4.47Å; W262-F337 AromaticContact CD1-CD1 3.87Å; W262-F337 HydrophobicContact CD2-CD1 4.03Å; W262-F337 HydrophobicContact CD2-CE1 4.4Å; W262-F337 AromaticContact CE2-CD1 3.4Å; W262-F337 AromaticContact CE2-CE1 3.43Å; W262-F337 VanDerWaalsContact CE2-CE1 3.43Å; W262-F337 HydrophobicContact CG-CD1 4.33Å; W262-F337 HydrophobicContact CH2-CE1 4.09Å; W262-F337 AromaticContact CZ2-CD1 3.75Å; W262-F337 HydrophobicContact CZ2-CD1 3.75Å; W262-F337 AromaticContact CZ2-CE1 3.27Å; W262-F337 HydrophobicContact CZ2-CE1 3.27Å; W262-F337 HydrophobicContact CZ2-CZ 4.24Å; W262-F337 AromaticContact NE1-CD1 3.29Å; W262-F337 VanDerWaalsContact NE1-CD1 3.29Å; W262-F337 AromaticContact NE1-CE1 3.57Å |
| 263 | S | 72.8 | Confident | 72.8 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.3 | -26.1 | 177.7 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | L259 N265 E266 D267 | L259-S263 WeakPolarHBondContact O-CA 3.43Å; L259-S263 WeakPolarHBondContact O-CB 3.42Å; L259-S263 PolarHBondContact O-N 3.46Å; S263-N265 PolarHBondContact O-N 2.63Å; S263-N265 VanDerWaalsContact O-N 3.16Å; S263-E266 WeakPolarHBondContact O-CB 3.29Å; S263-E266 PolarHBondContact O-N 3.01Å; S263-D267 PolarHBondContact O-N 2.95Å |
| 264 | G | 63.8 | Low | 71.3 | Confident | 39 Ų | 39 | 81.3 Ų | 81.3 | 40% | 0.402 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y260 W262 | Y260-G264 PolarHBondContact O-N 3.38Å; W262-G264 VanDerWaalsContact C-N 3.3Å; W262-G264 PolarHBondContact O-N 2.94Å |
| 265 | N | 57.1 | Low | 69.6 | Low | 109 Ų | 109 | 87 Ų | 87 | 58% | 0.583 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -24.8 | 171.9 | -82.9 | -0.3 | 0 | 0 | 0 | 112.8 | S263 R268 | S263-N265 PolarHBondContact O-N 2.63Å; S263-N265 VanDerWaalsContact O-N 3.16Å; N265-R268 WeakPolarHBondContact O-CB 3.39Å; N265-R268 PolarHBondContact O-N 3.09Å |
| 266 | E | 57.6 | Low | 68 | Low | 39 Ų | 39 | 91.3 Ų | 91.3 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -80.5 | -37.1 | -175.3 | -61.5 | -177.4 | 136.6 | 0 | 0 | 111.9 | S263 R268 L269 E270 A334 | S263-E266 WeakPolarHBondContact O-CB 3.29Å; S263-E266 PolarHBondContact O-N 3.01Å; E266-R268 PolarHBondContact O-N 3.26Å; E266-L269 CarbonylContact O-C 3.57Å; E266-L269 WeakPolarHBondContact O-CA 3.42Å; E266-L269 PolarHBondContact O-N 3.16Å; E266-E270 PolarHBondContact O-N 3.38Å; E266-A334 VanDerWaalsContact CD-CB 3.46Å; E266-A334 WeakPolarHBondContact OE1-CB 3.29Å; E266-A334 VanDerWaalsContact OE2-CB 3.3Å; E266-A334 WeakPolarHBondContact OE2-CB 3.24Å |
| 267 | D | 57.1 | Low | 66.5 | Low | 83 Ų | 83 | 93.9 Ų | 93.9 | 44% | 0.444 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.7 | -20.7 | 172.3 | -65.1 | -13.9 | 0 | 0 | 0 | 112.2 | S263 R271 | S263-D267 PolarHBondContact O-N 2.95Å; D267-R271 WeakPolarHBondContact O-CB 3.39Å; D267-R271 VanDerWaalsContact O-CG 3.3Å; D267-R271 WeakPolarHBondContact O-CG 3.5Å; D267-R271 PolarHBondContact O-N 2.92Å; D267-R271 PolarHBondContact O-NE 3.45Å |
| 268 | R | 55.7 | Low | 64.8 | Low | 152 Ų | 152 | 95.5 Ų | 95.5 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -79.4 | -42.8 | 173.6 | -157.4 | 173.3 | 81.3 | 89.7 | -1.4 | 111.1 | N265 E266 D272 | N265-R268 WeakPolarHBondContact O-CB 3.39Å; N265-R268 PolarHBondContact O-N 3.09Å; E266-R268 PolarHBondContact O-N 3.26Å; R268-D272 IonicContact NH1-OD2 3.6Å; R268-D272 WeakPolarHBondContact O-CB 3.33Å; R268-D272 PolarHBondContact O-N 3.38Å |
| 269 | L | 56.7 | Low | 63.2 | Low | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -69.4 | -39.8 | 177.8 | -70.9 | 163.2 | 0 | 0 | 0 | 112.4 | E266 D272 A273 | E266-L269 CarbonylContact O-C 3.57Å; E266-L269 WeakPolarHBondContact O-CA 3.42Å; E266-L269 PolarHBondContact O-N 3.16Å; L269-D272 PolarHBondContact O-N 3.3Å; L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.4Å; L269-A273 PolarHBondContact O-N 2.98Å |
| 270 | E | 60 | Low | 61.7 | Low | 112 Ų | 112 | 109.8 Ų | 109.8 | 52% | 0.523 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 174.7 | -172.8 | 171.9 | -164.2 | 0 | 0 | 110.5 | E266 A273 E274 | E266-E270 PolarHBondContact O-N 3.38Å; E270-A273 PolarHBondContact O-N 2.68Å; E270-E274 WeakPolarHBondContact O-CB 3.46Å; E270-E274 WeakPolarHBondContact O-CG 3.38Å; E270-E274 PolarHBondContact O-N 3.03Å |
| 271 | R | 57.2 | Low | 60.1 | Low | 152 Ų | 152 | 104.5 Ų | 104.5 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.7 | -41.7 | 173.8 | -80.2 | -174.4 | -74.4 | 162.5 | -7.7 | 113 | D267 A273 E274 M275 | D267-R271 WeakPolarHBondContact O-CB 3.39Å; D267-R271 VanDerWaalsContact O-CG 3.3Å; D267-R271 WeakPolarHBondContact O-CG 3.5Å; D267-R271 PolarHBondContact O-N 2.92Å; D267-R271 PolarHBondContact O-NE 3.45Å; R271-A273 VanDerWaalsContact C-N 3.3Å; R271-A273 PolarHBondContact O-N 2.86Å; R271-E274 PolarHBondContact O-N 3.15Å; R271-M275 WeakPolarHBondContact O-CB 3.31Å; R271-M275 WeakPolarHBondContact O-CG 3.48Å; R271-M275 PolarHBondContact O-N 2.88Å |
| 272 | D | 55 | Low | 58.4 | Low | 76 Ų | 76 | 102 Ų | 102 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -37.9 | 177.1 | -69.2 | -16.7 | 0 | 0 | 0 | 110.4 | R268 L269 M275 D276 | R268-D272 IonicContact NH1-OD2 3.6Å; R268-D272 WeakPolarHBondContact O-CB 3.33Å; R268-D272 PolarHBondContact O-N 3.38Å; L269-D272 PolarHBondContact O-N 3.3Å; D272-M275 PolarHBondContact O-N 2.74Å; D272-D276 PolarHBondContact O-N 3.02Å; D272-D276 VanDerWaalsContact O-N 3.12Å |
| 273 | A | 57.3 | Low | 56.8 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L269 E270 R271 M275 D276 F277 | L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.4Å; L269-A273 PolarHBondContact O-N 2.98Å; E270-A273 PolarHBondContact O-N 2.68Å; R271-A273 VanDerWaalsContact C-N 3.3Å; R271-A273 PolarHBondContact O-N 2.86Å; A273-M275 VanDerWaalsContact C-N 3.33Å; A273-D276 PolarHBondContact O-N 3.46Å; A273-F277 VanDerWaalsContact O-CB 3.31Å; A273-F277 WeakPolarHBondContact O-CB 3.18Å; A273-F277 PolarHBondContact O-N 2.73Å |
| 274 | E | 59.4 | Low | 55.6 | Low | 104 Ų | 104 | 106.1 Ų | 106.1 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 174 | -75.4 | -180 | 169.4 | 0 | 0 | 111.9 | E270 R271 F277 N278 | E270-E274 WeakPolarHBondContact O-CB 3.46Å; E270-E274 WeakPolarHBondContact O-CG 3.38Å; E270-E274 PolarHBondContact O-N 3.03Å; R271-E274 PolarHBondContact O-N 3.15Å; E274-F277 WeakPolarHBondContact O-CB 3.22Å; E274-F277 PolarHBondContact O-N 3.5Å; E274-N278 PolarHBondContact O-N 3.37Å |
| 275 | M | 58.7 | Low | 54.7 | Low | 131 Ų | 131 | 111.3 Ų | 111.3 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -44.4 | 177.4 | -73.6 | -68.1 | -67.9 | 0 | 0 | 112 | R271 D272 A273 F277 N278 Y279 | R271-M275 WeakPolarHBondContact O-CB 3.31Å; R271-M275 WeakPolarHBondContact O-CG 3.48Å; R271-M275 PolarHBondContact O-N 2.88Å; D272-M275 PolarHBondContact O-N 2.74Å; A273-M275 VanDerWaalsContact C-N 3.33Å; M275-F277 VanDerWaalsContact C-N 3.27Å; M275-F277 PolarHBondContact O-N 3.04Å; M275-N278 PolarHBondContact O-N 2.94Å; M275-Y279 PolarHBondContact O-N 3.05Å; M275-Y279 VanDerWaalsContact O-N 3.12Å |
| 276 | D | 57.8 | Low | 54 | Low | 110 Ų | 110 | 115.2 Ų | 115.2 | 59% | 0.588 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -33.5 | 174.1 | -86.7 | -5.8 | 0 | 0 | 0 | 112.1 | D272 A273 K280 | D272-D276 PolarHBondContact O-N 3.02Å; D272-D276 VanDerWaalsContact O-N 3.12Å; A273-D276 PolarHBondContact O-N 3.46Å; D276-K280 PolarHBondContact O-N 3.01Å |
| 277 | F | 54.2 | Low | 53.1 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 54% | 0.535 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.2 | -45.8 | 176.8 | -179.7 | -97.2 | 0 | 0 | 0 | 112.8 | A273 E274 M275 Y279 K280 T281 | A273-F277 VanDerWaalsContact O-CB 3.31Å; A273-F277 WeakPolarHBondContact O-CB 3.18Å; A273-F277 PolarHBondContact O-N 2.73Å; E274-F277 WeakPolarHBondContact O-CB 3.22Å; E274-F277 PolarHBondContact O-N 3.5Å; M275-F277 VanDerWaalsContact C-N 3.27Å; M275-F277 PolarHBondContact O-N 3.04Å; F277-Y279 VanDerWaalsContact C-N 3.32Å; F277-Y279 PolarHBondContact O-N 3.44Å; F277-K280 PolarHBondContact O-N 3.44Å; F277-T281 WeakPolarHBondContact O-CB 3.24Å; F277-T281 PolarHBondContact O-N 2.98Å; F277-T281 PolarHBondContact O-OG1 3.09Å |
| 278 | N | 55.6 | Low | 52.2 | Low | 87 Ų | 87 | 127.9 Ų | 127.9 | 47% | 0.465 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.5 | -38.2 | 177.4 | -79.7 | -25.7 | 0 | 0 | 0 | 111.6 | E274 M275 K280 T281 E282 | E274-N278 PolarHBondContact O-N 3.37Å; M275-N278 PolarHBondContact O-N 2.94Å; N278-K280 PolarHBondContact O-N 3.11Å; N278-T281 PolarHBondContact O-N 3.17Å; N278-E282 WeakPolarHBondContact O-CB 3.4Å; N278-E282 PolarHBondContact O-N 3.41Å |
| 279 | Y | 54.8 | Low | 51 | Low | 193 Ų | 193 | 127.1 Ų | 127.1 | 76% | 0.757 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.8 | -41.2 | 176.5 | -170.8 | -98.2 | 0 | 0 | 0 | 112.5 | M275 F277 G283 | M275-Y279 PolarHBondContact O-N 3.05Å; M275-Y279 VanDerWaalsContact O-N 3.12Å; F277-Y279 VanDerWaalsContact C-N 3.32Å; F277-Y279 PolarHBondContact O-N 3.44Å; Y279-G283 PolarHBondContact O-N 2.88Å |
| 280 | K | 54.8 | Low | 50.1 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 60% | 0.6 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -75.4 | -35.1 | 178.6 | -74.7 | 178.1 | -179.3 | 172.2 | 0 | 113.3 | D276 F277 N278 | D276-K280 PolarHBondContact O-N 3.01Å; F277-K280 PolarHBondContact O-N 3.44Å; N278-K280 PolarHBondContact O-N 3.11Å |
| 281 | T | 51.5 | Low | 49 | Very low | 74 Ų | 74 | 125.6 Ų | 125.6 | 45% | 0.454 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77 | -39.2 | -178.2 | -55 | 0 | 0 | 0 | 0 | 112.3 | F277 N278 G283 | F277-T281 WeakPolarHBondContact O-CB 3.24Å; F277-T281 PolarHBondContact O-N 2.98Å; F277-T281 PolarHBondContact O-OG1 3.09Å; N278-T281 PolarHBondContact O-N 3.17Å; T281-G283 VanDerWaalsContact C-N 3.32Å; T281-G283 PolarHBondContact O-N 3.46Å |
| 282 | E | 49.4 | Very low | 47.9 | Very low | 115 Ų | 115 | 128.4 Ų | 128.4 | 54% | 0.537 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -73 | -23.4 | 176.9 | -70.8 | -161.6 | 174 | 0 | 0 | 113.3 | N278 F284 R286 | N278-E282 WeakPolarHBondContact O-CB 3.4Å; N278-E282 PolarHBondContact O-N 3.41Å; E282-F284 VanDerWaalsContact C-N 3.29Å; E282-F284 PolarHBondContact O-N 2.98Å; E282-R286 IonicContact OE2-NH1 3.93Å |
| 283 | G | 47.4 | Very low | 46.9 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -65.8 | -26 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y279 T281 | Y279-G283 PolarHBondContact O-N 2.88Å; T281-G283 VanDerWaalsContact C-N 3.32Å; T281-G283 PolarHBondContact O-N 3.46Å |
| 284 | F | 47 | Very low | 45.9 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 77% | 0.768 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -91.4 | -22.5 | -177.2 | -99.3 | -93.6 | 0 | 0 | 0 | 114.4 | E282 | E282-F284 VanDerWaalsContact C-N 3.29Å; E282-F284 PolarHBondContact O-N 2.98Å |
| 285 | N | 44.5 | Very low | 44.9 | Very low | 148 Ų | 148 | 138 Ų | 138 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -110 | 6.2 | -167.5 | -133.3 | -10.2 | 0 | 0 | 0 | 115.1 | ||
| 286 | R | 42.4 | Very low | 44.1 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 73% | 0.725 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.4 | 3.5 | -173.3 | -136.1 | 171 | 166.1 | 155.9 | -3.6 | 115.7 | E282 | E282-R286 IonicContact OE2-NH1 3.93Š|
| 287 | N | 38.9 | Very low | 43.3 | Very low | 156 Ų | 156 | 140.9 Ų | 140.9 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -107.1 | 56.1 | 174.4 | -80.4 | -9.9 | 0 | 0 | 0 | 112.4 | ||
| 288 | R | 38.2 | Very low | 42.6 | Very low | 232 Ų | 232 | 143 Ų | 143 | 88% | 0.875 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -168 | 136.7 | 155.1 | -113.5 | 175.1 | -90.3 | -168.4 | -2.1 | 107.4 | ||
| 289 | C | 29.5 | Very low | 41.9 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 91% | 0.912 | 75% | 0.748 | S | S | * | * | trans | 88.4 | 59.6 | -179.3 | -52.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 290 | S | 39.1 | Very low | 41 | Very low | 121 Ų | 121 | 142 Ų | 142 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -108.3 | 122.3 | 142.3 | 62.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 291 | G | 35.9 | Very low | 40.4 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 159.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 292 | F | 34.6 | Very low | 40 | Very low | 212 Ų | 212 | 144.7 Ų | 144.7 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | -174.3 | 143.5 | 135.4 | -99.1 | -74.1 | 0 | 0 | 0 | 107.4 | ||||
| 293 | P | 33.5 | Very low | 39.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | trans | -100.4 | 157 | -165.5 | 41 | -34 | 0 | 0 | 0 | 113.3 | ||||
| 294 | I | 36.5 | Very low | 38.7 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | 70.6 | 102.1 | 160.8 | -41.2 | -168.3 | 0 | 0 | 0 | 117.7 | ||||
| 295 | H | 39.5 | Very low | 38.7 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -160.8 | 139.9 | 119.6 | -130.7 | -94.6 | 0 | 0 | 0 | 112.7 | |||||
| 296 | Y | 40.7 | Very low | 38.7 | Very low | 206 Ų | 206 | 142.9 Ų | 142.9 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -60.9 | 128.4 | -177 | -71.8 | -101.1 | 0 | 0 | 0 | 113.5 | ||||
| 297 | A | 40.5 | Very low | 38.6 | Very low | 97 Ų | 97 | 141.9 Ų | 141.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -159.3 | 115.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 298 | I | 41.3 | Very low | 38.6 | Very low | 165 Ų | 165 | 145 Ų | 145 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 153.2 | 175.3 | -81.2 | 175.4 | 0 | 0 | 0 | 109.6 | ||||
| 299 | P | 39.2 | Very low | 39.1 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 78% | 0.782 | S | S | * | * | trans | -101.2 | 173.1 | -141.2 | 39.1 | -32.2 | 0 | 0 | 0 | 113.3 | ||||
| 300 | N | 37.5 | Very low | 40.2 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | trans | 174.5 | 112.8 | 140.7 | -85.1 | -22.1 | 0 | 0 | 0 | 111.5 | ||||
| 301 | A | 40.6 | Very low | 41 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -172.1 | 94.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 302 | H | 43.5 | Very low | 42.2 | Very low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | 9.1 | 101.7 | 156.3 | -60.5 | -80 | 0 | 0 | 0 | 119.4 | ||||
| 303 | T | 33.2 | Very low | 43.4 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | 10.8 | 107.4 | 125.6 | 17.2 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 304 | S | 37.2 | Very low | 44.6 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -151.5 | 56.4 | 143.3 | 53.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 305 | V | 46.5 | Very low | 46.3 | Very low | 116 Ų | 116 | 126.4 Ų | 126.4 | 70% | 0.703 | 69% | 0.686 | S | S | * | * | trans | -119.3 | -8.6 | -177 | 179.2 | 0 | 0 | 0 | 0 | 112.5 | E307 | V305-E307 PolarHBondContact O-N 3.16Š| ||
| 306 | S | 44.1 | Very low | 47.9 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.3 | -16.2 | -174.2 | -156.6 | 0 | 0 | 0 | 0 | 115 | ||
| 307 | E | 40.3 | Very low | 49.3 | Very low | 170 Ų | 170 | 117 Ų | 117 | 79% | 0.794 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -90.8 | -26.6 | -176.8 | -97.9 | 175.9 | 163.7 | 0 | 0 | 114.5 | V305 T310 | V305-E307 PolarHBondContact O-N 3.16Å; E307-T310 PolarHBondContact O-OG1 2.89Å |
| 308 | R | 39.3 | Very low | 50.6 | Low | 221 Ų | 221 | 119.7 Ų | 119.7 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.9 | -25.1 | 175.3 | -83 | -174 | -169.3 | 170.6 | 4.5 | 113 | T311 | R308-T311 PolarHBondContact O-OG1 2.91Å; R308-T311 VanDerWaalsContact O-OG1 3.05Å |
| 309 | H | 48.4 | Very low | 52 | Low | 132 Ų | 132 | 116.6 Ų | 116.6 | 61% | 0.611 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -79.1 | -30 | -176.4 | -167.8 | -86.3 | 0 | 0 | 0 | 112.3 | M313 | H309-M313 VanDerWaalsContact O-CG 3.27Å; H309-M313 WeakPolarHBondContact O-CG 3.3Å; H309-M313 PolarHBondContact O-N 3.44Å |
| 310 | T | 53.9 | Low | 53.4 | Low | 73 Ų | 73 | 120.1 Ų | 120.1 | 45% | 0.448 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -72 | -41.5 | 177.1 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | E307 D312 M313 D314 | E307-T310 PolarHBondContact O-OG1 2.89Å; T310-D312 PolarHBondContact O-N 3.33Å; T310-M313 PolarHBondContact O-N 2.9Å; T310-D314 PolarHBondContact O-N 3.01Å |
| 311 | T | 55.3 | Low | 55.1 | Low | 82 Ų | 82 | 118.3 Ų | 118.3 | 50% | 0.503 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65 | -37.2 | 178.8 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | R308 T315 | R308-T311 PolarHBondContact O-OG1 2.91Å; R308-T311 VanDerWaalsContact O-OG1 3.05Å; T311-T315 VanDerWaalsContact O-CG2 3.28Å; T311-T315 WeakPolarHBondContact O-CG2 3.46Å; T311-T315 PolarHBondContact O-N 2.87Å; T311-T315 PolarHBondContact O-OG1 3.22Å |
| 312 | D | 60.3 | Low | 56.6 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 42% | 0.417 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.6 | -41.3 | 179.1 | -139.3 | 14 | 0 | 0 | 0 | 110.3 | T310 T315 L316 | T310-D312 PolarHBondContact O-N 3.33Å; D312-T315 PolarHBondContact O-N 3.38Å; D312-T315 PolarHBondContact O-OG1 2.99Å; D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.39Å; D312-L316 PolarHBondContact O-N 3.4Å |
| 313 | M | 59.4 | Low | 58 | Low | 90 Ų | 90 | 113.3 Ų | 113.3 | 44% | 0.443 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.8 | -42.8 | 176.6 | -71.2 | -62.2 | -66.2 | 0 | 0 | 112.9 | H309 T310 T315 L316 I317 | H309-M313 VanDerWaalsContact O-CG 3.27Å; H309-M313 WeakPolarHBondContact O-CG 3.3Å; H309-M313 PolarHBondContact O-N 3.44Å; T310-M313 PolarHBondContact O-N 2.9Å; M313-T315 VanDerWaalsContact C-N 3.35Å; M313-T315 PolarHBondContact O-N 3.46Å; M313-L316 PolarHBondContact O-N 3.13Å; M313-L316 HydrophobicContact SD-CD1 4.41Å; M313-I317 WeakPolarHBondContact O-CG1 3.45Å; M313-I317 PolarHBondContact O-N 3.2Å |
| 314 | D | 59.8 | Low | 59.8 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 48% | 0.481 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.5 | -45.5 | 177 | -70.2 | -23.1 | 0 | 0 | 0 | 110.6 | T310 L316 I317 Y318 | T310-D314 PolarHBondContact O-N 3.01Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 3.09Å; D314-I317 PolarHBondContact O-N 2.89Å; D314-I317 VanDerWaalsContact O-N 3.17Å; D314-Y318 HydrophobicContact CB-CE2 4.44Å; D314-Y318 WeakPolarHBondContact O-CD2 3.19Å; D314-Y318 PolarHBondContact O-N 3.43Å |
| 315 | T | 73.1 | Confident | 61.6 | Low | 80 Ų | 80 | 107.7 Ų | 107.7 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 177.6 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | T311 D312 M313 Q319 | T311-T315 VanDerWaalsContact O-CG2 3.28Å; T311-T315 WeakPolarHBondContact O-CG2 3.46Å; T311-T315 PolarHBondContact O-N 2.87Å; T311-T315 PolarHBondContact O-OG1 3.22Å; D312-T315 PolarHBondContact O-N 3.38Å; D312-T315 PolarHBondContact O-OG1 2.99Å; M313-T315 VanDerWaalsContact C-N 3.35Å; M313-T315 PolarHBondContact O-N 3.46Å; T315-Q319 WeakPolarHBondContact O-CB 3.44Å; T315-Q319 PolarHBondContact O-N 3.4Å |
| 316 | L | 71.9 | Confident | 63 | Low | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 175.4 | -71.7 | 170.8 | 0 | 0 | 0 | 112.4 | D312 M313 D314 Q319 R320 | D312-L316 VanDerWaalsContact O-CG 3.29Å; D312-L316 WeakPolarHBondContact O-CG 3.39Å; D312-L316 PolarHBondContact O-N 3.4Å; M313-L316 PolarHBondContact O-N 3.13Å; M313-L316 HydrophobicContact SD-CD1 4.41Å; D314-L316 VanDerWaalsContact C-N 3.3Å; D314-L316 PolarHBondContact O-N 3.09Å; L316-Q319 PolarHBondContact O-N 3.36Å; L316-R320 WeakPolarHBondContact O-CB 3.3Å; L316-R320 PolarHBondContact O-N 2.95Å |
| 317 | I | 69.6 | Low | 64.5 | Low | 98 Ų | 98 | 103.1 Ų | 103.1 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 175.7 | -68.3 | 167 | 0 | 0 | 0 | 110.5 | M313 D314 R320 Q321 | M313-I317 WeakPolarHBondContact O-CG1 3.45Å; M313-I317 PolarHBondContact O-N 3.2Å; D314-I317 PolarHBondContact O-N 2.89Å; D314-I317 VanDerWaalsContact O-N 3.17Å; I317-R320 WeakPolarHBondContact O-CB 3.34Å; I317-R320 PolarHBondContact O-N 3.24Å; I317-Q321 PolarHBondContact O-N 2.77Å |
| 318 | Y | 68.4 | Low | 66.2 | Low | 153 Ų | 153 | 98.7 Ų | 98.7 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.7 | -46.8 | 174.5 | -75.5 | -68.2 | 0 | 0 | 0 | 111.7 | D314 R320 Q321 D322 | D314-Y318 HydrophobicContact CB-CE2 4.44Å; D314-Y318 WeakPolarHBondContact O-CD2 3.19Å; D314-Y318 PolarHBondContact O-N 3.43Å; Y318-R320 VanDerWaalsContact C-N 3.29Å; Y318-R320 PolarHBondContact O-N 3.48Å; Y318-Q321 WeakPolarHBondContact O-CB 3.22Å; Y318-Q321 PolarHBondContact O-N 2.9Å; Y318-Q321 VanDerWaalsContact O-N 3.09Å; Y318-D322 PolarHBondContact O-N 3.11Å |
| 319 | Q | 71.7 | Confident | 68.2 | Low | 101 Ų | 101 | 89.3 Ų | 89.3 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 177.9 | -168.3 | -175.6 | -53.7 | 0 | 0 | 112.3 | T315 L316 T323 | T315-Q319 WeakPolarHBondContact O-CB 3.44Å; T315-Q319 PolarHBondContact O-N 3.4Å; L316-Q319 PolarHBondContact O-N 3.36Å; Q319-T323 PolarHBondContact O-N 2.65Å; Q319-T323 VanDerWaalsContact O-N 3.11Å; Q319-T323 PolarHBondContact O-OG1 3.41Å |
| 320 | R | 68.7 | Low | 69.6 | Low | 172 Ų | 172 | 85 Ų | 85 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 174.1 | -175.5 | 178.1 | -177.5 | 172.1 | -0.2 | 111.2 | L316 I317 Y318 A324 | L316-R320 WeakPolarHBondContact O-CB 3.3Å; L316-R320 PolarHBondContact O-N 2.95Å; I317-R320 WeakPolarHBondContact O-CB 3.34Å; I317-R320 PolarHBondContact O-N 3.24Å; Y318-R320 VanDerWaalsContact C-N 3.29Å; Y318-R320 PolarHBondContact O-N 3.48Å; R320-A324 VanDerWaalsContact O-CB 3.31Å; R320-A324 WeakPolarHBondContact O-CB 3.23Å; R320-A324 PolarHBondContact O-N 2.59Å |
| 321 | Q | 71.7 | Confident | 70.9 | Confident | 123 Ų | 123 | 86.2 Ų | 86.2 | 58% | 0.575 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 179.2 | -172.6 | 171.6 | -0.7 | 0 | 0 | 111.9 | I317 Y318 A324 L325 | I317-Q321 PolarHBondContact O-N 2.77Å; Y318-Q321 WeakPolarHBondContact O-CB 3.22Å; Y318-Q321 PolarHBondContact O-N 2.9Å; Y318-Q321 VanDerWaalsContact O-N 3.09Å; Q321-A324 PolarHBondContact O-N 2.68Å; Q321-L325 WeakPolarHBondContact O-CB 3.32Å; Q321-L325 PolarHBondContact O-N 3.36Å |
| 322 | D | 72.2 | Confident | 72.2 | Confident | 86 Ų | 86 | 87.2 Ų | 87.2 | 46% | 0.46 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66 | -42.6 | 178.8 | -70.7 | -22.9 | 0 | 0 | 0 | 112.1 | Y318 A324 L325 Q326 | Y318-D322 PolarHBondContact O-N 3.11Å; D322-A324 VanDerWaalsContact C-N 3.35Å; D322-A324 PolarHBondContact O-N 2.99Å; D322-L325 PolarHBondContact O-N 3.49Å; D322-Q326 WeakPolarHBondContact O-CB 3Å; D322-Q326 PolarHBondContact O-N 2.83Å |
| 323 | T | 72.6 | Confident | 73.4 | Confident | 77 Ų | 77 | 84.6 Ų | 84.6 | 47% | 0.472 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 178 | -45.4 | 0 | 0 | 0 | 0 | 111 | Q319 Q326 A327 | Q319-T323 PolarHBondContact O-N 2.65Å; Q319-T323 VanDerWaalsContact O-N 3.11Å; Q319-T323 PolarHBondContact O-OG1 3.41Å; T323-Q326 PolarHBondContact O-N 2.86Å; T323-A327 PolarHBondContact O-N 3.16Å |
| 324 | A | 72.2 | Confident | 74.6 | Confident | 48 Ų | 48 | 80.7 Ų | 80.7 | 40% | 0.397 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | R320 Q321 D322 Q326 A327 I328 | R320-A324 VanDerWaalsContact O-CB 3.31Å; R320-A324 WeakPolarHBondContact O-CB 3.23Å; R320-A324 PolarHBondContact O-N 2.59Å; Q321-A324 PolarHBondContact O-N 2.68Å; D322-A324 VanDerWaalsContact C-N 3.35Å; D322-A324 PolarHBondContact O-N 2.99Å; A324-Q326 VanDerWaalsContact C-N 3.33Å; A324-Q326 PolarHBondContact O-N 3.17Å; A324-A327 PolarHBondContact O-N 2.92Å; A324-I328 WeakPolarHBondContact O-CD1 3.35Å; A324-I328 VanDerWaalsContact O-CG1 3.25Å; A324-I328 WeakPolarHBondContact O-CG1 3.43Å; A324-I328 PolarHBondContact O-N 3.45Å |
| 325 | L | 75 | Confident | 75.8 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 175.9 | -170.2 | 97.6 | 0 | 0 | 0 | 111 | Q321 D322 I328 Y329 Y430 L434 | Q321-L325 WeakPolarHBondContact O-CB 3.32Å; Q321-L325 PolarHBondContact O-N 3.36Å; D322-L325 PolarHBondContact O-N 3.49Å; L325-I328 PolarHBondContact O-N 3.16Å; L325-Y329 WeakPolarHBondContact O-CB 3.29Å; L325-Y329 PolarHBondContact O-N 2.92Å; L325-Y430 VanDerWaalsContact CD2-OH 3.22Å; L325-Y430 WeakPolarHBondContact CD2-OH 3.48Å; L325-L434 HydrophobicContact CD2-CD2 4.27Å |
| 326 | Q | 76 | Confident | 76.5 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 29% | 0.285 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 178.6 | -173.4 | 60.3 | 28.2 | 0 | 0 | 112 | D322 T323 A324 I328 Y329 D330 | D322-Q326 WeakPolarHBondContact O-CB 3Å; D322-Q326 PolarHBondContact O-N 2.83Å; T323-Q326 PolarHBondContact O-N 2.86Å; A324-Q326 VanDerWaalsContact C-N 3.33Å; A324-Q326 PolarHBondContact O-N 3.17Å; Q326-I328 VanDerWaalsContact C-N 3.35Å; Q326-I328 PolarHBondContact O-N 3.37Å; Q326-Y329 WeakPolarHBondContact O-CB 3.12Å; Q326-Y329 PolarHBondContact O-N 3.1Å; Q326-D330 PolarHBondContact NE2-OD1 2.82Å; Q326-D330 PolarHBondContact NE2-OD2 3.27Å; Q326-D330 PolarHBondContact O-N 3.15Å |
| 327 | A | 75 | Confident | 77.3 | Confident | 56 Ų | 56 | 73.2 Ų | 73.2 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T323 A324 Y329 R331 | T323-A327 PolarHBondContact O-N 3.16Å; A324-A327 PolarHBondContact O-N 2.92Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; A327-R331 WeakPolarHBondContact O-CB 3.38Å; A327-R331 PolarHBondContact O-N 3.06Å; A327-R331 VanDerWaalsContact O-N 3.15Å |
| 328 | I | 76 | Confident | 78.3 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 40% | 0.395 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 174.9 | -68.4 | 164.8 | 0 | 0 | 0 | 110.6 | L13 A324 L325 Q326 Y332 | L13-I328 HydrophobicContact CD1-CD1 4.27Å; A324-I328 WeakPolarHBondContact O-CD1 3.35Å; A324-I328 VanDerWaalsContact O-CG1 3.25Å; A324-I328 WeakPolarHBondContact O-CG1 3.43Å; A324-I328 PolarHBondContact O-N 3.45Å; L325-I328 PolarHBondContact O-N 3.16Å; Q326-I328 VanDerWaalsContact C-N 3.35Å; Q326-I328 PolarHBondContact O-N 3.37Å; I328-Y332 WeakPolarHBondContact O-CB 3.32Å; I328-Y332 PolarHBondContact O-N 3.41Å |
| 329 | Y | 80.7 | Confident | 79.4 | Confident | 25 Ų | 25 | 61.6 Ų | 61.6 | 10% | 0.098 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -50.8 | 178.4 | 169 | -94.3 | 0 | 0 | 0 | 112.2 | L325 Q326 A327 R331 Y332 Y333 R427 Y430 | L325-Y329 WeakPolarHBondContact O-CB 3.29Å; L325-Y329 PolarHBondContact O-N 2.92Å; Q326-Y329 WeakPolarHBondContact O-CB 3.12Å; Q326-Y329 PolarHBondContact O-N 3.1Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; Y329-R331 VanDerWaalsContact C-N 3.34Å; Y329-R331 PolarHBondContact O-N 2.97Å; Y329-Y332 WeakPolarHBondContact O-CB 3.04Å; Y329-Y332 PolarHBondContact O-N 2.76Å; Y329-Y332 VanDerWaalsContact O-N 3.12Å; Y329-Y333 PolarHBondContact O-N 3.22Å; Y329-R427 WeakPolarHBondContact OH-CA 3.22Å; Y329-R427 WeakPolarHBondContact OH-CB 3.34Å; Y329-R427 VanDerWaalsContact OH-CG 3.25Å; Y329-R427 WeakPolarHBondContact OH-CG 3.49Å; Y329-Y430 AromaticContact CD1-CD1 3.82Å; Y329-Y430 HydrophobicContact CD1-CD1 3.82Å; Y329-Y430 AromaticContact CD1-CE1 3.47Å; Y329-Y430 HydrophobicContact CD1-CE1 3.47Å; Y329-Y430 VanDerWaalsContact CD1-CE1 3.47Å; Y329-Y430 AromaticContact CD2-CD1 3.55Å; Y329-Y430 HydrophobicContact CD2-CD1 3.55Å; Y329-Y430 HydrophobicContact CD2-CD2 4.09Å; Y329-Y430 AromaticContact CD2-CE1 3.4Å; Y329-Y430 HydrophobicContact CD2-CE1 3.4Å; Y329-Y430 AromaticContact CD2-CE2 3.98Å; Y329-Y430 HydrophobicContact CD2-CE2 3.98Å; Y329-Y430 AromaticContact CD2-CG 3.88Å; Y329-Y430 HydrophobicContact CD2-CG 3.88Å; Y329-Y430 AromaticContact CD2-CZ 3.64Å; Y329-Y430 AromaticContact CE1-CD1 3.64Å; Y329-Y430 HydrophobicContact CE1-CD1 3.64Å; Y329-Y430 AromaticContact CE1-CE1 3.81Å; Y329-Y430 HydrophobicContact CE1-CE1 3.81Å; Y329-Y430 AromaticContact CE2-CD1 3.35Å; Y329-Y430 HydrophobicContact CE2-CD1 3.35Å; Y329-Y430 HydrophobicContact CE2-CD2 4.11Å; Y329-Y430 AromaticContact CE2-CE1 3.74Å; Y329-Y430 HydrophobicContact CE2-CE1 3.74Å; Y329-Y430 HydrophobicContact CE2-CE2 4.46Å; Y329-Y430 AromaticContact CE2-CG 3.54Å; Y329-Y430 HydrophobicContact CE2-CG 3.54Å; Y329-Y430 AromaticContact CG-CD1 3.78Å; Y329-Y430 HydrophobicContact CG-CD1 3.78Å; Y329-Y430 AromaticContact CG-CE1 3.26Å; Y329-Y430 HydrophobicContact CG-CE1 3.26Å; Y329-Y430 HydrophobicContact CG-CE2 4.45Å; Y329-Y430 AromaticContact CG-CZ 3.66Å; Y329-Y430 AromaticContact CZ-CD1 3.41Å; Y329-Y430 VanDerWaalsContact CZ-CD1 3.41Å; Y329-Y430 AromaticContact CZ-CE1 3.95Å; Y329-Y430 AromaticContact CZ-CG 3.95Å |
| 330 | D | 79.4 | Confident | 80.3 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.4 | -47.1 | -178.1 | -76.1 | -35.8 | 0 | 0 | 0 | 110.3 | Q326 Y332 Y333 A334 | Q326-D330 PolarHBondContact NE2-OD1 2.82Å; Q326-D330 PolarHBondContact NE2-OD2 3.27Å; Q326-D330 PolarHBondContact O-N 3.15Å; D330-Y332 VanDerWaalsContact C-N 3.32Å; D330-Y332 PolarHBondContact O-N 3.29Å; D330-Y333 WeakPolarHBondContact O-CA 3.33Å; D330-Y333 WeakPolarHBondContact O-CB 3.33Å; D330-Y333 PolarHBondContact O-N 2.9Å; D330-Y333 VanDerWaalsContact O-N 3.07Å; D330-A334 PolarHBondContact O-N 2.93Å |
| 331 | R | 80.9 | Confident | 81.4 | Confident | 100 Ų | 100 | 51.1 Ų | 51.1 | 38% | 0.377 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 174.3 | -177.6 | -178.9 | 178.2 | -180 | 6.1 | 112.9 | A327 Y329 Y333 A334 D335 | A327-R331 WeakPolarHBondContact O-CB 3.38Å; A327-R331 PolarHBondContact O-N 3.06Å; A327-R331 VanDerWaalsContact O-N 3.15Å; Y329-R331 VanDerWaalsContact C-N 3.34Å; Y329-R331 PolarHBondContact O-N 2.97Å; R331-Y333 VanDerWaalsContact C-N 3.33Å; R331-A334 PolarHBondContact O-N 3.11Å; R331-D335 WeakPolarHBondContact O-CB 3.36Å; R331-D335 PolarHBondContact O-N 3.22Å |
| 332 | Y | 82.4 | Confident | 82.5 | Confident | 102 Ų | 102 | 45.2 Ų | 45.2 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 177.5 | -178.9 | -101.5 | 0 | 0 | 0 | 111.2 | I328 Y329 D330 D335 L336 | I328-Y332 WeakPolarHBondContact O-CB 3.32Å; I328-Y332 PolarHBondContact O-N 3.41Å; Y329-Y332 WeakPolarHBondContact O-CB 3.04Å; Y329-Y332 PolarHBondContact O-N 2.76Å; Y329-Y332 VanDerWaalsContact O-N 3.12Å; D330-Y332 VanDerWaalsContact C-N 3.32Å; D330-Y332 PolarHBondContact O-N 3.29Å; Y332-D335 PolarHBondContact O-N 2.84Å; Y332-L336 HydrophobicContact CD1-CD1 3.8Å; Y332-L336 HydrophobicContact CD1-CG 4.29Å; Y332-L336 HydrophobicContact CE1-CD1 3.33Å; Y332-L336 HydrophobicContact CE1-CD2 4.5Å; Y332-L336 HydrophobicContact CE1-CG 3.95Å; Y332-L336 WeakPolarHBondContact O-CG 3.5Å; Y332-L336 PolarHBondContact O-N 3.44Å |
| 333 | Y | 84.2 | Confident | 83.6 | Confident | 24 Ų | 24 | 42 Ų | 42 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 176.1 | -173.9 | -91.2 | 0 | 0 | 0 | 112 | Y329 D330 R331 L336 F337 I423 F424 R427 | Y329-Y333 PolarHBondContact O-N 3.22Å; D330-Y333 WeakPolarHBondContact O-CA 3.33Å; D330-Y333 WeakPolarHBondContact O-CB 3.33Å; D330-Y333 PolarHBondContact O-N 2.9Å; D330-Y333 VanDerWaalsContact O-N 3.07Å; R331-Y333 VanDerWaalsContact C-N 3.33Å; Y333-L336 PolarHBondContact O-N 3.45Å; Y333-F337 WeakPolarHBondContact O-CB 3.38Å; Y333-F337 PolarHBondContact O-N 3.39Å; Y333-I423 HydrophobicContact CD2-CG2 3.98Å; Y333-I423 HydrophobicContact CE2-CG2 3.28Å; Y333-F424 WeakPolarHBondContact OH-CD1 3.35Å; Y333-F424 WeakPolarHBondContact OH-CE1 3.42Å; Y333-R427 HydrophobicContact CD2-CB 4.11Å; Y333-R427 HydrophobicContact CE2-CB 3.59Å; Y333-R427 HydrophobicContact CE2-CG 4.19Å |
| 334 | A | 85.5 | Confident | 84.7 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W262 E266 D330 R331 L336 F337 A338 | W262-A334 HydrophobicContact CB-CB 4.47Å; E266-A334 VanDerWaalsContact CD-CB 3.46Å; E266-A334 WeakPolarHBondContact OE1-CB 3.29Å; E266-A334 VanDerWaalsContact OE2-CB 3.3Å; E266-A334 WeakPolarHBondContact OE2-CB 3.24Å; D330-A334 PolarHBondContact O-N 2.93Å; R331-A334 PolarHBondContact O-N 3.11Å; A334-L336 PolarHBondContact O-N 3.02Å; A334-F337 PolarHBondContact O-N 2.9Å; A334-A338 WeakPolarHBondContact O-CB 3.5Å; A334-A338 PolarHBondContact O-N 3.37Å |
| 335 | D | 85.7 | Confident | 85.9 | Confident | 27 Ų | 27 | 42.6 Ų | 42.6 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.2 | -84.7 | -23.2 | 0 | 0 | 0 | 111.8 | R5 L259 R331 Y332 G339 | R5-D335 IonicContact CZ-OD1 2.68Å; R5-D335 IonicContact CZ-OD2 3.66Å; R5-D335 IonicContact NH1-OD1 2.74Å; R5-D335 PolarHBondContact NH1-OD1 3Å; R5-D335 IonicContact NH1-OD2 3.42Å; R5-D335 PolarHBondContact NH1-OD2 3.4Å; L259-D335 WeakPolarHBondContact CD2-OD1 3.36Å; R331-D335 WeakPolarHBondContact O-CB 3.36Å; R331-D335 PolarHBondContact O-N 3.22Å; Y332-D335 PolarHBondContact O-N 2.84Å; D335-G339 PolarHBondContact O-N 3.45Å |
| 336 | L | 86.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 38.6 Ų | 38.6 | 20% | 0.204 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 176.6 | -77.4 | 177.9 | 0 | 0 | 0 | 111.7 | Y2 Y332 Y333 A334 G339 M340 | Y2-L336 HydrophobicContact CD1-CD2 4.37Å; Y2-L336 HydrophobicContact CE1-CD2 3.77Å; Y332-L336 HydrophobicContact CD1-CD1 3.8Å; Y332-L336 HydrophobicContact CD1-CG 4.29Å; Y332-L336 HydrophobicContact CE1-CD1 3.33Å; Y332-L336 HydrophobicContact CE1-CD2 4.5Å; Y332-L336 HydrophobicContact CE1-CG 3.95Å; Y332-L336 WeakPolarHBondContact O-CG 3.5Å; Y332-L336 PolarHBondContact O-N 3.44Å; Y333-L336 PolarHBondContact O-N 3.45Å; A334-L336 PolarHBondContact O-N 3.02Å; L336-G339 PolarHBondContact O-N 3.15Å; L336-M340 WeakPolarHBondContact O-CB 3.29Å; L336-M340 PolarHBondContact O-N 3.39Å |
| 337 | F | 88.9 | Confident | 87.9 | Confident | 37 Ų | 37 | 36.6 Ų | 36.6 | 16% | 0.162 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.6 | -38.8 | -178.5 | -162.3 | -85.5 | 0 | 0 | 0 | 111.6 | W262 Y333 A334 G339 M340 T341 F424 | W262-F337 AromaticContact CD1-CD1 3.87Å; W262-F337 HydrophobicContact CD2-CD1 4.03Å; W262-F337 HydrophobicContact CD2-CE1 4.4Å; W262-F337 AromaticContact CE2-CD1 3.4Å; W262-F337 AromaticContact CE2-CE1 3.43Å; W262-F337 VanDerWaalsContact CE2-CE1 3.43Å; W262-F337 HydrophobicContact CG-CD1 4.33Å; W262-F337 HydrophobicContact CH2-CE1 4.09Å; W262-F337 AromaticContact CZ2-CD1 3.75Å; W262-F337 HydrophobicContact CZ2-CD1 3.75Å; W262-F337 AromaticContact CZ2-CE1 3.27Å; W262-F337 HydrophobicContact CZ2-CE1 3.27Å; W262-F337 HydrophobicContact CZ2-CZ 4.24Å; W262-F337 AromaticContact NE1-CD1 3.29Å; W262-F337 VanDerWaalsContact NE1-CD1 3.29Å; W262-F337 AromaticContact NE1-CE1 3.57Å; Y333-F337 WeakPolarHBondContact O-CB 3.38Å; Y333-F337 PolarHBondContact O-N 3.39Å; A334-F337 PolarHBondContact O-N 2.9Å; F337-G339 VanDerWaalsContact C-N 3.34Å; F337-M340 HydrophobicContact CD2-CE 3.64Å; F337-M340 HydrophobicContact CE2-CE 3.53Å; F337-M340 HydrophobicContact CG-CE 4.35Å; F337-M340 HydrophobicContact CZ-CE 4.15Å; F337-M340 PolarHBondContact O-N 2.98Å; F337-T341 HydrophobicContact CD1-CG2 3.8Å; F337-T341 HydrophobicContact CE1-CG2 3.47Å; F337-T341 VanDerWaalsContact CE1-CG2 3.47Å; F337-T341 HydrophobicContact CZ-CG2 4.23Å; F337-T341 WeakPolarHBondContact O-CB 3.35Å; F337-T341 WeakPolarHBondContact O-CG2 3.13Å; F337-T341 PolarHBondContact O-N 2.82Å; F337-T341 PolarHBondContact O-OG1 3.47Å; F337-F424 HydrophobicContact CE2-CE2 4.33Å; F337-F424 HydrophobicContact CE2-CZ 4.08Å |
| 338 | A | 90.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A258 L259 A334 T341 A342 | A258-A338 HydrophobicContact CB-CB 3.9Å; L259-A338 HydrophobicContact CD2-CB 3.52Å; L259-A338 HydrophobicContact CG-CB 3.75Å; A334-A338 WeakPolarHBondContact O-CB 3.5Å; A334-A338 PolarHBondContact O-N 3.37Å; A338-T341 WeakPolarHBondContact CA-OG1 3.42Å; A338-T341 PolarHBondContact O-OG1 3.28Å; A338-A342 WeakPolarHBondContact O-CB 3.39Å; A338-A342 PolarHBondContact O-N 2.93Å |
| 339 | G | 90.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 6% | 0.062 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D335 L336 F337 A342 N343 | D335-G339 PolarHBondContact O-N 3.45Å; L336-G339 PolarHBondContact O-N 3.15Å; F337-G339 VanDerWaalsContact C-N 3.34Å; G339-A342 PolarHBondContact O-N 3.26Å; G339-N343 PolarHBondContact O-N 3.15Å; G339-N343 PolarHBondContact O-ND2 3.46Å |
| 340 | M | 91 | Very high | 90.7 | Very high | 18 Ų | 18 | 36.2 Ų | 36.2 | 9% | 0.089 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -48 | 177.6 | -177.4 | -178.4 | 66.3 | 0 | 0 | 111.7 | L336 F337 A342 N343 F344 Y416 Q419 A420 I423 | L336-M340 WeakPolarHBondContact O-CB 3.29Å; L336-M340 PolarHBondContact O-N 3.39Å; F337-M340 HydrophobicContact CD2-CE 3.64Å; F337-M340 HydrophobicContact CE2-CE 3.53Å; F337-M340 HydrophobicContact CG-CE 4.35Å; F337-M340 HydrophobicContact CZ-CE 4.15Å; F337-M340 PolarHBondContact O-N 2.98Å; M340-A342 VanDerWaalsContact C-N 3.32Å; M340-A342 PolarHBondContact O-N 2.95Å; M340-N343 PolarHBondContact O-N 2.75Å; M340-F344 PolarHBondContact O-N 3.25Å; M340-Y416 HydrophobicContact CG-CD1 3.83Å; M340-Y416 HydrophobicContact CG-CE1 4.15Å; M340-Q419 HydrophobicContact SD-CB 3.99Å; M340-A420 HydrophobicContact CE-CB 3.76Å; M340-A420 HydrophobicContact SD-CB 4.05Å; M340-I423 HydrophobicContact CB-CD1 4.47Å; M340-I423 HydrophobicContact CE-CD1 4.34Å; M340-I423 HydrophobicContact SD-CD1 3.76Å |
| 341 | T | 93 | Very high | 91.5 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.6 | 48.3 | 0 | 0 | 0 | 0 | 111.8 | A258 F337 A338 F344 V345 | A258-T341 WeakPolarHBondContact CB-OG1 3.25Å; F337-T341 HydrophobicContact CD1-CG2 3.8Å; F337-T341 HydrophobicContact CE1-CG2 3.47Å; F337-T341 VanDerWaalsContact CE1-CG2 3.47Å; F337-T341 HydrophobicContact CZ-CG2 4.23Å; F337-T341 WeakPolarHBondContact O-CB 3.35Å; F337-T341 WeakPolarHBondContact O-CG2 3.13Å; F337-T341 PolarHBondContact O-N 2.82Å; F337-T341 PolarHBondContact O-OG1 3.47Å; A338-T341 WeakPolarHBondContact CA-OG1 3.42Å; A338-T341 PolarHBondContact O-OG1 3.28Å; T341-F344 PolarHBondContact O-N 2.94Å; T341-V345 VanDerWaalsContact O-CG2 3.29Å; T341-V345 WeakPolarHBondContact O-CG2 3.37Å; T341-V345 PolarHBondContact O-N 3.18Å |
| 342 | A | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R251 A254 S255 A338 G339 M340 A346 | R251-A342 HydrophobicContact CG-CB 4.3Å; A254-A342 HydrophobicContact CB-CB 3.91Å; S255-A342 VanDerWaalsContact N-CB 3.31Å; A338-A342 WeakPolarHBondContact O-CB 3.39Å; A338-A342 PolarHBondContact O-N 2.93Å; G339-A342 PolarHBondContact O-N 3.26Å; M340-A342 VanDerWaalsContact C-N 3.32Å; M340-A342 PolarHBondContact O-N 2.95Å; A342-A346 WeakPolarHBondContact O-CB 3.29Å; A342-A346 PolarHBondContact O-N 3.39Å |
| 343 | N | 94.3 | Very high | 92.9 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.1 | -45.4 | 174.4 | -80.5 | -35.8 | 0 | 0 | 0 | 111.4 | R251 G339 M340 V345 A346 D347 Y416 | R251-N343 WeakPolarHBondContact CD-OD1 3.31Å; R251-N343 PolarHBondContact NE-OD1 3.2Å; R251-N343 PolarHBondContact NH1-OD1 3.01Å; G339-N343 PolarHBondContact O-N 3.15Å; G339-N343 PolarHBondContact O-ND2 3.46Å; M340-N343 PolarHBondContact O-N 2.75Å; N343-V345 PolarHBondContact O-N 3.36Å; N343-A346 PolarHBondContact O-N 3.48Å; N343-D347 PolarHBondContact O-N 3.37Å; N343-Y416 HydrophobicContact CB-CE1 4.11Å; N343-Y416 WeakPolarHBondContact CB-OH 3.4Å; N343-Y416 PolarHBondContact O-OH 3.46Å |
| 344 | F | 95.5 | Very high | 93.4 | Very high | 73 Ų | 73 | 27.6 Ų | 27.6 | 32% | 0.32 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -58.6 | -48.1 | 177.5 | 175.7 | -112.3 | 0 | 0 | 0 | 111.7 | M340 T341 A346 D347 V348 L412 Y416 | M340-F344 PolarHBondContact O-N 3.25Å; T341-F344 PolarHBondContact O-N 2.94Å; F344-A346 VanDerWaalsContact C-N 3.31Å; F344-A346 PolarHBondContact O-N 3.47Å; F344-D347 PolarHBondContact O-N 3.45Å; F344-V348 HydrophobicContact CD1-CG2 4.44Å; F344-V348 HydrophobicContact CD2-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 4.08Å; F344-V348 HydrophobicContact CE2-CG2 3.68Å; F344-V348 HydrophobicContact CG-CG2 4.45Å; F344-V348 HydrophobicContact CZ-CG2 3.7Å; F344-V348 VanDerWaalsContact O-CG2 3.27Å; F344-V348 WeakPolarHBondContact O-CG2 3.31Å; F344-V348 PolarHBondContact O-N 2.93Å; F344-L412 HydrophobicContact CE2-CD2 4.45Å; F344-Y416 VanDerWaalsContact CA-CZ 3.46Å; F344-Y416 HydrophobicContact CB-CD1 3.83Å; F344-Y416 HydrophobicContact CB-CD2 4.26Å; F344-Y416 HydrophobicContact CB-CE1 3.72Å; F344-Y416 HydrophobicContact CB-CE2 4.15Å; F344-Y416 HydrophobicContact CB-CG 4.09Å; F344-Y416 HydrophobicContact CD2-CD1 4.34Å; F344-Y416 AromaticContact CD2-CD2 3.44Å; F344-Y416 HydrophobicContact CD2-CD2 3.44Å; F344-Y416 VanDerWaalsContact CD2-CD2 3.44Å; F344-Y416 AromaticContact CD2-CE2 3.83Å; F344-Y416 HydrophobicContact CD2-CE2 3.83Å; F344-Y416 AromaticContact CD2-CG 3.71Å; F344-Y416 HydrophobicContact CD2-CG 3.71Å; F344-Y416 HydrophobicContact CE2-CD2 4.25Å; F344-Y416 HydrophobicContact CG-CD1 4.48Å; F344-Y416 HydrophobicContact CG-CD2 4.3Å; F344-Y416 HydrophobicContact CG-CG 4.27Å; F344-Y416 PolarHBondContact N-OH 3.15Å |
| 345 | V | 96.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 27.2 Ų | 27.2 | 39% | 0.394 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 177.1 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | V250 A254 T341 N343 V348 V349 | V250-V345 HydrophobicContact CG1-CG1 4.47Å; A254-V345 HydrophobicContact CB-CB 4.12Å; A254-V345 HydrophobicContact CB-CG1 4.04Å; T341-V345 VanDerWaalsContact O-CG2 3.29Å; T341-V345 WeakPolarHBondContact O-CG2 3.37Å; T341-V345 PolarHBondContact O-N 3.18Å; N343-V345 PolarHBondContact O-N 3.36Å; V345-V348 PolarHBondContact O-N 3.42Å; V345-V349 HydrophobicContact CG1-CG2 4.3Å; V345-V349 WeakPolarHBondContact O-CB 3.38Å; V345-V349 VanDerWaalsContact O-CG2 3.23Å; V345-V349 WeakPolarHBondContact O-CG2 3.44Å; V345-V349 PolarHBondContact O-N 2.95Å |
| 346 | A | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.4 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V250 R251 A342 N343 F344 V348 V349 L350 | V250-A346 HydrophobicContact CB-CB 4.22Å; V250-A346 HydrophobicContact CG1-CB 4.03Å; R251-A346 HydrophobicContact CB-CB 4.01Å; A342-A346 WeakPolarHBondContact O-CB 3.29Å; A342-A346 PolarHBondContact O-N 3.39Å; N343-A346 PolarHBondContact O-N 3.48Å; F344-A346 VanDerWaalsContact C-N 3.31Å; F344-A346 PolarHBondContact O-N 3.47Å; A346-V348 PolarHBondContact O-N 3.37Å; A346-V349 PolarHBondContact O-N 3.36Å; A346-L350 WeakPolarHBondContact O-CB 3.27Å; A346-L350 PolarHBondContact O-N 2.89Å |
| 347 | D | 96.5 | Very high | 94.8 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.2 | -41.5 | 177.6 | -72.4 | -17.7 | 0 | 0 | 0 | 112.1 | H247 N343 F344 Y351 L412 Y416 | H247-D347 IonicContact CD2-OD1 3.88Å; H247-D347 PolarHBondContact CD2-OD1 3.3Å; H247-D347 IonicContact CE1-OD1 3.55Å; H247-D347 IonicContact NE2-OD1 2.65Å; H247-D347 PolarHBondContact NE2-OD1 3.15Å; N343-D347 PolarHBondContact O-N 3.37Å; F344-D347 PolarHBondContact O-N 3.45Å; D347-Y351 WeakPolarHBondContact O-CA 3.49Å; D347-Y351 VanDerWaalsContact O-CB 3.3Å; D347-Y351 WeakPolarHBondContact O-CB 3.37Å; D347-Y351 PolarHBondContact O-N 3.39Å; D347-L412 HydrophobicContact CB-CD1 3.86Å; D347-L412 HydrophobicContact CB-CD2 4.12Å; D347-Y416 VanDerWaalsContact OD2-CE2 3.3Å; D347-Y416 WeakPolarHBondContact OD2-CE2 3.42Å; D347-Y416 PolarHBondContact OD2-OH 3.36Å |
| 348 | V | 96.8 | Very high | 95.1 | Very high | 44 Ų | 44 | 22.8 Ų | 22.8 | 27% | 0.267 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 179.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | F344 V345 A346 F409 L412 | F344-V348 HydrophobicContact CD1-CG2 4.44Å; F344-V348 HydrophobicContact CD2-CG2 4.06Å; F344-V348 HydrophobicContact CE1-CG2 4.08Å; F344-V348 HydrophobicContact CE2-CG2 3.68Å; F344-V348 HydrophobicContact CG-CG2 4.45Å; F344-V348 HydrophobicContact CZ-CG2 3.7Å; F344-V348 VanDerWaalsContact O-CG2 3.27Å; F344-V348 WeakPolarHBondContact O-CG2 3.31Å; F344-V348 PolarHBondContact O-N 2.93Å; V345-V348 PolarHBondContact O-N 3.42Å; A346-V348 PolarHBondContact O-N 3.37Å; V348-F409 HydrophobicContact CG1-CZ 4.49Å; V348-F409 HydrophobicContact CG2-CE2 4.05Å; V348-F409 HydrophobicContact CG2-CZ 3.96Å; V348-L412 HydrophobicContact CG2-CD2 4.01Å |
| 349 | V | 96.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 23 Ų | 23 | 53% | 0.527 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -67.7 | -37.8 | -178.5 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | V250 V345 A346 | V250-V349 HydrophobicContact CG1-CB 4.42Å; V345-V349 HydrophobicContact CG1-CG2 4.3Å; V345-V349 WeakPolarHBondContact O-CB 3.38Å; V345-V349 VanDerWaalsContact O-CG2 3.23Å; V345-V349 WeakPolarHBondContact O-CG2 3.44Å; V345-V349 PolarHBondContact O-N 2.95Å; A346-V349 PolarHBondContact O-N 3.36Å |
| 350 | L | 96.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -94.3 | 0.5 | -178.2 | -88.7 | 57.8 | 0 | 0 | 0 | 114.4 | L243 G246 H247 V250 A346 P352 V353 E354 | L243-L350 HydrophobicContact CD1-CB 4.17Å; L243-L350 HydrophobicContact CD1-CD2 4.31Å; L243-L350 WeakPolarHBondContact O-CD2 3.41Å; G246-L350 VanDerWaalsContact C-CD2 3.47Å; H247-L350 VanDerWaalsContact CA-CD2 3.43Å; H247-L350 HydrophobicContact CB-CD2 3.75Å; V250-L350 HydrophobicContact CG2-CD1 3.95Å; A346-L350 WeakPolarHBondContact O-CB 3.27Å; A346-L350 PolarHBondContact O-N 2.89Å; L350-P352 VanDerWaalsContact C-CD 3.43Å; L350-P352 VanDerWaalsContact C-N 3.33Å; L350-V353 WeakPolarHBondContact O-CB 3.31Å; L350-V353 PolarHBondContact O-N 2.85Å; L350-E354 PolarHBondContact O-N 2.99Å |
| 351 | Y | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -50.8 | -43.6 | -179.2 | -158.1 | -83.1 | 0 | 0 | 0 | 114.1 | R75 Q79 D347 V353 E354 T355 L405 F406 K407 G408 F409 L412 | R75-Y351 HydrophobicContact CG-CE2 4.25Å; R75-Y351 WeakPolarHBondContact CG-OH 3.03Å; Q79-Y351 HydrophobicContact CG-CE1 4.33Å; Q79-Y351 VanDerWaalsContact NE2-CE1 3.27Å; Q79-Y351 PolarHBondContact NE2-OH 3.2Å; D347-Y351 WeakPolarHBondContact O-CA 3.49Å; D347-Y351 VanDerWaalsContact O-CB 3.3Å; D347-Y351 WeakPolarHBondContact O-CB 3.37Å; D347-Y351 PolarHBondContact O-N 3.39Å; Y351-V353 VanDerWaalsContact C-N 3.34Å; Y351-V353 PolarHBondContact O-N 3.46Å; Y351-E354 PolarHBondContact O-N 3.26Å; Y351-T355 PolarHBondContact O-N 3.25Å; Y351-T355 PolarHBondContact O-OG1 3.06Å; Y351-L405 WeakPolarHBondContact CD1-O 3.38Å; Y351-L405 VanDerWaalsContact CE1-O 3.24Å; Y351-L405 WeakPolarHBondContact CE1-O 3.19Å; Y351-F406 AromaticContact CD1-CD1 3.74Å; Y351-F406 HydrophobicContact CD1-CD1 3.74Å; Y351-F406 HydrophobicContact CD1-CE1 4.23Å; Y351-F406 HydrophobicContact CD1-CG 4.24Å; Y351-F406 HydrophobicContact CE1-CB 4.5Å; Y351-F406 HydrophobicContact CE1-CD1 4.39Å; Y351-F406 HydrophobicContact CG-CD1 4.09Å; Y351-F406 HydrophobicContact CG-CE1 4.25Å; Y351-K407 PolarHBondContact OH-O 3.41Å; Y351-G408 PolarHBondContact OH-O 2.99Å; Y351-F409 HydrophobicContact CD1-CD2 4.49Å; Y351-F409 AromaticContact CD2-CD2 3.85Å; Y351-F409 HydrophobicContact CD2-CD2 3.85Å; Y351-F409 HydrophobicContact CD2-CE2 4.26Å; Y351-F409 HydrophobicContact CE1-CD2 4.48Å; Y351-F409 AromaticContact CE2-CD2 3.77Å; Y351-F409 HydrophobicContact CE2-CD2 3.77Å; Y351-F409 HydrophobicContact CG-CD2 4.19Å; Y351-F409 WeakPolarHBondContact OH-CA 3.44Å; Y351-F409 PolarHBondContact OH-N 2.9Å; Y351-F409 VanDerWaalsContact OH-N 3.11Å; Y351-L412 HydrophobicContact CD2-CD2 3.92Å; Y351-L412 HydrophobicContact CE2-CB 4.27Å; Y351-L412 HydrophobicContact CE2-CD2 4.1Å |
| 352 | P | 95.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 20.3 Ų | 20.3 | 18% | 0.175 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.2 | -37.2 | 178.3 | -21 | 34.9 | 0 | 0 | 0 | 112.6 | L350 T355 L356 L405 F406 | L350-P352 VanDerWaalsContact C-CD 3.43Å; L350-P352 VanDerWaalsContact C-N 3.33Å; P352-T355 PolarHBondContact O-N 2.98Å; P352-L356 VanDerWaalsContact O-CG 3.31Å; P352-L356 WeakPolarHBondContact O-CG 3.37Å; P352-L356 PolarHBondContact O-N 3.35Å; P352-L356 VanDerWaalsContact O-N 3.16Å; P352-L405 HydrophobicContact CB-CB 4.1Å; P352-L405 HydrophobicContact CB-CD1 3.86Å; P352-F406 HydrophobicContact CG-CE1 4.41Å; P352-F406 HydrophobicContact CG-CE2 3.8Å; P352-F406 HydrophobicContact CG-CZ 3.63Å |
| 353 | V | 96.4 | Very high | 95 | Very high | 31 Ų | 31 | 20.7 Ų | 20.7 | 19% | 0.188 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | L242 L243 L350 Y351 T355 L356 V357 F388 | L242-V353 HydrophobicContact CD2-CG1 4.47Å; L243-V353 HydrophobicContact CB-CG1 4.14Å; L243-V353 HydrophobicContact CD1-CB 4.42Å; L243-V353 HydrophobicContact CD1-CG1 4.29Å; L350-V353 WeakPolarHBondContact O-CB 3.31Å; L350-V353 PolarHBondContact O-N 2.85Å; Y351-V353 VanDerWaalsContact C-N 3.34Å; Y351-V353 PolarHBondContact O-N 3.46Å; V353-T355 VanDerWaalsContact C-N 3.34Å; V353-T355 PolarHBondContact O-N 2.96Å; V353-L356 PolarHBondContact O-N 3.3Å; V353-V357 HydrophobicContact CG1-CG2 4.34Å; V353-V357 WeakPolarHBondContact O-CB 3.38Å; V353-V357 VanDerWaalsContact O-CG2 3.31Å; V353-V357 WeakPolarHBondContact O-CG2 3.26Å; V353-V357 PolarHBondContact O-N 2.9Å; V353-F388 HydrophobicContact CG1-CE2 4.25Å; V353-F388 HydrophobicContact CG1-CZ 4.38Å |
| 354 | E | 96.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 13% | 0.131 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -55.3 | -50.4 | 174.3 | -177.5 | 178.7 | -137.3 | 0 | 0 | 110.7 | R75 Q79 L243 L350 Y351 L356 V357 L358 | R75-E354 VanDerWaalsContact CZ-CD 3.47Å; R75-E354 IonicContact CZ-OE1 3.86Å; R75-E354 IonicContact CZ-OE2 3.59Å; R75-E354 IonicContact NE-OE1 2.76Å; R75-E354 IonicContact NE-OE2 3.98Å; R75-E354 IonicContact NH1-OE1 2.65Å; R75-E354 PolarHBondContact NH1-OE1 2.86Å; R75-E354 IonicContact NH1-OE2 3.7Å; R75-E354 PolarHBondContact NH1-OE2 3.39Å; R75-E354 IonicContact NH2-OE1 3.42Å; R75-E354 PolarHBondContact NH2-OE1 3.39Å; R75-E354 IonicContact NH2-OE2 2.87Å; Q79-E354 PolarHBondContact NE2-OE2 3.42Å; L243-E354 HydrophobicContact CD1-CB 3.88Å; L243-E354 HydrophobicContact CD2-CB 4.42Å; L350-E354 PolarHBondContact O-N 2.99Å; Y351-E354 PolarHBondContact O-N 3.26Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.33Å; E354-V357 PolarHBondContact O-N 2.76Å; E354-L358 HydrophobicContact CG-CD1 4.02Å; E354-L358 HydrophobicContact CG-CG 4.44Å; E354-L358 VanDerWaalsContact O-CG 3.29Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.28Å |
| 355 | T | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.9 | -43 | 179.7 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | Q79 Y351 P352 V353 R359 L405 | Q79-T355 HydrophobicContact CB-CG2 4.01Å; Q79-T355 HydrophobicContact CG-CG2 4.23Å; Q79-T355 WeakPolarHBondContact CG-OG1 3.32Å; Q79-T355 PolarHBondContact NE2-OG1 3.43Å; Q79-T355 VanDerWaalsContact NE2-OG1 3.15Å; Y351-T355 PolarHBondContact O-N 3.25Å; Y351-T355 PolarHBondContact O-OG1 3.06Å; P352-T355 PolarHBondContact O-N 2.98Å; V353-T355 VanDerWaalsContact C-N 3.34Å; V353-T355 PolarHBondContact O-N 2.96Å; T355-R359 WeakPolarHBondContact O-CG 3.44Å; T355-R359 PolarHBondContact O-N 3.09Å; T355-R359 VanDerWaalsContact O-N 3.15Å; T355-L405 HydrophobicContact CG2-CD2 3.97Å; T355-L405 PolarHBondContact OG1-O 3.04Å |
| 356 | L | 95.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.4 | -69.5 | 169 | 0 | 0 | 0 | 112.1 | P352 V353 E354 R359 L360 F388 A391 L392 L405 | P352-L356 VanDerWaalsContact O-CG 3.31Å; P352-L356 WeakPolarHBondContact O-CG 3.37Å; P352-L356 PolarHBondContact O-N 3.35Å; P352-L356 VanDerWaalsContact O-N 3.16Å; V353-L356 PolarHBondContact O-N 3.3Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-L356 PolarHBondContact O-N 3.33Å; L356-R359 PolarHBondContact O-N 3.47Å; L356-L360 VanDerWaalsContact O-CG 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 2.92Å; L356-F388 HydrophobicContact CB-CD2 4.08Å; L356-F388 HydrophobicContact CB-CE2 3.61Å; L356-F388 HydrophobicContact CB-CZ 4.43Å; L356-F388 HydrophobicContact CD1-CD2 4.46Å; L356-F388 HydrophobicContact CD1-CE1 4.41Å; L356-F388 HydrophobicContact CD1-CE2 3.67Å; L356-F388 HydrophobicContact CD1-CZ 3.63Å; L356-F388 HydrophobicContact CG-CE2 4.3Å; L356-A391 HydrophobicContact CD2-CB 3.93Å; L356-L392 HydrophobicContact CD1-CB 4.06Å; L356-L392 HydrophobicContact CD1-CD1 3.86Å; L356-L392 HydrophobicContact CD1-CG 4.49Å; L356-L405 HydrophobicContact CD1-CD1 4.5Å; L356-L405 HydrophobicContact CD2-CD2 3.83Å; L356-L405 HydrophobicContact CG-CD2 3.95Å |
| 357 | V | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 176.4 | 168 | 0 | 0 | 0 | 0 | 110.9 | F168 P239 V240 L243 V353 E354 R359 L360 C361 | F168-V357 HydrophobicContact CE1-CG1 4.15Å; P239-V357 HydrophobicContact CB-CG2 3.84Å; P239-V357 WeakPolarHBondContact O-CG2 3.37Å; V240-V357 HydrophobicContact CG2-CG1 3.78Å; L243-V357 HydrophobicContact CB-CG2 4.21Å; L243-V357 HydrophobicContact CD2-CB 4.04Å; L243-V357 HydrophobicContact CD2-CG1 3.99Å; L243-V357 HydrophobicContact CD2-CG2 4.11Å; V353-V357 HydrophobicContact CG1-CG2 4.34Å; V353-V357 WeakPolarHBondContact O-CB 3.38Å; V353-V357 VanDerWaalsContact O-CG2 3.31Å; V353-V357 WeakPolarHBondContact O-CG2 3.26Å; V353-V357 PolarHBondContact O-N 2.9Å; E354-V357 PolarHBondContact O-N 2.76Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 2.97Å; V357-L360 PolarHBondContact O-N 2.94Å; V357-C361 WeakPolarHBondContact O-CB 3.38Å; V357-C361 PolarHBondContact O-N 2.88Å; V357-C361 PolarHBondContact O-SG 3.08Å; V357-C361 VanDerWaalsContact O-SG 3.38Å |
| 358 | L | 95 | Very high | 92 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 178.2 | -71.7 | 170.3 | 0 | 0 | 0 | 111.4 | N76 Q79 V80 I172 E354 L360 C361 V362 | N76-L358 HydrophobicContact CB-CD1 4.36Å; Q79-L358 HydrophobicContact CB-CD1 3.97Å; Q79-L358 HydrophobicContact CG-CD1 4.46Å; V80-L358 HydrophobicContact CG2-CB 4.18Å; I172-L358 HydrophobicContact CB-CD2 4.39Å; I172-L358 HydrophobicContact CD1-CD2 3.85Å; I172-L358 HydrophobicContact CG1-CD2 3.91Å; I172-L358 HydrophobicContact CG2-CD2 3.53Å; E354-L358 HydrophobicContact CG-CD1 4.02Å; E354-L358 HydrophobicContact CG-CG 4.44Å; E354-L358 VanDerWaalsContact O-CG 3.29Å; E354-L358 WeakPolarHBondContact O-CG 3.41Å; E354-L358 PolarHBondContact O-N 3.28Å; L358-L360 VanDerWaalsContact C-N 3.33Å; L358-L360 PolarHBondContact O-N 3.21Å; L358-C361 PolarHBondContact O-N 3.02Å; L358-V362 WeakPolarHBondContact O-CB 3.28Å; L358-V362 WeakPolarHBondContact O-CG2 3.14Å; L358-V362 PolarHBondContact O-N 3.45Å |
| 359 | R | 94.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 176.6 | -72.8 | 179.2 | -172 | 173.7 | 5.9 | 112.5 | Q79 T355 L356 V357 Q363 Y385 S395 G404 | Q79-R359 PolarHBondContact O-NE 2.78Å; Q79-R359 PolarHBondContact O-NH2 3.45Å; T355-R359 WeakPolarHBondContact O-CG 3.44Å; T355-R359 PolarHBondContact O-N 3.09Å; T355-R359 VanDerWaalsContact O-N 3.15Å; L356-R359 PolarHBondContact O-N 3.47Å; V357-R359 VanDerWaalsContact C-N 3.34Å; V357-R359 PolarHBondContact O-N 2.97Å; R359-Q363 WeakPolarHBondContact O-CB 3.29Å; R359-Q363 PolarHBondContact O-N 3.46Å; R359-Q363 VanDerWaalsContact O-N 3.12Å; R359-Y385 HydrophobicContact CB-CE2 3.93Å; R359-S395 PolarHBondContact NH1-OG 3.42Å; R359-G404 PolarHBondContact NH2-O 3.39Å |
| 360 | L | 92.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 19.8 Ų | 19.8 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | 178 | -67.8 | 168.4 | 0 | 0 | 0 | 113.1 | L231 L236 P239 L356 V357 L358 V362 Y385 F388 A391 | L231-L360 HydrophobicContact CD1-CD2 4.28Å; L231-L360 HydrophobicContact CD2-CD2 3.93Å; L236-L360 HydrophobicContact CD2-CB 3.76Å; P239-L360 HydrophobicContact CB-CD1 4.45Å; P239-L360 HydrophobicContact CG-CD1 4.14Å; L356-L360 VanDerWaalsContact O-CG 3.27Å; L356-L360 WeakPolarHBondContact O-CG 3.5Å; L356-L360 PolarHBondContact O-N 2.92Å; V357-L360 PolarHBondContact O-N 2.94Å; L358-L360 VanDerWaalsContact C-N 3.33Å; L358-L360 PolarHBondContact O-N 3.21Å; L360-V362 VanDerWaalsContact C-N 3.25Å; L360-V362 PolarHBondContact O-N 3.33Å; L360-Y385 HydrophobicContact CD2-CD2 4.24Å; L360-F388 HydrophobicContact CD1-CB 4.03Å; L360-F388 HydrophobicContact CD1-CD2 3.96Å; L360-A391 HydrophobicContact CD2-CB 4.13Å; L360-A391 HydrophobicContact CG-CB 4.46Å |
| 361 | C | 91.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -34.1 | -179 | -76.9 | 0 | 0 | 0 | 0 | 112.5 | S169 I172 R197 V357 L358 | S169-C361 PolarHBondContact OG-O 3.41Å; I172-C361 HydrophobicContact CB-CB 4.45Å; I172-C361 HydrophobicContact CD1-CB 3.88Å; I172-C361 HydrophobicContact CG2-CB 4.33Å; R197-C361 PolarHBondContact NH1-O 3.44Å; R197-C361 PolarHBondContact NH2-O 2.92Å; R197-C361 VanDerWaalsContact NH2-O 3.13Å; V357-C361 WeakPolarHBondContact O-CB 3.38Å; V357-C361 PolarHBondContact O-N 2.88Å; V357-C361 PolarHBondContact O-SG 3.08Å; V357-C361 VanDerWaalsContact O-SG 3.38Å; L358-C361 PolarHBondContact O-N 3.02Å |
| 362 | V | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -91.5 | -27.9 | -173 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | V80 I172 V173 I176 L358 L360 G364 T365 T367 I381 | V80-V362 HydrophobicContact CG1-CG1 4.17Å; V80-V362 HydrophobicContact CG2-CG2 4.31Å; I172-V362 HydrophobicContact CG2-CG2 3.51Å; V173-V362 HydrophobicContact CG2-CG2 4.27Å; I176-V362 HydrophobicContact CD1-CB 4.06Å; I176-V362 HydrophobicContact CD1-CG1 3.3Å; I176-V362 HydrophobicContact CD1-CG2 3.49Å; I176-V362 VanDerWaalsContact CD1-CG2 3.49Å; I176-V362 HydrophobicContact CG1-CG1 4.49Å; I176-V362 HydrophobicContact CG1-CG2 3.89Å; L358-V362 WeakPolarHBondContact O-CB 3.28Å; L358-V362 WeakPolarHBondContact O-CG2 3.14Å; L358-V362 PolarHBondContact O-N 3.45Å; L360-V362 VanDerWaalsContact C-N 3.25Å; L360-V362 PolarHBondContact O-N 3.33Å; V362-G364 PolarHBondContact O-N 2.93Å; V362-T365 WeakPolarHBondContact O-CB 3.5Å; V362-T365 WeakPolarHBondContact O-CG2 3.26Å; V362-T365 PolarHBondContact O-N 2.99Å; V362-T365 PolarHBondContact O-OG1 2.76Å; V362-T367 WeakPolarHBondContact CG1-OG1 3.14Å; V362-I381 HydrophobicContact CB-CD1 4.24Å; V362-I381 HydrophobicContact CG1-CD1 2.97Å; V362-I381 HydrophobicContact CG1-CG1 4.4Å |
| 363 | Q | 89.5 | Confident | 90.8 | Very high | 8 Ų | 8 | 21.1 Ų | 21.1 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | 140.9 | 178.3 | 158.6 | 175.5 | -27.3 | 0 | 0 | 113 | R229 L230 L231 R359 T365 S383 Y385 | R229-Q363 WeakPolarHBondContact O-CG 3.46Å; R229-Q363 PolarHBondContact O-NE2 3.21Å; R229-Q363 VanDerWaalsContact O-NE2 3.07Å; L230-Q363 WeakPolarHBondContact CD1-O 3.29Å; L231-Q363 HydrophobicContact CD1-CB 4Å; L231-Q363 HydrophobicContact CD1-CG 3.7Å; R359-Q363 WeakPolarHBondContact O-CB 3.29Å; R359-Q363 PolarHBondContact O-N 3.46Å; R359-Q363 VanDerWaalsContact O-N 3.12Å; Q363-T365 PolarHBondContact O-N 3.24Å; Q363-S383 WeakPolarHBondContact CG-O 3.22Å; Q363-Y385 VanDerWaalsContact CD-N 3.35Å; Q363-Y385 PolarHBondContact NE2-O 3.38Å; Q363-Y385 VanDerWaalsContact OE1-CD2 3.27Å |
| 364 | G | 81.2 | Confident | 90.5 | Very high | 13 Ų | 13 | 22.6 Ų | 22.6 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | -2.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | T227 V362 R366 | T227-G364 WeakPolarHBondContact CB-O 3.46Å; T227-G364 PolarHBondContact OG1-O 3.31Å; T227-G364 VanDerWaalsContact OG1-O 3.09Å; V362-G364 PolarHBondContact O-N 2.93Å; G364-R366 VanDerWaalsContact C-N 3.33Å; G364-R366 PolarHBondContact O-N 3.19Å |
| 365 | T | 81.1 | Confident | 90.1 | Very high | 30 Ų | 30 | 21.5 Ų | 21.5 | 18% | 0.184 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -84.4 | -2.8 | -177.1 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | V173 L230 V362 Q363 T367 | V173-T365 HydrophobicContact CG2-CG2 3.85Å; L230-T365 HydrophobicContact CD1-CG2 3.93Å; V362-T365 WeakPolarHBondContact O-CB 3.5Å; V362-T365 WeakPolarHBondContact O-CG2 3.26Å; V362-T365 PolarHBondContact O-N 2.99Å; V362-T365 PolarHBondContact O-OG1 2.76Å; Q363-T365 PolarHBondContact O-N 3.24Å; T365-T367 PolarHBondContact O-N 2.92Å; T365-T367 VanDerWaalsContact O-N 3.16Å; T365-T367 WeakPolarHBondContact OG1-CG2 3.02Å; T365-T367 PolarHBondContact OG1-OG1 2.89Å |
| 366 | R | 80.9 | Confident | 89.6 | Confident | 168 Ų | 168 | 25 Ų | 25 | 63% | 0.634 | 13% | 0.128 | S | C | * | . | trans | 52.4 | 29.2 | -174.3 | -60.6 | -178 | 178.2 | 165.6 | 3.6 | 113.5 | T227 G364 | T227-R366 HydrophobicContact CG2-CG 4.07Å; T227-R366 VanDerWaalsContact CG2-NE 3.34Å; G364-R366 VanDerWaalsContact C-N 3.33Å; G364-R366 PolarHBondContact O-N 3.19Å | ||
| 367 | T | 84.7 | Confident | 89.2 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | trans | -75.7 | 141.6 | 179.1 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | V173 V362 T365 I381 | V173-T367 HydrophobicContact CG1-CG2 3.52Å; V362-T367 WeakPolarHBondContact CG1-OG1 3.14Å; T365-T367 PolarHBondContact O-N 2.92Å; T365-T367 VanDerWaalsContact O-N 3.16Å; T365-T367 WeakPolarHBondContact OG1-CG2 3.02Å; T365-T367 PolarHBondContact OG1-OG1 2.89Å; T367-I381 PolarHBondContact O-N 3.37Å; T367-I381 WeakPolarHBondContact OG1-CD1 3.39Å | ||
| 368 | L | 89.1 | Confident | 89 | Confident | 59 Ų | 59 | 30.7 Ų | 30.7 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126 | 172.3 | -64.7 | 179.6 | 0 | 0 | 0 | 108.2 | S178 A181 V378 P380 | S178-L368 WeakPolarHBondContact CB-O 3.5Å; S178-L368 PolarHBondContact N-O 3.04Å; A181-L368 HydrophobicContact CB-CB 3.66Å; A181-L368 HydrophobicContact CB-CD1 3.58Å; A181-L368 HydrophobicContact CB-CG 4.09Å; L368-V378 HydrophobicContact CB-CB 4.32Å; L368-V378 HydrophobicContact CB-CG2 4.45Å; L368-V378 HydrophobicContact CD1-CG2 4.23Å; L368-P380 HydrophobicContact CD2-CB 3.71Å |
| 369 | V | 90.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 151.5 | -175.2 | 176 | 0 | 0 | 0 | 0 | 109.2 | V80 I176 V378 V379 I381 | V80-V369 HydrophobicContact CG1-CG2 4.33Å; I176-V369 HydrophobicContact CD1-CG2 3.8Å; V369-V378 CarbonylContact O-C 3.53Å; V369-V378 VanDerWaalsContact O-CA 3.29Å; V369-V378 WeakPolarHBondContact O-CA 3.49Å; V369-V379 PolarHBondContact N-O 2.92Å; V369-V379 PolarHBondContact O-N 3.3Å; V369-I381 HydrophobicContact CG2-CD1 3.48Å; V369-I381 VanDerWaalsContact CG2-CD1 3.48Å; V369-I381 HydrophobicContact CG2-CG1 3.74Å |
| 370 | D | 91.7 | Very high | 88.6 | Confident | 7 Ų | 7 | 35.2 Ų | 35.2 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.2 | 177.1 | -65.2 | -52.6 | 0 | 0 | 0 | 110.7 | Q105 F109 K112 S178 M372 | Q105-D370 VanDerWaalsContact NE2-CG 3.34Å; Q105-D370 PolarHBondContact NE2-OD1 2.88Å; Q105-D370 PolarHBondContact NE2-OD2 2.72Å; Q105-D370 PolarHBondContact OE1-OD2 3.07Å; F109-D370 HydrophobicContact CE2-CB 4.27Å; K112-D370 IonicContact NZ-OD2 3.81Å; K112-D370 PolarHBondContact NZ-OD2 3.33Å; S178-D370 VanDerWaalsContact CB-OD1 3.23Å; S178-D370 WeakPolarHBondContact CB-OD1 3.42Å; S178-D370 PolarHBondContact OG-OD1 3.26Å; D370-M372 PolarHBondContact O-N 3.45Å |
| 371 | N | 92 | Very high | 88.4 | Confident | 21 Ų | 21 | 36.4 Ų | 36.4 | 11% | 0.112 | 20% | 0.198 | C | C | . | . | trans | -75.2 | 102 | -179.9 | -173.1 | 0.6 | 0 | 0 | 0 | 111 | D373 T374 G375 V377 V379 | N371-D373 PolarHBondContact O-N 2.84Å; N371-D373 WeakPolarHBondContact OD1-CB 3.48Å; N371-D373 PolarHBondContact OD1-N 2.88Å; N371-T374 PolarHBondContact O-N 3.19Å; N371-G375 WeakPolarHBondContact O-CA 3.21Å; N371-G375 PolarHBondContact O-N 3.48Å; N371-V377 WeakPolarHBondContact CB-O 3.39Å; N371-V377 PolarHBondContact N-O 3.34Å; N371-V379 HydrophobicContact CB-CG2 3.81Å | ||
| 372 | M | 92 | Very high | 88.1 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -5.4 | 177.3 | -64.9 | -61 | -60.9 | 0 | 0 | 114.2 | I74 Q77 H88 L94 V97 V98 F109 D370 | I74-M372 HydrophobicContact CG2-CE 3.86Å; Q77-M372 HydrophobicContact CB-CG 3.74Å; Q77-M372 HydrophobicContact CB-SD 4.1Å; H88-M372 PolarHBondContact NE2-O 3.09Å; L94-M372 HydrophobicContact CD2-CE 3.88Å; V97-M372 HydrophobicContact CG1-CB 4.47Å; V97-M372 HydrophobicContact CG1-CE 3.94Å; V97-M372 WeakPolarHBondContact CG1-O 3.46Å; V97-M372 HydrophobicContact CG1-SD 4.26Å; V97-M372 WeakPolarHBondContact CG2-O 2.92Å; V98-M372 HydrophobicContact CG2-CE 4.15Å; F109-M372 HydrophobicContact CZ-SD 4.17Å; D370-M372 PolarHBondContact O-N 3.45Å |
| 373 | D | 91.3 | Very high | 87.9 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 27% | 0.267 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -34.9 | 171.5 | -66.2 | -28.4 | 0 | 0 | 0 | 112.1 | S84 Q85 C86 N371 | S84-D373 WeakPolarHBondContact CA-OD2 3.42Å; S84-D373 WeakPolarHBondContact CB-OD1 3.34Å; S84-D373 WeakPolarHBondContact CB-OD2 3.47Å; S84-D373 PolarHBondContact OG-OD1 2.88Å; S84-D373 PolarHBondContact OG-OD2 3.43Å; Q85-D373 PolarHBondContact N-OD1 3.24Å; Q85-D373 PolarHBondContact N-OD2 3.2Å; C86-D373 WeakPolarHBondContact CB-OD1 3.49Å; C86-D373 PolarHBondContact N-OD1 2.95Å; N371-D373 PolarHBondContact O-N 2.84Å; N371-D373 WeakPolarHBondContact OD1-CB 3.48Å; N371-D373 PolarHBondContact OD1-N 2.88Å |
| 374 | T | 90.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | -35.7 | -173 | -50.7 | 0 | 0 | 0 | 0 | 113.4 | K100 N371 D376 | K100-T374 WeakPolarHBondContact CD-O 3.42Å; N371-T374 PolarHBondContact O-N 3.19Å; T374-D376 HydrophobicContact CG2-CB 4.49Å |
| 375 | G | 87 | Confident | 88.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 86.5 | -9.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | N371 | N371-G375 WeakPolarHBondContact O-CA 3.21Å; N371-G375 PolarHBondContact O-N 3.48Å |
| 376 | D | 84.6 | Confident | 88.6 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -114.6 | -21.7 | -169.9 | -59.3 | -37 | 0 | 0 | 0 | 114.1 | K100 K180 T374 | K100-D376 IonicContact NZ-OD2 2.78Å; K180-D376 PolarHBondContact NZ-O 2.88Å; T374-D376 HydrophobicContact CG2-CB 4.49Å |
| 377 | V | 89.1 | Confident | 89.1 | Confident | 81 Ų | 81 | 42.3 Ų | 42.3 | 49% | 0.491 | 25% | 0.252 | S | S | . | . | trans | -111.9 | 150.1 | -172.2 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | N371 | N371-V377 WeakPolarHBondContact CB-O 3.39Å; N371-V377 PolarHBondContact N-O 3.34Å | ||
| 378 | V | 90.8 | Very high | 89.5 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 26% | 0.255 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 141.3 | 170.8 | -61.7 | 0 | 0 | 0 | 0 | 110.8 | S178 K180 L368 V369 | S178-V378 VanDerWaalsContact OG-CG1 3.3Å; S178-V378 WeakPolarHBondContact OG-CG1 3.43Å; K180-V378 HydrophobicContact CB-CG1 4.21Å; K180-V378 HydrophobicContact CD-CG1 4.13Å; L368-V378 HydrophobicContact CB-CB 4.32Å; L368-V378 HydrophobicContact CB-CG2 4.45Å; L368-V378 HydrophobicContact CD1-CG2 4.23Å; V369-V378 CarbonylContact O-C 3.53Å; V369-V378 VanDerWaalsContact O-CA 3.29Å; V369-V378 WeakPolarHBondContact O-CA 3.49Å |
| 379 | V | 90.8 | Very high | 89.8 | Confident | 34 Ų | 34 | 49 Ų | 49 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.5 | -176.8 | 174.4 | 0 | 0 | 0 | 0 | 109.6 | L81 V369 N371 | L81-V379 HydrophobicContact CD1-CG1 3.81Å; V369-V379 PolarHBondContact N-O 2.92Å; V369-V379 PolarHBondContact O-N 3.3Å; N371-V379 HydrophobicContact CB-CG2 3.81Å |
| 380 | P | 90.4 | Very high | 89.9 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 47% | 0.468 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 146.4 | 173.8 | 30.8 | -34.5 | 0 | 0 | 0 | 111.3 | L368 V382 | L368-P380 HydrophobicContact CD2-CB 3.71Å; P380-V382 HydrophobicContact CG-CG2 4.37Å; P380-V382 PolarHBondContact O-N 3.12Å |
| 381 | I | 87.7 | Confident | 90 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | trans | -83.7 | 116.2 | 174.7 | -59 | 172.3 | 0 | 0 | 0 | 109.4 | V80 I176 V362 T367 V369 S383 | V80-I381 HydrophobicContact CG1-CD1 3.34Å; V80-I381 HydrophobicContact CG1-CG1 3.95Å; I176-I381 HydrophobicContact CD1-CD1 4.09Å; V362-I381 HydrophobicContact CB-CD1 4.24Å; V362-I381 HydrophobicContact CG1-CD1 2.97Å; V362-I381 HydrophobicContact CG1-CG1 4.4Å; T367-I381 PolarHBondContact O-N 3.37Å; T367-I381 WeakPolarHBondContact OG1-CD1 3.39Å; V369-I381 HydrophobicContact CG2-CD1 3.48Å; V369-I381 VanDerWaalsContact CG2-CD1 3.48Å; V369-I381 HydrophobicContact CG2-CG1 3.74Å; I381-S383 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 382 | V | 84.6 | Confident | 90.1 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 62% | 0.624 | 30% | 0.298 | S | S | * | . | trans | -106.6 | 0.1 | -175.7 | -170 | 0 | 0 | 0 | 0 | 112.3 | P380 | P380-V382 HydrophobicContact CG-CG2 4.37Å; P380-V382 PolarHBondContact O-N 3.12Å | ||
| 383 | S | 85.8 | Confident | 90.2 | Very high | 21 Ų | 21 | 62 Ų | 62 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | trans | -66.6 | 138.3 | -178 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | Q363 I381 | Q363-S383 WeakPolarHBondContact CG-O 3.22Å; I381-S383 WeakPolarHBondContact CG2-OG 3.44Å | ||
| 384 | S | 87.7 | Confident | 90.3 | Very high | 76 Ų | 76 | 61.8 Ų | 61.8 | 53% | 0.531 | 34% | 0.336 | S | S | . | . | trans | -138.5 | 99.8 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 385 | Y | 90.9 | Very high | 90.3 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 4% | 0.039 | 32% | 0.318 | C | S | . | . | trans | -105.4 | 143.6 | 175.1 | -47 | -68.6 | 0 | 0 | 0 | 110.1 | E82 R359 L360 Q363 G387 D390 A391 | E82-Y385 PolarHBondContact OE2-OH 3.5Å; R359-Y385 HydrophobicContact CB-CE2 3.93Å; L360-Y385 HydrophobicContact CD2-CD2 4.24Å; Q363-Y385 VanDerWaalsContact CD-N 3.35Å; Q363-Y385 PolarHBondContact NE2-O 3.38Å; Q363-Y385 VanDerWaalsContact OE1-CD2 3.27Å; Y385-G387 VanDerWaalsContact C-N 3.33Å; Y385-D390 WeakPolarHBondContact CA-OD2 3.3Å; Y385-A391 VanDerWaalsContact CD1-CA 3.45Å; Y385-A391 HydrophobicContact CD1-CB 3.78Å; Y385-A391 HydrophobicContact CD2-CB 3.89Å; Y385-A391 HydrophobicContact CE1-CB 4.22Å; Y385-A391 HydrophobicContact CE2-CB 4.31Å; Y385-A391 HydrophobicContact CG-CB 3.58Å | ||
| 386 | D | 89 | Confident | 90.6 | Very high | 117 Ų | 117 | 63 Ų | 63 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -75.9 | -25.8 | 174.6 | -78.1 | -37.8 | 0 | 0 | 0 | 112.4 | R235 D390 | R235-D386 WeakPolarHBondContact CD-O 3.31Å; R235-D386 PolarHBondContact NH1-O 2.91Å; D386-D390 HydrophobicContact CB-CB 4.32Å; D386-D390 PolarHBondContact N-OD2 3.38Å |
| 387 | G | 90.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 179.1 | -170.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y385 F389 D390 A391 | Y385-G387 VanDerWaalsContact C-N 3.33Å; G387-F389 PolarHBondContact O-N 3.26Å; G387-D390 PolarHBondContact O-N 3.43Å; G387-A391 PolarHBondContact O-N 3.21Å |
| 388 | F | 93.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 60.2 Ų | 60.2 | 16% | 0.162 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | -175 | -178.7 | -94.3 | 0 | 0 | 0 | 114.1 | P239 V353 L356 L360 D390 A391 L392 | P239-F388 HydrophobicContact CB-CB 4.24Å; P239-F388 HydrophobicContact CB-CD2 3.5Å; P239-F388 HydrophobicContact CB-CE2 4.11Å; P239-F388 HydrophobicContact CB-CG 4.06Å; P239-F388 HydrophobicContact CG-CB 4.45Å; P239-F388 HydrophobicContact CG-CD2 4.43Å; V353-F388 HydrophobicContact CG1-CE2 4.25Å; V353-F388 HydrophobicContact CG1-CZ 4.38Å; L356-F388 HydrophobicContact CB-CD2 4.08Å; L356-F388 HydrophobicContact CB-CE2 3.61Å; L356-F388 HydrophobicContact CB-CZ 4.43Å; L356-F388 HydrophobicContact CD1-CD2 4.46Å; L356-F388 HydrophobicContact CD1-CE1 4.41Å; L356-F388 HydrophobicContact CD1-CE2 3.67Å; L356-F388 HydrophobicContact CD1-CZ 3.63Å; L356-F388 HydrophobicContact CG-CE2 4.3Å; L360-F388 HydrophobicContact CD1-CB 4.03Å; L360-F388 HydrophobicContact CD1-CD2 3.96Å; F388-D390 VanDerWaalsContact C-N 3.29Å; F388-D390 PolarHBondContact O-N 2.83Å; F388-A391 PolarHBondContact O-N 3.13Å; F388-L392 WeakPolarHBondContact O-CB 3.31Å; F388-L392 PolarHBondContact O-N 3.24Å |
| 389 | F | 94.5 | Very high | 90.8 | Very high | 169 Ų | 169 | 65 Ų | 65 | 74% | 0.741 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -69 | -28.8 | -179.8 | -66.9 | -70.8 | 0 | 0 | 0 | 113 | G387 R393 | G387-F389 PolarHBondContact O-N 3.26Å; F389-R393 WeakPolarHBondContact O-CB 3.22Å; F389-R393 PolarHBondContact O-N 3.46Å |
| 390 | D | 93.8 | Very high | 90.7 | Very high | 59 Ų | 59 | 66.3 Ų | 66.3 | 32% | 0.316 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.9 | -44.7 | 174.1 | -176 | 44.4 | 0 | 0 | 0 | 111 | Y385 D386 G387 F388 L392 R393 S394 | Y385-D390 WeakPolarHBondContact CA-OD2 3.3Å; D386-D390 HydrophobicContact CB-CB 4.32Å; D386-D390 PolarHBondContact N-OD2 3.38Å; G387-D390 PolarHBondContact O-N 3.43Å; F388-D390 VanDerWaalsContact C-N 3.29Å; F388-D390 PolarHBondContact O-N 2.83Å; D390-L392 VanDerWaalsContact C-N 3.3Å; D390-L392 PolarHBondContact O-N 3.38Å; D390-R393 PolarHBondContact O-N 3.21Å; D390-S394 WeakPolarHBondContact O-CB 3.29Å; D390-S394 PolarHBondContact O-N 3.05Å |
| 391 | A | 92.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L356 L360 Y385 G387 F388 S395 | L356-A391 HydrophobicContact CD2-CB 3.93Å; L360-A391 HydrophobicContact CD2-CB 4.13Å; L360-A391 HydrophobicContact CG-CB 4.46Å; Y385-A391 VanDerWaalsContact CD1-CA 3.45Å; Y385-A391 HydrophobicContact CD1-CB 3.78Å; Y385-A391 HydrophobicContact CD2-CB 3.89Å; Y385-A391 HydrophobicContact CE1-CB 4.22Å; Y385-A391 HydrophobicContact CE2-CB 4.31Å; Y385-A391 HydrophobicContact CG-CB 3.58Å; G387-A391 PolarHBondContact O-N 3.21Å; F388-A391 PolarHBondContact O-N 3.13Å; A391-S395 WeakPolarHBondContact O-CB 3.47Å; A391-S395 PolarHBondContact O-N 3.37Å; A391-S395 PolarHBondContact O-OG 2.89Å |
| 392 | L | 94.8 | Very high | 90.8 | Very high | 50 Ų | 50 | 67.2 Ų | 67.2 | 26% | 0.262 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 175 | 177.4 | 61.2 | 0 | 0 | 0 | 111.2 | L356 F388 D390 S395 L396 L405 | L356-L392 HydrophobicContact CD1-CB 4.06Å; L356-L392 HydrophobicContact CD1-CD1 3.86Å; L356-L392 HydrophobicContact CD1-CG 4.49Å; F388-L392 WeakPolarHBondContact O-CB 3.31Å; F388-L392 PolarHBondContact O-N 3.24Å; D390-L392 VanDerWaalsContact C-N 3.3Å; D390-L392 PolarHBondContact O-N 3.38Å; L392-S395 PolarHBondContact O-N 3.37Å; L392-L396 HydrophobicContact CD1-CD1 3.81Å; L392-L396 HydrophobicContact CD1-CG 4.21Å; L392-L396 HydrophobicContact CG-CD1 3.76Å; L392-L396 WeakPolarHBondContact O-CB 3.4Å; L392-L396 WeakPolarHBondContact O-CD1 3.47Å; L392-L396 VanDerWaalsContact O-CG 3.29Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 3.48Å; L392-L405 HydrophobicContact CD1-CD1 4.39Å |
| 393 | R | 94.6 | Very high | 91.1 | Very high | 197 Ų | 197 | 66 Ų | 66 | 74% | 0.743 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 176.9 | 175.2 | 177.4 | -97.1 | -175.1 | -6.1 | 111.8 | F389 D390 S395 L396 G397 | F389-R393 WeakPolarHBondContact O-CB 3.22Å; F389-R393 PolarHBondContact O-N 3.46Å; D390-R393 PolarHBondContact O-N 3.21Å; R393-S395 VanDerWaalsContact C-N 3.31Å; R393-S395 PolarHBondContact O-N 2.91Å; R393-L396 PolarHBondContact O-N 3.01Å; R393-G397 PolarHBondContact O-N 3.36Å |
| 394 | S | 92.2 | Very high | 91.3 | Very high | 46 Ų | 46 | 65.2 Ų | 65.2 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 175.7 | -174.2 | 0 | 0 | 0 | 0 | 111 | E82 D390 L396 G397 S398 | E82-S394 PolarHBondContact OE1-OG 3.26Å; D390-S394 WeakPolarHBondContact O-CB 3.29Å; D390-S394 PolarHBondContact O-N 3.05Å; S394-L396 PolarHBondContact O-N 3.44Å; S394-G397 PolarHBondContact O-N 2.95Å; S394-S398 PolarHBondContact O-N 3.33Å; S394-S398 VanDerWaalsContact O-N 3.08Å |
| 395 | S | 91.6 | Very high | 91.6 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.014 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 179.9 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | R359 A391 L392 R393 S398 | R359-S395 PolarHBondContact NH1-OG 3.42Å; A391-S395 WeakPolarHBondContact O-CB 3.47Å; A391-S395 PolarHBondContact O-N 3.37Å; A391-S395 PolarHBondContact O-OG 2.89Å; L392-S395 PolarHBondContact O-N 3.37Å; R393-S395 VanDerWaalsContact C-N 3.31Å; R393-S395 PolarHBondContact O-N 2.91Å; S395-S398 WeakPolarHBondContact O-CB 3.36Å; S395-S398 PolarHBondContact O-N 3.05Å; S395-S398 PolarHBondContact O-OG 2.85Å |
| 396 | L | 92.4 | Very high | 91.8 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.8 | -31.5 | 176.6 | -73.8 | 160.5 | 0 | 0 | 0 | 112.9 | L392 R393 S394 I402 | L392-L396 HydrophobicContact CD1-CD1 3.81Å; L392-L396 HydrophobicContact CD1-CG 4.21Å; L392-L396 HydrophobicContact CG-CD1 3.76Å; L392-L396 WeakPolarHBondContact O-CB 3.4Å; L392-L396 WeakPolarHBondContact O-CD1 3.47Å; L392-L396 VanDerWaalsContact O-CG 3.29Å; L392-L396 WeakPolarHBondContact O-CG 3.44Å; L392-L396 PolarHBondContact O-N 3.48Å; R393-L396 PolarHBondContact O-N 3.01Å; S394-L396 PolarHBondContact O-N 3.44Å; L396-I402 HydrophobicContact CD2-CB 4.37Å |
| 397 | G | 91.3 | Very high | 92 | Very high | 67 Ų | 67 | 58.2 Ų | 58.2 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -82.2 | -11.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R393 S394 | R393-G397 PolarHBondContact O-N 3.36Å; S394-G397 PolarHBondContact O-N 2.95Å |
| 398 | S | 89.6 | Confident | 92.2 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 20% | 0.196 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -63 | 153 | 175.6 | 77.6 | 0 | 0 | 0 | 0 | 111.2 | S394 S395 V400 G401 | S394-S398 PolarHBondContact O-N 3.33Å; S394-S398 VanDerWaalsContact O-N 3.08Å; S395-S398 WeakPolarHBondContact O-CB 3.36Å; S395-S398 PolarHBondContact O-N 3.05Å; S395-S398 PolarHBondContact O-OG 2.85Å; S398-V400 PolarHBondContact O-N 3.27Å; S398-V400 VanDerWaalsContact O-N 3.09Å; S398-G401 PolarHBondContact O-N 3.48Å; S398-G401 PolarHBondContact OG-N 2.92Å |
| 399 | P | 87.9 | Confident | 92.3 | Very high | 142 Ų | 142 | 57.5 Ų | 57.5 | 92% | 0.922 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.4 | 179.3 | 24.2 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 400 | V | 88.5 | Confident | 92.3 | Very high | 61 Ų | 61 | 49.4 Ų | 49.4 | 37% | 0.37 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -23.7 | 175.7 | -172 | 0 | 0 | 0 | 0 | 111.3 | L87 S398 L403 G404 | L87-V400 HydrophobicContact CD1-CG1 3.97Å; L87-V400 HydrophobicContact CD2-CG1 3.77Å; L87-V400 HydrophobicContact CG-CG1 4.48Å; S398-V400 PolarHBondContact O-N 3.27Å; S398-V400 VanDerWaalsContact O-N 3.09Å; V400-L403 HydrophobicContact CG1-CB 4.07Å; V400-G404 VanDerWaalsContact CG1-N 3.31Å |
| 401 | G | 89.5 | Confident | 92.4 | Very high | 17 Ų | 17 | 46.7 Ų | 46.7 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | 62 | -144.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S398 L403 G404 | S398-G401 PolarHBondContact O-N 3.48Å; S398-G401 PolarHBondContact OG-N 2.92Å; G401-L403 PolarHBondContact O-N 3.38Å; G401-L403 VanDerWaalsContact O-N 3.15Å; G401-G404 PolarHBondContact O-N 3.12Å |
| 402 | I | 90.6 | Very high | 92.6 | Very high | 103 Ų | 103 | 46.7 Ų | 46.7 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -61.2 | -26 | -175.7 | -158.8 | 163.6 | 0 | 0 | 0 | 113.5 | L396 G404 L405 | L396-I402 HydrophobicContact CD2-CB 4.37Å; I402-G404 PolarHBondContact O-N 3.38Å; I402-L405 HydrophobicContact CG1-CD1 4.24Å; I402-L405 WeakPolarHBondContact O-CB 3.31Å; I402-L405 PolarHBondContact O-N 2.87Å |
| 403 | L | 91.5 | Very high | 92.6 | Very high | 78 Ų | 78 | 47.4 Ų | 47.4 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -65.1 | -22.5 | 177.5 | -168.2 | 68.5 | 0 | 0 | 0 | 111.7 | L87 L89 V400 G401 L405 F406 | L87-L403 HydrophobicContact CD1-CD2 3.72Å; L87-L403 HydrophobicContact CD1-CG 3.95Å; L89-L403 HydrophobicContact CD1-CD1 4.29Å; L89-L403 HydrophobicContact CD1-CD2 4.27Å; L89-L403 HydrophobicContact CD1-CG 4.44Å; L89-L403 HydrophobicContact CD2-CD1 4.11Å; V400-L403 HydrophobicContact CG1-CB 4.07Å; G401-L403 PolarHBondContact O-N 3.38Å; G401-L403 VanDerWaalsContact O-N 3.15Å; L403-L405 PolarHBondContact O-N 3.36Å; L403-F406 PolarHBondContact O-N 2.92Å |
| 404 | G | 91.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 39.1 Ų | 39.1 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -68.5 | -13.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | R359 V400 G401 I402 K407 | R359-G404 PolarHBondContact NH2-O 3.39Å; V400-G404 VanDerWaalsContact CG1-N 3.31Å; G401-G404 PolarHBondContact O-N 3.12Å; I402-G404 PolarHBondContact O-N 3.38Å; G404-K407 WeakPolarHBondContact O-CG 3.23Å |
| 405 | L | 93.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -84.7 | -13.7 | 170.1 | -62.7 | 177 | 0 | 0 | 0 | 112.6 | Y351 P352 T355 L356 L392 I402 L403 K407 | Y351-L405 WeakPolarHBondContact CD1-O 3.38Å; Y351-L405 VanDerWaalsContact CE1-O 3.24Å; Y351-L405 WeakPolarHBondContact CE1-O 3.19Å; P352-L405 HydrophobicContact CB-CB 4.1Å; P352-L405 HydrophobicContact CB-CD1 3.86Å; T355-L405 HydrophobicContact CG2-CD2 3.97Å; T355-L405 PolarHBondContact OG1-O 3.04Å; L356-L405 HydrophobicContact CD1-CD1 4.5Å; L356-L405 HydrophobicContact CD2-CD2 3.83Å; L356-L405 HydrophobicContact CG-CD2 3.95Å; L392-L405 HydrophobicContact CD1-CD1 4.39Å; I402-L405 HydrophobicContact CG1-CD1 4.24Å; I402-L405 WeakPolarHBondContact O-CB 3.31Å; I402-L405 PolarHBondContact O-N 2.87Å; L403-L405 PolarHBondContact O-N 3.36Å; L405-K407 VanDerWaalsContact C-N 3.33Å |
| 406 | F | 94.6 | Very high | 93 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -96.9 | 21.3 | 176.1 | -71.9 | -89.1 | 0 | 0 | 0 | 112.6 | L89 Y351 P352 L403 G408 F409 | L89-F406 HydrophobicContact CD2-CB 4.06Å; Y351-F406 AromaticContact CD1-CD1 3.74Å; Y351-F406 HydrophobicContact CD1-CD1 3.74Å; Y351-F406 HydrophobicContact CD1-CE1 4.23Å; Y351-F406 HydrophobicContact CD1-CG 4.24Å; Y351-F406 HydrophobicContact CE1-CB 4.5Å; Y351-F406 HydrophobicContact CE1-CD1 4.39Å; Y351-F406 HydrophobicContact CG-CD1 4.09Å; Y351-F406 HydrophobicContact CG-CE1 4.25Å; P352-F406 HydrophobicContact CG-CE1 4.41Å; P352-F406 HydrophobicContact CG-CE2 3.8Å; P352-F406 HydrophobicContact CG-CZ 3.63Å; L403-F406 PolarHBondContact O-N 2.92Å; F406-G408 PolarHBondContact O-N 3.36Å; F406-F409 HydrophobicContact CB-CB 4.49Å; F406-F409 AromaticContact CD1-CD2 3.83Å; F406-F409 HydrophobicContact CD1-CD2 3.83Å; F406-F409 HydrophobicContact CD1-CE2 4.18Å; F406-F409 HydrophobicContact CD1-CG 4.46Å; F406-F409 HydrophobicContact CE1-CD2 4.49Å; F406-F409 HydrophobicContact CE1-CE2 4.43Å; F406-F409 VanDerWaalsContact O-CB 3.26Å; F406-F409 WeakPolarHBondContact O-CB 3.41Å; F406-F409 PolarHBondContact O-N 2.59Å |
| 407 | K | 93.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 134.1 | 175 | -74.7 | -171.8 | -173 | -167.1 | 0 | 110.7 | C78 Q79 L81 E82 S84 L87 Y351 G404 L405 F409 | C78-K407 HydrophobicContact CB-CB 4.48Å; Q79-K407 VanDerWaalsContact CG-O 3.31Å; Q79-K407 WeakPolarHBondContact CG-O 3.35Å; L81-K407 PolarHBondContact O-NZ 3.18Å; E82-K407 PolarHBondContact O-NZ 3.05Å; S84-K407 PolarHBondContact O-NZ 2.64Å; L87-K407 HydrophobicContact CD2-CD 4.23Å; L87-K407 HydrophobicContact CD2-CG 3.64Å; L87-K407 CarbonylContact O-C 3.52Å; L87-K407 WeakPolarHBondContact O-CA 3.23Å; Y351-K407 PolarHBondContact OH-O 3.41Å; G404-K407 WeakPolarHBondContact O-CG 3.23Å; L405-K407 VanDerWaalsContact C-N 3.33Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.86Å |
| 408 | G | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 10.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L87 H88 Y351 F406 G410 A411 | L87-G408 PolarHBondContact O-N 3.23Å; H88-G408 CarbonylContact O-C 3.6Å; Y351-G408 PolarHBondContact OH-O 2.99Å; F406-G408 PolarHBondContact O-N 3.36Å; G408-G410 PolarHBondContact O-N 3.34Å; G408-G410 VanDerWaalsContact O-N 3.08Å; G408-A411 VanDerWaalsContact O-CB 3.29Å; G408-A411 WeakPolarHBondContact O-CB 3.49Å; G408-A411 PolarHBondContact O-N 2.57Å |
| 409 | F | 95.6 | Very high | 93.2 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -27.1 | -178.3 | -170.5 | -101.1 | 0 | 0 | 0 | 112.9 | H88 L89 V348 Y351 F406 K407 A411 L412 I413 | H88-F409 PolarHBondContact O-N 3.04Å; L89-F409 HydrophobicContact CD2-CB 4.34Å; V348-F409 HydrophobicContact CG1-CZ 4.49Å; V348-F409 HydrophobicContact CG2-CE2 4.05Å; V348-F409 HydrophobicContact CG2-CZ 3.96Å; Y351-F409 HydrophobicContact CD1-CD2 4.49Å; Y351-F409 AromaticContact CD2-CD2 3.85Å; Y351-F409 HydrophobicContact CD2-CD2 3.85Å; Y351-F409 HydrophobicContact CD2-CE2 4.26Å; Y351-F409 HydrophobicContact CE1-CD2 4.48Å; Y351-F409 AromaticContact CE2-CD2 3.77Å; Y351-F409 HydrophobicContact CE2-CD2 3.77Å; Y351-F409 HydrophobicContact CG-CD2 4.19Å; Y351-F409 WeakPolarHBondContact OH-CA 3.44Å; Y351-F409 PolarHBondContact OH-N 2.9Å; Y351-F409 VanDerWaalsContact OH-N 3.11Å; F406-F409 HydrophobicContact CB-CB 4.49Å; F406-F409 AromaticContact CD1-CD2 3.83Å; F406-F409 HydrophobicContact CD1-CD2 3.83Å; F406-F409 HydrophobicContact CD1-CE2 4.18Å; F406-F409 HydrophobicContact CD1-CG 4.46Å; F406-F409 HydrophobicContact CE1-CD2 4.49Å; F406-F409 HydrophobicContact CE1-CE2 4.43Å; F406-F409 VanDerWaalsContact O-CB 3.26Å; F406-F409 WeakPolarHBondContact O-CB 3.41Å; F406-F409 PolarHBondContact O-N 2.59Å; K407-F409 VanDerWaalsContact C-N 3.3Å; K407-F409 PolarHBondContact O-N 2.86Å; F409-A411 PolarHBondContact O-N 2.83Å; F409-L412 HydrophobicContact CD2-CD2 4.03Å; F409-L412 HydrophobicContact CE2-CD2 3.63Å; F409-L412 HydrophobicContact CZ-CD2 4.27Å; F409-L412 VanDerWaalsContact O-CB 3.31Å; F409-L412 WeakPolarHBondContact O-CB 3.16Å; F409-L412 PolarHBondContact O-N 3.35Å; F409-I413 HydrophobicContact CD1-CD1 3.74Å; F409-I413 HydrophobicContact CD1-CG1 3.99Å; F409-I413 HydrophobicContact CE1-CD1 3.71Å; F409-I413 HydrophobicContact CE1-CG1 3.81Å; F409-I413 PolarHBondContact O-N 2.98Å; F409-I413 VanDerWaalsContact O-N 3.15Å |
| 410 | G | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.4 | -30.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | H88 L89 G408 I413 A414 | H88-G410 PolarHBondContact O-N 3.45Å; L89-G410 WeakPolarHBondContact O-CA 3.48Å; L89-G410 PolarHBondContact O-N 3.24Å; G408-G410 PolarHBondContact O-N 3.34Å; G408-G410 VanDerWaalsContact O-N 3.08Å; G410-I413 PolarHBondContact O-N 3.41Å; G410-A414 WeakPolarHBondContact O-CB 3.26Å; G410-A414 PolarHBondContact O-N 3.29Å |
| 411 | A | 95.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -37.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | F71 I74 R75 L94 G408 F409 A414 Q415 | F71-A411 WeakPolarHBondContact CD1-O 3.16Å; I74-A411 HydrophobicContact CB-CB 4.37Å; I74-A411 HydrophobicContact CG2-CB 4.02Å; R75-A411 HydrophobicContact CB-CB 3.88Å; L94-A411 HydrophobicContact CD1-CB 3.76Å; L94-A411 VanDerWaalsContact CD1-N 3.28Å; G408-A411 VanDerWaalsContact O-CB 3.29Å; G408-A411 WeakPolarHBondContact O-CB 3.49Å; G408-A411 PolarHBondContact O-N 2.57Å; F409-A411 PolarHBondContact O-N 2.83Å; A411-A414 PolarHBondContact O-N 3.47Å; A411-Q415 WeakPolarHBondContact O-CB 3.32Å; A411-Q415 PolarHBondContact O-N 3.49Å |
| 412 | L | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.1 | -171.8 | 73.4 | 0 | 0 | 0 | 110.9 | F344 D347 V348 Y351 F409 A414 Q415 Y416 | F344-L412 HydrophobicContact CE2-CD2 4.45Å; D347-L412 HydrophobicContact CB-CD1 3.86Å; D347-L412 HydrophobicContact CB-CD2 4.12Å; V348-L412 HydrophobicContact CG2-CD2 4.01Å; Y351-L412 HydrophobicContact CD2-CD2 3.92Å; Y351-L412 HydrophobicContact CE2-CB 4.27Å; Y351-L412 HydrophobicContact CE2-CD2 4.1Å; F409-L412 HydrophobicContact CD2-CD2 4.03Å; F409-L412 HydrophobicContact CE2-CD2 3.63Å; F409-L412 HydrophobicContact CZ-CD2 4.27Å; F409-L412 VanDerWaalsContact O-CB 3.31Å; F409-L412 WeakPolarHBondContact O-CB 3.16Å; F409-L412 PolarHBondContact O-N 3.35Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 2.76Å; L412-Q415 WeakPolarHBondContact O-CB 3.46Å; L412-Q415 PolarHBondContact O-N 2.78Å; L412-Y416 HydrophobicContact CD1-CD2 4.08Å; L412-Y416 HydrophobicContact CD1-CE2 3.67Å; L412-Y416 HydrophobicContact CG-CD2 4.14Å; L412-Y416 HydrophobicContact CG-CE2 4.15Å; L412-Y416 WeakPolarHBondContact O-CD2 3.33Å; L412-Y416 PolarHBondContact O-N 3.4Å; L412-Y416 VanDerWaalsContact O-N 3.14Å |
| 413 | I | 96.2 | Very high | 93.4 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 33% | 0.328 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 176.5 | -62.5 | 173.8 | 0 | 0 | 0 | 110.2 | P91 F409 G410 Q415 Y416 A417 | P91-I413 HydrophobicContact CG-CG2 4.45Å; F409-I413 HydrophobicContact CD1-CD1 3.74Å; F409-I413 HydrophobicContact CD1-CG1 3.99Å; F409-I413 HydrophobicContact CE1-CD1 3.71Å; F409-I413 HydrophobicContact CE1-CG1 3.81Å; F409-I413 PolarHBondContact O-N 2.98Å; F409-I413 VanDerWaalsContact O-N 3.15Å; G410-I413 PolarHBondContact O-N 3.41Å; I413-Q415 VanDerWaalsContact C-N 3.34Å; I413-Q415 PolarHBondContact O-N 3.35Å; I413-Y416 PolarHBondContact O-N 2.89Å; I413-A417 VanDerWaalsContact O-CB 3.25Å; I413-A417 WeakPolarHBondContact O-CB 3.24Å; I413-A417 PolarHBondContact O-N 2.8Å |
| 414 | A | 95.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 34.5 Ų | 34.5 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F71 P91 G410 A411 L412 A417 L418 | F71-A414 HydrophobicContact CD1-CB 3.73Å; F71-A414 HydrophobicContact CE1-CB 3.43Å; F71-A414 VanDerWaalsContact CE1-CB 3.43Å; F71-A414 HydrophobicContact CZ-CB 4.43Å; P91-A414 HydrophobicContact CB-CB 3.99Å; G410-A414 WeakPolarHBondContact O-CB 3.26Å; G410-A414 PolarHBondContact O-N 3.29Å; A411-A414 PolarHBondContact O-N 3.47Å; L412-A414 VanDerWaalsContact C-N 3.31Å; L412-A414 PolarHBondContact O-N 2.76Å; A414-A417 PolarHBondContact O-N 3.28Å; A414-L418 WeakPolarHBondContact O-CB 3.21Å; A414-L418 PolarHBondContact O-N 2.99Å |
| 415 | Q | 95.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 5% | 0.051 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.3 | -54.4 | 176.3 | -174.8 | -173 | -60.2 | 0 | 0 | 111.2 | F71 A411 L412 I413 L418 Q419 | F71-Q415 HydrophobicContact CB-CB 3.66Å; F71-Q415 HydrophobicContact CB-CG 4.07Å; F71-Q415 HydrophobicContact CD1-CB 4.28Å; F71-Q415 HydrophobicContact CD2-CB 3.89Å; F71-Q415 HydrophobicContact CD2-CG 4.02Å; F71-Q415 HydrophobicContact CG-CB 3.66Å; F71-Q415 HydrophobicContact CG-CG 4.2Å; A411-Q415 WeakPolarHBondContact O-CB 3.32Å; A411-Q415 PolarHBondContact O-N 3.49Å; L412-Q415 WeakPolarHBondContact O-CB 3.46Å; L412-Q415 PolarHBondContact O-N 2.78Å; I413-Q415 VanDerWaalsContact C-N 3.34Å; I413-Q415 PolarHBondContact O-N 3.35Å; Q415-L418 PolarHBondContact O-N 3.35Å; Q415-Q419 WeakPolarHBondContact O-CG 3.34Å; Q415-Q419 PolarHBondContact O-N 3.01Å |
| 416 | Y | 94.6 | Very high | 93 | Very high | 21 Ų | 21 | 39.9 Ų | 39.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.9 | -30.1 | -177.5 | -77.8 | -78.9 | 0 | 0 | 0 | 112.6 | M340 N343 F344 D347 L412 I413 Q419 A420 | M340-Y416 HydrophobicContact CG-CD1 3.83Å; M340-Y416 HydrophobicContact CG-CE1 4.15Å; N343-Y416 HydrophobicContact CB-CE1 4.11Å; N343-Y416 WeakPolarHBondContact CB-OH 3.4Å; N343-Y416 PolarHBondContact O-OH 3.46Å; F344-Y416 VanDerWaalsContact CA-CZ 3.46Å; F344-Y416 HydrophobicContact CB-CD1 3.83Å; F344-Y416 HydrophobicContact CB-CD2 4.26Å; F344-Y416 HydrophobicContact CB-CE1 3.72Å; F344-Y416 HydrophobicContact CB-CE2 4.15Å; F344-Y416 HydrophobicContact CB-CG 4.09Å; F344-Y416 HydrophobicContact CD2-CD1 4.34Å; F344-Y416 AromaticContact CD2-CD2 3.44Å; F344-Y416 HydrophobicContact CD2-CD2 3.44Å; F344-Y416 VanDerWaalsContact CD2-CD2 3.44Å; F344-Y416 AromaticContact CD2-CE2 3.83Å; F344-Y416 HydrophobicContact CD2-CE2 3.83Å; F344-Y416 AromaticContact CD2-CG 3.71Å; F344-Y416 HydrophobicContact CD2-CG 3.71Å; F344-Y416 HydrophobicContact CE2-CD2 4.25Å; F344-Y416 HydrophobicContact CG-CD1 4.48Å; F344-Y416 HydrophobicContact CG-CD2 4.3Å; F344-Y416 HydrophobicContact CG-CG 4.27Å; F344-Y416 PolarHBondContact N-OH 3.15Å; D347-Y416 VanDerWaalsContact OD2-CE2 3.3Å; D347-Y416 WeakPolarHBondContact OD2-CE2 3.42Å; D347-Y416 PolarHBondContact OD2-OH 3.36Å; L412-Y416 HydrophobicContact CD1-CD2 4.08Å; L412-Y416 HydrophobicContact CD1-CE2 3.67Å; L412-Y416 HydrophobicContact CG-CD2 4.14Å; L412-Y416 HydrophobicContact CG-CE2 4.15Å; L412-Y416 WeakPolarHBondContact O-CD2 3.33Å; L412-Y416 PolarHBondContact O-N 3.4Å; L412-Y416 VanDerWaalsContact O-N 3.14Å; I413-Y416 PolarHBondContact O-N 2.89Å; Y416-Q419 PolarHBondContact O-N 3.21Å; Y416-A420 WeakPolarHBondContact O-CB 3.35Å; Y416-A420 PolarHBondContact O-N 3.46Å |
| 417 | A | 94.3 | Very high | 92.6 | Very high | 58 Ų | 58 | 41 Ų | 41 | 48% | 0.479 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.7 | -42.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I413 A414 L421 | I413-A417 VanDerWaalsContact O-CB 3.25Å; I413-A417 WeakPolarHBondContact O-CB 3.24Å; I413-A417 PolarHBondContact O-N 2.8Å; A414-A417 PolarHBondContact O-N 3.28Å; A417-L421 VanDerWaalsContact O-CB 3.31Å; A417-L421 WeakPolarHBondContact O-CB 3.44Å; A417-L421 PolarHBondContact O-N 3.16Å |
| 418 | L | 93.2 | Very high | 92.2 | Very high | 65 Ų | 65 | 44.8 Ų | 44.8 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.3 | -44.1 | 175.9 | -176.1 | 69 | 0 | 0 | 0 | 111.6 | L67 F71 A414 Q415 L421 F422 | L67-L418 HydrophobicContact CD1-CD2 3.89Å; L67-L418 HydrophobicContact CG-CD2 4.44Å; F71-L418 HydrophobicContact CE2-CB 4.37Å; F71-L418 HydrophobicContact CE2-CD2 3.55Å; F71-L418 HydrophobicContact CZ-CB 4.29Å; F71-L418 HydrophobicContact CZ-CD2 3.84Å; A414-L418 WeakPolarHBondContact O-CB 3.21Å; A414-L418 PolarHBondContact O-N 2.99Å; Q415-L418 PolarHBondContact O-N 3.35Å; L418-L421 PolarHBondContact O-N 3.03Å; L418-F422 WeakPolarHBondContact O-CB 3.48Å; L418-F422 PolarHBondContact O-N 3.12Å |
| 419 | Q | 91.4 | Very high | 91.9 | Very high | 27 Ų | 27 | 49.7 Ų | 49.7 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.9 | -72.3 | 176.4 | -8.4 | 0 | 0 | 111.7 | L67 M340 Q415 Y416 F422 I423 | L67-Q419 HydrophobicContact CD2-CG 4.2Å; M340-Q419 HydrophobicContact SD-CB 3.99Å; Q415-Q419 WeakPolarHBondContact O-CG 3.34Å; Q415-Q419 PolarHBondContact O-N 3.01Å; Y416-Q419 PolarHBondContact O-N 3.21Å; Q419-F422 WeakPolarHBondContact O-CB 3.36Å; Q419-F422 PolarHBondContact O-N 3.47Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.23Å |
| 420 | A | 91.3 | Very high | 91.4 | Very high | 19 Ų | 19 | 50.2 Ų | 50.2 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -46.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | M340 Y416 F422 I423 F424 | M340-A420 HydrophobicContact CE-CB 3.76Å; M340-A420 HydrophobicContact SD-CB 4.05Å; Y416-A420 WeakPolarHBondContact O-CB 3.35Å; Y416-A420 PolarHBondContact O-N 3.46Å; A420-F422 VanDerWaalsContact C-N 3.28Å; A420-F422 PolarHBondContact O-N 2.58Å; A420-I423 PolarHBondContact O-N 3.45Å; A420-F424 HydrophobicContact CB-CD2 4.35Å; A420-F424 HydrophobicContact CB-CE2 4.24Å; A420-F424 WeakPolarHBondContact O-CD2 3.32Å; A420-F424 PolarHBondContact O-N 3.05Å |
| 421 | L | 92.4 | Very high | 90.7 | Very high | 117 Ų | 117 | 54 Ų | 54 | 61% | 0.613 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -58.9 | -39.9 | 176 | 179.7 | 63.9 | 0 | 0 | 0 | 111.9 | A417 L418 F424 G425 | A417-L421 VanDerWaalsContact O-CB 3.31Å; A417-L421 WeakPolarHBondContact O-CB 3.44Å; A417-L421 PolarHBondContact O-N 3.16Å; L418-L421 PolarHBondContact O-N 3.03Å; L421-F424 PolarHBondContact O-N 2.99Å; L421-G425 PolarHBondContact O-N 3.1Å |
| 422 | F | 89.9 | Confident | 90.1 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 176.2 | -177.5 | -103.1 | 0 | 0 | 0 | 111.6 | L67 L418 Q419 A420 G425 I426 | L67-F422 HydrophobicContact CD2-CB 4.48Å; L67-F422 HydrophobicContact CD2-CD1 4.38Å; L67-F422 HydrophobicContact CD2-CG 4.32Å; L418-F422 WeakPolarHBondContact O-CB 3.48Å; L418-F422 PolarHBondContact O-N 3.12Å; Q419-F422 WeakPolarHBondContact O-CB 3.36Å; Q419-F422 PolarHBondContact O-N 3.47Å; A420-F422 VanDerWaalsContact C-N 3.28Å; A420-F422 PolarHBondContact O-N 2.58Å; F422-G425 PolarHBondContact O-N 2.89Å; F422-I426 HydrophobicContact CD1-CD1 3.72Å; F422-I426 HydrophobicContact CE1-CD1 3.28Å; F422-I426 HydrophobicContact CE1-CG1 4.36Å; F422-I426 HydrophobicContact CE2-CD1 4.39Å; F422-I426 HydrophobicContact CG-CD1 4.45Å; F422-I426 HydrophobicContact CZ-CD1 3.66Å; F422-I426 HydrophobicContact CZ-CG1 4.42Å; F422-I426 WeakPolarHBondContact O-CG1 3.41Å; F422-I426 PolarHBondContact O-N 3.3Å |
| 423 | I | 87.1 | Confident | 89.5 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 176.4 | -69.4 | 170.4 | 0 | 0 | 0 | 111 | Y333 M340 Q419 A420 G425 I426 R427 | Y333-I423 HydrophobicContact CD2-CG2 3.98Å; Y333-I423 HydrophobicContact CE2-CG2 3.28Å; M340-I423 HydrophobicContact CB-CD1 4.47Å; M340-I423 HydrophobicContact CE-CD1 4.34Å; M340-I423 HydrophobicContact SD-CD1 3.76Å; Q419-I423 WeakPolarHBondContact O-CG1 3.41Å; Q419-I423 PolarHBondContact O-N 3.23Å; A420-I423 PolarHBondContact O-N 3.45Å; I423-G425 VanDerWaalsContact C-N 3.32Å; I423-G425 PolarHBondContact O-N 3.23Å; I423-I426 PolarHBondContact O-N 2.98Å; I423-R427 PolarHBondContact O-N 2.87Å |
| 424 | F | 89.7 | Confident | 88.5 | Confident | 107 Ų | 107 | 63.6 Ų | 63.6 | 47% | 0.469 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 175.1 | -76.4 | -62 | 0 | 0 | 0 | 112.2 | Y333 F337 A420 L421 R427 C428 | Y333-F424 WeakPolarHBondContact OH-CD1 3.35Å; Y333-F424 WeakPolarHBondContact OH-CE1 3.42Å; F337-F424 HydrophobicContact CE2-CE2 4.33Å; F337-F424 HydrophobicContact CE2-CZ 4.08Å; A420-F424 HydrophobicContact CB-CD2 4.35Å; A420-F424 HydrophobicContact CB-CE2 4.24Å; A420-F424 WeakPolarHBondContact O-CD2 3.32Å; A420-F424 PolarHBondContact O-N 3.05Å; L421-F424 PolarHBondContact O-N 2.99Å; F424-R427 PolarHBondContact O-N 3.31Å; F424-C428 WeakPolarHBondContact O-CB 3.43Å; F424-C428 PolarHBondContact O-N 3.38Å |
| 425 | G | 89.6 | Confident | 87.4 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L421 F422 I423 R427 C428 L429 | L421-G425 PolarHBondContact O-N 3.1Å; F422-G425 PolarHBondContact O-N 2.89Å; I423-G425 VanDerWaalsContact C-N 3.32Å; I423-G425 PolarHBondContact O-N 3.23Å; G425-R427 VanDerWaalsContact C-N 3.3Å; G425-R427 PolarHBondContact O-N 3.29Å; G425-C428 PolarHBondContact O-N 2.94Å; G425-L429 WeakPolarHBondContact O-CB 3.03Å; G425-L429 PolarHBondContact O-N 2.75Å |
| 426 | I | 87.3 | Confident | 86.7 | Confident | 81 Ų | 81 | 72.4 Ų | 72.4 | 42% | 0.415 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 172.9 | -71 | 168.1 | 0 | 0 | 0 | 110.6 | F422 I423 L429 Y430 | F422-I426 HydrophobicContact CD1-CD1 3.72Å; F422-I426 HydrophobicContact CE1-CD1 3.28Å; F422-I426 HydrophobicContact CE1-CG1 4.36Å; F422-I426 HydrophobicContact CE2-CD1 4.39Å; F422-I426 HydrophobicContact CG-CD1 4.45Å; F422-I426 HydrophobicContact CZ-CD1 3.66Å; F422-I426 HydrophobicContact CZ-CG1 4.42Å; F422-I426 WeakPolarHBondContact O-CG1 3.41Å; F422-I426 PolarHBondContact O-N 3.3Å; I423-I426 PolarHBondContact O-N 2.98Å; I426-L429 PolarHBondContact O-N 2.99Å; I426-Y430 WeakPolarHBondContact O-CB 3.48Å; I426-Y430 PolarHBondContact O-N 3.49Å |
| 427 | R | 86.1 | Confident | 85.6 | Confident | 74 Ų | 74 | 81.4 Ų | 81.4 | 28% | 0.279 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.7 | 173.1 | 168 | -176.1 | 141.9 | 9.1 | 112.9 | Y329 Y333 I423 F424 G425 L429 Y430 E431 | Y329-R427 WeakPolarHBondContact OH-CA 3.22Å; Y329-R427 WeakPolarHBondContact OH-CB 3.34Å; Y329-R427 VanDerWaalsContact OH-CG 3.25Å; Y329-R427 WeakPolarHBondContact OH-CG 3.49Å; Y333-R427 HydrophobicContact CD2-CB 4.11Å; Y333-R427 HydrophobicContact CE2-CB 3.59Å; Y333-R427 HydrophobicContact CE2-CG 4.19Å; I423-R427 PolarHBondContact O-N 2.87Å; F424-R427 PolarHBondContact O-N 3.31Å; G425-R427 VanDerWaalsContact C-N 3.3Å; G425-R427 PolarHBondContact O-N 3.29Å; R427-L429 VanDerWaalsContact C-N 3.29Å; R427-L429 PolarHBondContact O-N 2.85Å; R427-Y430 PolarHBondContact O-N 3.03Å; R427-E431 HydrophobicContact CG-CG 4.45Å; R427-E431 WeakPolarHBondContact CG-OE1 3.38Å; R427-E431 IonicContact CZ-OE1 3.68Å; R427-E431 IonicContact NE-OE1 3.84Å; R427-E431 PolarHBondContact NE-OE1 3.09Å; R427-E431 IonicContact NH2-OE1 2.71Å; R427-E431 PolarHBondContact NH2-OE1 3.27Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.14Å |
| 428 | C | 86.3 | Confident | 84.3 | Confident | 82 Ų | 82 | 81.8 Ų | 81.8 | 55% | 0.554 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 176.8 | -174 | 0 | 0 | 0 | 0 | 111.6 | F424 G425 H432 | F424-C428 WeakPolarHBondContact O-CB 3.43Å; F424-C428 PolarHBondContact O-N 3.38Å; G425-C428 PolarHBondContact O-N 2.94Å; C428-H432 VanDerWaalsContact O-CB 3.31Å; C428-H432 WeakPolarHBondContact O-CB 3.15Å; C428-H432 PolarHBondContact O-N 3.29Å |
| 429 | L | 87.6 | Confident | 82.6 | Confident | 103 Ų | 103 | 83.5 Ų | 83.5 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 175.1 | 179.3 | 63.8 | 0 | 0 | 0 | 111.7 | G425 I426 R427 H432 L433 | G425-L429 WeakPolarHBondContact O-CB 3.03Å; G425-L429 PolarHBondContact O-N 2.75Å; I426-L429 PolarHBondContact O-N 2.99Å; R427-L429 VanDerWaalsContact C-N 3.29Å; R427-L429 PolarHBondContact O-N 2.85Å; L429-H432 PolarHBondContact O-N 3.38Å; L429-L433 HydrophobicContact CD1-CD1 4.21Å; L429-L433 HydrophobicContact CD1-CG 4.26Å; L429-L433 HydrophobicContact CG-CD1 3.98Å; L429-L433 HydrophobicContact CG-CG 4.44Å; L429-L433 WeakPolarHBondContact O-CB 3.23Å; L429-L433 VanDerWaalsContact O-CG 3.25Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 3.09Å |
| 430 | Y | 83.9 | Confident | 80.8 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 19% | 0.188 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -63 | -48.1 | 178.8 | 178.6 | -99.5 | 0 | 0 | 0 | 111.8 | L325 Y329 I426 R427 H432 L433 L434 | L325-Y430 VanDerWaalsContact CD2-OH 3.22Å; L325-Y430 WeakPolarHBondContact CD2-OH 3.48Å; Y329-Y430 AromaticContact CD1-CD1 3.82Å; Y329-Y430 HydrophobicContact CD1-CD1 3.82Å; Y329-Y430 AromaticContact CD1-CE1 3.47Å; Y329-Y430 HydrophobicContact CD1-CE1 3.47Å; Y329-Y430 VanDerWaalsContact CD1-CE1 3.47Å; Y329-Y430 AromaticContact CD2-CD1 3.55Å; Y329-Y430 HydrophobicContact CD2-CD1 3.55Å; Y329-Y430 HydrophobicContact CD2-CD2 4.09Å; Y329-Y430 AromaticContact CD2-CE1 3.4Å; Y329-Y430 HydrophobicContact CD2-CE1 3.4Å; Y329-Y430 AromaticContact CD2-CE2 3.98Å; Y329-Y430 HydrophobicContact CD2-CE2 3.98Å; Y329-Y430 AromaticContact CD2-CG 3.88Å; Y329-Y430 HydrophobicContact CD2-CG 3.88Å; Y329-Y430 AromaticContact CD2-CZ 3.64Å; Y329-Y430 AromaticContact CE1-CD1 3.64Å; Y329-Y430 HydrophobicContact CE1-CD1 3.64Å; Y329-Y430 AromaticContact CE1-CE1 3.81Å; Y329-Y430 HydrophobicContact CE1-CE1 3.81Å; Y329-Y430 AromaticContact CE2-CD1 3.35Å; Y329-Y430 HydrophobicContact CE2-CD1 3.35Å; Y329-Y430 HydrophobicContact CE2-CD2 4.11Å; Y329-Y430 AromaticContact CE2-CE1 3.74Å; Y329-Y430 HydrophobicContact CE2-CE1 3.74Å; Y329-Y430 HydrophobicContact CE2-CE2 4.46Å; Y329-Y430 AromaticContact CE2-CG 3.54Å; Y329-Y430 HydrophobicContact CE2-CG 3.54Å; Y329-Y430 AromaticContact CG-CD1 3.78Å; Y329-Y430 HydrophobicContact CG-CD1 3.78Å; Y329-Y430 AromaticContact CG-CE1 3.26Å; Y329-Y430 HydrophobicContact CG-CE1 3.26Å; Y329-Y430 HydrophobicContact CG-CE2 4.45Å; Y329-Y430 AromaticContact CG-CZ 3.66Å; Y329-Y430 AromaticContact CZ-CD1 3.41Å; Y329-Y430 VanDerWaalsContact CZ-CD1 3.41Å; Y329-Y430 AromaticContact CZ-CE1 3.95Å; Y329-Y430 AromaticContact CZ-CG 3.95Å; I426-Y430 WeakPolarHBondContact O-CB 3.48Å; I426-Y430 PolarHBondContact O-N 3.49Å; R427-Y430 PolarHBondContact O-N 3.03Å; Y430-H432 VanDerWaalsContact C-N 3.29Å; Y430-H432 PolarHBondContact O-N 3.38Å; Y430-L433 PolarHBondContact O-N 3.07Å; Y430-L434 HydrophobicContact CD1-CD1 3.77Å; Y430-L434 HydrophobicContact CD1-CG 4.27Å; Y430-L434 HydrophobicContact CE1-CD1 3.18Å; Y430-L434 HydrophobicContact CE1-CG 3.89Å; Y430-L434 HydrophobicContact CE2-CD1 4.43Å; Y430-L434 HydrophobicContact CE2-CD2 4.45Å; Y430-L434 HydrophobicContact CE2-CG 4.33Å; Y430-L434 WeakPolarHBondContact O-CG 2.89Å; Y430-L434 PolarHBondContact O-N 2.83Å |
| 431 | E | 80.9 | Confident | 78.9 | Confident | 81 Ų | 81 | 92.4 Ų | 92.4 | 38% | 0.379 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -40.5 | 175.6 | -70.9 | 172.6 | -174.9 | 0 | 0 | 111.2 | R427 L434 C435 | R427-E431 HydrophobicContact CG-CG 4.45Å; R427-E431 WeakPolarHBondContact CG-OE1 3.38Å; R427-E431 IonicContact CZ-OE1 3.68Å; R427-E431 IonicContact NE-OE1 3.84Å; R427-E431 PolarHBondContact NE-OE1 3.09Å; R427-E431 IonicContact NH2-OE1 2.71Å; R427-E431 PolarHBondContact NH2-OE1 3.27Å; R427-E431 WeakPolarHBondContact O-CG 3.33Å; R427-E431 PolarHBondContact O-N 3.14Å; E431-L434 PolarHBondContact O-N 3.41Å; E431-C435 PolarHBondContact O-N 3.48Å; E431-C435 PolarHBondContact O-SG 3.48Å; E431-C435 VanDerWaalsContact O-SG 3.33Å |
| 432 | H | 83.6 | Confident | 76.8 | Confident | 112 Ų | 112 | 92.9 Ų | 92.9 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 176 | -169.8 | 63.6 | 0 | 0 | 0 | 112.9 | C428 L429 Y430 C435 L436 | C428-H432 VanDerWaalsContact O-CB 3.31Å; C428-H432 WeakPolarHBondContact O-CB 3.15Å; C428-H432 PolarHBondContact O-N 3.29Å; L429-H432 PolarHBondContact O-N 3.38Å; Y430-H432 VanDerWaalsContact C-N 3.29Å; Y430-H432 PolarHBondContact O-N 3.38Å; H432-C435 PolarHBondContact O-N 3.15Å; H432-L436 WeakPolarHBondContact O-CG 3.47Å; H432-L436 PolarHBondContact O-N 2.84Å |
| 433 | L | 83.4 | Confident | 74.5 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -39.6 | 176.6 | -73 | 171.6 | 0 | 0 | 0 | 111.7 | L429 Y430 L436 W437 | L429-L433 HydrophobicContact CD1-CD1 4.21Å; L429-L433 HydrophobicContact CD1-CG 4.26Å; L429-L433 HydrophobicContact CG-CD1 3.98Å; L429-L433 HydrophobicContact CG-CG 4.44Å; L429-L433 WeakPolarHBondContact O-CB 3.23Å; L429-L433 VanDerWaalsContact O-CG 3.25Å; L429-L433 WeakPolarHBondContact O-CG 3.48Å; L429-L433 PolarHBondContact O-N 3.09Å; Y430-L433 PolarHBondContact O-N 3.07Å; L433-L436 PolarHBondContact O-N 3.5Å; L433-W437 WeakPolarHBondContact O-CB 3.03Å; L433-W437 PolarHBondContact O-N 2.98Å |
| 434 | L | 75.2 | Confident | 72.2 | Confident | 59 Ų | 59 | 101 Ų | 101 | 31% | 0.309 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63 | -42.3 | 174.3 | -74.8 | -179.3 | 0 | 0 | 0 | 112 | L325 Y430 E431 L436 W437 A438 | L325-L434 HydrophobicContact CD2-CD2 4.27Å; Y430-L434 HydrophobicContact CD1-CD1 3.77Å; Y430-L434 HydrophobicContact CD1-CG 4.27Å; Y430-L434 HydrophobicContact CE1-CD1 3.18Å; Y430-L434 HydrophobicContact CE1-CG 3.89Å; Y430-L434 HydrophobicContact CE2-CD1 4.43Å; Y430-L434 HydrophobicContact CE2-CD2 4.45Å; Y430-L434 HydrophobicContact CE2-CG 4.33Å; Y430-L434 WeakPolarHBondContact O-CG 2.89Å; Y430-L434 PolarHBondContact O-N 2.83Å; E431-L434 PolarHBondContact O-N 3.41Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 3.31Å; L434-W437 PolarHBondContact O-N 3Å; L434-A438 PolarHBondContact O-N 2.99Å |
| 435 | C | 72.8 | Confident | 69.7 | Low | 98 Ų | 98 | 103.2 Ų | 103.2 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.8 | -36.3 | 175.8 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | E431 H432 W437 | E431-C435 PolarHBondContact O-N 3.48Å; E431-C435 PolarHBondContact O-SG 3.48Å; E431-C435 VanDerWaalsContact O-SG 3.33Å; H432-C435 PolarHBondContact O-N 3.15Å; C435-W437 VanDerWaalsContact C-N 3.31Å |
| 436 | L | 80.1 | Confident | 66.9 | Low | 122 Ų | 122 | 106.8 Ų | 106.8 | 64% | 0.639 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.6 | -27.7 | 176 | -72.6 | 169.1 | 0 | 0 | 0 | 112.7 | H432 L433 L434 A438 | H432-L436 WeakPolarHBondContact O-CG 3.47Å; H432-L436 PolarHBondContact O-N 2.84Å; L433-L436 PolarHBondContact O-N 3.5Å; L434-L436 VanDerWaalsContact C-N 3.31Å; L434-L436 PolarHBondContact O-N 3.31Å; L436-A438 VanDerWaalsContact C-N 3.31Å |
| 437 | W | 72.1 | Confident | 64.4 | Low | 209 Ų | 209 | 112.9 Ų | 112.9 | 79% | 0.792 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -2 | 179.4 | -168 | -91.6 | 0 | 0 | 0 | 113.5 | L433 L434 C435 P439 | L433-W437 WeakPolarHBondContact O-CB 3.03Å; L433-W437 PolarHBondContact O-N 2.98Å; L434-W437 PolarHBondContact O-N 3Å; C435-W437 VanDerWaalsContact C-N 3.31Å; W437-P439 WeakPolarHBondContact O-CD 3.49Å; W437-P439 VanDerWaalsContact O-N 3.11Å |
| 438 | A | 66.3 | Low | 61.8 | Low | 67 Ų | 67 | 114.7 Ų | 114.7 | 55% | 0.554 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 121.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L434 L436 | L434-A438 PolarHBondContact O-N 2.99Å; L436-A438 VanDerWaalsContact C-N 3.31Å |
| 439 | P | 57.5 | Low | 59.4 | Low | 101 Ų | 101 | 119.1 Ų | 119.1 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.9 | -175.3 | 22.1 | -31.1 | 0 | 0 | 0 | 110.6 | W437 | W437-P439 WeakPolarHBondContact O-CD 3.49Å; W437-P439 VanDerWaalsContact O-N 3.11Å |
| 440 | P | 52.9 | Low | 56.7 | Low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.4 | -179.2 | 24.2 | -32.6 | 0 | 0 | 0 | 110 | T442 | P440-T442 PolarHBondContact O-N 3.14Š|
| 441 | P | 52.6 | Low | 54.4 | Low | 119 Ų | 119 | 122.4 Ų | 122.4 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 126.3 | 175.3 | 23.4 | -31.3 | 0 | 0 | 0 | 108.9 | D443 | P441-D443 PolarHBondContact O-N 3.01Š|
| 442 | T | 47.6 | Very low | 52.4 | Low | 127 Ų | 127 | 122.7 Ų | 122.7 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | trans | -63.2 | 109.8 | 169.5 | 39.5 | 0 | 0 | 0 | 0 | 108.1 | P440 N444 | P440-T442 PolarHBondContact O-N 3.14Å; T442-N444 PolarHBondContact O-N 2.94Å | ||
| 443 | D | 41.9 | Very low | 50 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 70% | 0.7 | S | S | * | * | trans | -71.2 | 78.9 | -179.8 | -139.1 | 5.6 | 0 | 0 | 0 | 108.5 | P441 K445 | P441-D443 PolarHBondContact O-N 3.01Å; D443-K445 PolarHBondContact O-N 3.27Å; D443-K445 IonicContact OD1-NZ 3.83Å | ||
| 444 | N | 38.5 | Very low | 47.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 87% | 0.866 | 71% | 0.712 | S | S | * | * | trans | -75 | 67.1 | 164.9 | -89 | -16.5 | 0 | 0 | 0 | 108.8 | T442 | T442-N444 PolarHBondContact O-N 2.94Š| ||
| 445 | K | 37.7 | Very low | 45.9 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | trans | -98.8 | 119.8 | 169 | -94.8 | 180 | -171.9 | 157.4 | 0 | 109.6 | D443 | D443-K445 PolarHBondContact O-N 3.27Å; D443-K445 IonicContact OD1-NZ 3.83Å | ||
| 446 | V | 31.7 | Very low | 44.3 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 68% | 0.679 | 75% | 0.747 | S | S | * | * | trans | 78.2 | 89 | 151.4 | -168 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 447 | Y | 33.1 | Very low | 42.3 | Very low | 209 Ų | 209 | 135.5 Ų | 135.5 | 82% | 0.82 | 75% | 0.749 | S | S | * | * | -147 | 73.5 | 121.7 | -94.6 | -74.5 | 0 | 0 | 0 | 108.9 | K449 | Y447-K449 HydrophobicContact CD1-CG 4.47Å; Y447-K449 PolarHBondContact O-N 2.93Å | |||
| 448 | S | 32.5 | Very low | 40.7 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | trans | -68.9 | 81.8 | 146.9 | 56.3 | 0 | 0 | 0 | 0 | 107 | S450 | S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 3.41Å | ||
| 449 | K | 36.1 | Very low | 39.3 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -78.4 | 89.4 | 165.2 | -134.9 | 177.1 | -171.1 | 177.3 | 0 | 106.5 | Y447 S451 | Y447-K449 HydrophobicContact CD1-CG 4.47Å; Y447-K449 PolarHBondContact O-N 2.93Å; K449-S451 VanDerWaalsContact C-N 3.3Å; K449-S451 PolarHBondContact O-N 2.89Å | ||
| 450 | S | 31.4 | Very low | 38.4 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -57.4 | 100 | 154.6 | 58.6 | 0 | 0 | 0 | 0 | 106.9 | S448 S452 | S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 3.41Å; S450-S452 PolarHBondContact O-N 3.11Å | ||
| 451 | S | 35.5 | Very low | 37.8 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 88% | 0.881 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 75.5 | 164.9 | -170.3 | 0 | 0 | 0 | 0 | 108 | K449 | K449-S451 VanDerWaalsContact C-N 3.3Å; K449-S451 PolarHBondContact O-N 2.89Å | ||
| 452 | S | 38.8 | Very low | 37.1 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | trans | -98.3 | 120.9 | 155.2 | 49.7 | 0 | 0 | 0 | 0 | 106.7 | S450 | S450-S452 PolarHBondContact O-N 3.11Š| ||
| 453 | R | 32.7 | Very low | 36.7 | Very low | 241 Ų | 241 | 137.2 Ų | 137.2 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -34.3 | 135.3 | 173 | -75.5 | 174.2 | 169.6 | 170.6 | -4.7 | 113.3 | ||||
| 454 | P | 38.6 | Very low | 36.6 | Very low | 118 Ų | 118 | 139.7 Ų | 139.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | -111.8 | 126.4 | 155.1 | 31.3 | -18.2 | 0 | 0 | 0 | 111.1 | ||||
| 455 | N | 33.1 | Very low | 36.7 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -68.1 | 137.8 | 162.5 | -74 | -26.2 | 0 | 0 | 0 | 109.6 | ||||
| 456 | V | 40.7 | Very low | 36.8 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -143.2 | 126.3 | 153.7 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 457 | S | 36.3 | Very low | 37.2 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -71 | 155.7 | 173.1 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 458 | T | 38.7 | Very low | 37.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | -179.2 | 124.2 | 124.6 | 27.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 459 | A | 37.9 | Very low | 37.8 | Very low | 95 Ų | 95 | 129 Ų | 129 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 62.1 | 143.6 | 139 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 460 | F | 37.6 | Very low | 38 | Very low | 169 Ų | 169 | 128 Ų | 128 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | cis | -170.2 | 148.8 | 10.8 | -161.9 | -111.5 | 0 | 0 | 0 | 107.8 | ||||
| 461 | E | 41.1 | Very low | 38.6 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 7.1 | 147.3 | 156.8 | -55.2 | 176.9 | 168.7 | 0 | 0 | 120.8 | ||||
| 462 | G | 38.7 | Very low | 38.8 | Very low | 66 Ų | 66 | 128.7 Ų | 128.7 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 165.5 | 179.2 | 14.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 463 | L | 37.9 | Very low | 38.7 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | 82 | 103.8 | 171.4 | -72.8 | 133.7 | 0 | 0 | 0 | 118.1 | ||||
| 464 | E | 40.7 | Very low | 38.9 | Very low | 173 Ų | 173 | 123.7 Ų | 123.7 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | 75.8 | 137.3 | 96.7 | -81.8 | -167.4 | 154.4 | 0 | 0 | 113.1 | |||||
| 465 | S | 40 | Very low | 38.9 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | cis | -169.1 | 144.9 | 0.9 | 59.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 466 | I | 38.8 | Very low | 39 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | 44.2 | 112.5 | 136.3 | -54.7 | 166.8 | 0 | 0 | 0 | 119.8 | ||||
| 467 | A | 40.5 | Very low | 38.7 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | 158.2 | 116.1 | 110.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 468 | A | 41.4 | Very low | 38.5 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | 57.4 | 127.2 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 469 | G | 37.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 146.7 | 85.1 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 470 | D | 39.2 | Very low | 38.5 | Very low | 154 Ų | 154 | 134.5 Ų | 134.5 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | 43 | 105.6 | 147.2 | -66.2 | -17.5 | 0 | 0 | 0 | 122.7 | ||||
| 471 | S | 43.8 | Very low | 38.6 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | 55.7 | 149.6 | 112.8 | 103.9 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 472 | P | 40.4 | Very low | 38.4 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | -125.5 | 152 | -118.1 | 37.6 | -22.4 | 0 | 0 | 0 | 115 | |||||
| 473 | S | 36.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -160.8 | 154.3 | 146.3 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | T | 36.9 | Very low | 38.4 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | 76.3 | 115.9 | 155.9 | 27.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 475 | V | 38.6 | Very low | 38.3 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | 97.5 | 121.5 | 119.6 | 171 | 0 | 0 | 0 | 0 | 117 | |||||
| 476 | D | 35.3 | Very low | 38.1 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | trans | 86.3 | 117.7 | 149.2 | -63.6 | -11.4 | 0 | 0 | 0 | 121.3 | ||||
| 477 | N | 34.5 | Very low | 38.1 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 56.6 | 101.4 | 129.3 | -64.4 | -28.1 | 0 | 0 | 0 | 116.9 | |||||
| 478 | W | 32.5 | Very low | 37.8 | Very low | 330 Ų | 330 | 135.6 Ų | 135.6 | 100% | 1.25 | 80% | 0.801 | S | S | * | * | -138.6 | 0 | 117 | -88 | 81.3 | 0 | 0 | 0 | 109.6 |
Retrieved 478 of 478 residues in 121.3 ms
(Link to these results)