| 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 | 25 | Very low | 29.2 | Very low | 246 Ų | 246 | 107.5 Ų | 107.5 | 100% | 1.212 | 62% | 0.623 | S | S | * | * | 0 | 85.2 | 0 | -70.5 | 174.5 | 173.6 | 0 | 0 | 106.3 | |||||
| 2 | V | 31.4 | Very low | 29.1 | Very low | 143 Ų | 143 | 108.4 Ų | 108.4 | 87% | 0.867 | 63% | 0.631 | S | S | * | * | trans | -112.1 | 123.7 | 179.4 | 177.6 | 0 | 0 | 0 | 0 | 105 | E4 | V2-E4 PolarHBondContact O-N 3.07Š| ||
| 3 | N | 26.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 106.6 Ų | 106.6 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | trans | -50.7 | 131.3 | -169.6 | -93.9 | -14.1 | 0 | 0 | 0 | 112.7 | S5 | N3-S5 PolarHBondContact O-N 2.97Š| ||
| 4 | E | 29.6 | Very low | 28.9 | Very low | 188 Ų | 188 | 106.8 Ų | 106.8 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 19.4 | 174.2 | -66.9 | 172.1 | 143.5 | 0 | 0 | 113.8 | V2 | V2-E4 PolarHBondContact O-N 3.07Š|
| 5 | S | 31.4 | Very low | 28.8 | Very low | 54 Ų | 54 | 108.8 Ų | 108.8 | 38% | 0.378 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.8 | -18.8 | -172.9 | 54.2 | 0 | 0 | 0 | 0 | 115 | N3 V7 S8 | N3-S5 PolarHBondContact O-N 2.97Å; S5-V7 PolarHBondContact O-N 2.76Å; S5-S8 VanDerWaalsContact O-CB 3.28Å; S5-S8 WeakPolarHBondContact O-CB 3.47Å; S5-S8 PolarHBondContact O-N 3.49Å |
| 6 | A | 30.3 | Very low | 28.9 | Very low | 54 Ų | 54 | 108 Ų | 108 | 45% | 0.446 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -3.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S8 E29 | A6-S8 PolarHBondContact O-N 3.48Å; A6-E29 WeakPolarHBondContact CA-OE2 3.49Å; A6-E29 HydrophobicContact CB-CB 4.29Å |
| 7 | V | 31.6 | Very low | 28.9 | Very low | 77 Ų | 77 | 105.6 Ų | 105.6 | 47% | 0.467 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | 0.6 | 173.7 | -175 | 0 | 0 | 0 | 0 | 111.4 | S5 A9 Q282 | S5-V7 PolarHBondContact O-N 2.76Å; V7-A9 PolarHBondContact O-N 3.44Å; V7-Q282 HydrophobicContact CG1-CB 3.95Å; V7-Q282 HydrophobicContact CG1-CG 3.88Å |
| 8 | S | 30 | Very low | 29 | Very low | 52 Ų | 52 | 111.6 Ų | 111.6 | 36% | 0.364 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -86.9 | 9.4 | -169.8 | -167.3 | 0 | 0 | 0 | 0 | 116.7 | S5 A6 V10 T11 | S5-S8 VanDerWaalsContact O-CB 3.28Å; S5-S8 WeakPolarHBondContact O-CB 3.47Å; S5-S8 PolarHBondContact O-N 3.49Å; A6-S8 PolarHBondContact O-N 3.48Å; S8-V10 PolarHBondContact O-N 2.93Å; S8-V10 VanDerWaalsContact O-N 3.08Å; S8-T11 PolarHBondContact O-N 3.26Å; S8-T11 PolarHBondContact O-OG1 2.86Å; S8-T11 WeakPolarHBondContact OG-CG2 3.43Å; S8-T11 PolarHBondContact OG-OG1 3.31Å |
| 9 | A | 30.3 | Very low | 29.1 | Very low | 44 Ų | 44 | 112.9 Ų | 112.9 | 36% | 0.364 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -68.3 | -5.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V7 L26 | V7-A9 PolarHBondContact O-N 3.44Å; A9-L26 HydrophobicContact CB-CD1 4.08Å |
| 10 | V | 29.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 113.5 Ų | 113.5 | 49% | 0.491 | 67% | 0.667 | S | S | . | * | G | 310 helix | trans | -138.2 | 56.8 | 167 | -165.6 | 0 | 0 | 0 | 0 | 110.2 | S8 V12 | S8-V10 PolarHBondContact O-N 2.93Å; S8-V10 VanDerWaalsContact O-N 3.08Å; V10-V12 PolarHBondContact O-N 3.37Å |
| 11 | T | 25.6 | Very low | 29.5 | Very low | 103 Ų | 103 | 111 Ų | 111 | 63% | 0.632 | 65% | 0.654 | S | S | * | * | trans | -76.8 | 110.8 | 165.7 | 35.6 | 0 | 0 | 0 | 0 | 111.1 | S8 A13 | S8-T11 PolarHBondContact O-N 3.26Å; S8-T11 PolarHBondContact O-OG1 2.86Å; S8-T11 WeakPolarHBondContact OG-CG2 3.43Å; S8-T11 PolarHBondContact OG-OG1 3.31Å; T11-A13 PolarHBondContact O-N 3.38Å | ||
| 12 | V | 28 | Very low | 29.9 | Very low | 118 Ų | 118 | 105.4 Ų | 105.4 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | trans | -68.5 | 103.6 | 169.5 | 178 | 0 | 0 | 0 | 0 | 109.4 | V10 S14 | V10-V12 PolarHBondContact O-N 3.37Å; V12-S14 PolarHBondContact O-N 3.36Å | ||
| 13 | A | 25.9 | Very low | 30.3 | Very low | 85 Ų | 85 | 103.9 Ų | 103.9 | 70% | 0.702 | 63% | 0.625 | S | S | * | * | trans | -75.2 | 115.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109 | T11 N15 | T11-A13 PolarHBondContact O-N 3.38Å; A13-N15 PolarHBondContact O-N 2.91Å | ||
| 14 | S | 29.8 | Very low | 30.6 | Very low | 109 Ų | 109 | 101.4 Ų | 101.4 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -55.4 | 94.1 | 169.3 | 157.4 | 0 | 0 | 0 | 0 | 110.5 | V12 | V12-S14 PolarHBondContact O-N 3.36Š|
| 15 | N | 26.6 | Very low | 30.9 | Very low | 137 Ų | 137 | 95.5 Ų | 95.5 | 73% | 0.733 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -171.1 | 91.6 | 149.4 | -95.1 | -17.1 | 0 | 0 | 0 | 111.1 | A13 S17 | A13-N15 PolarHBondContact O-N 2.91Å; N15-S17 PolarHBondContact O-N 3.49Å; N15-S17 PolarHBondContact O-OG 3.34Å |
| 16 | G | 31.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 95.9 Ų | 95.9 | 99% | 0.99 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 55.2 | 4.5 | 143.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||
| 17 | S | 28.3 | Very low | 31.5 | Very low | 67 Ų | 67 | 97.1 Ų | 97.1 | 47% | 0.469 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -140.7 | 129.8 | -179.8 | 54 | 0 | 0 | 0 | 0 | 109.2 | N15 L19 | N15-S17 PolarHBondContact O-N 3.49Å; N15-S17 PolarHBondContact O-OG 3.34Å; S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.4Å |
| 18 | W | 30.9 | Very low | 31.8 | Very low | 213 Ų | 213 | 100 Ų | 100 | 81% | 0.807 | 62% | 0.617 | S | S | * | * | trans | -71.8 | 80.9 | -179.1 | -59.8 | 90.8 | 0 | 0 | 0 | 108.7 | ||||
| 19 | L | 31.7 | Very low | 32.2 | Very low | 137 Ų | 137 | 102.4 Ų | 102.4 | 72% | 0.717 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 132.9 | -173.2 | -72.4 | 166.8 | 0 | 0 | 0 | 111.7 | S17 | S17-L19 VanDerWaalsContact C-N 3.26Å; S17-L19 PolarHBondContact O-N 3.4Å |
| 20 | E | 30.4 | Very low | 32.9 | Very low | 125 Ų | 125 | 101.7 Ų | 101.7 | 58% | 0.584 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 145.5 | 174.8 | -71.4 | 166.9 | 141.1 | 0 | 0 | 112 | D22 | E20-D22 PolarHBondContact O-N 3.43Š|
| 21 | P | 36.4 | Very low | 33.8 | Very low | 62 Ų | 62 | 101.5 Ų | 101.5 | 40% | 0.403 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -65.4 | 129 | 171.9 | 24.6 | -29.9 | 0 | 0 | 0 | 110.8 | S23 V195 | P21-S23 PolarHBondContact O-N 3.42Å; P21-S23 VanDerWaalsContact O-N 3.07Å; P21-V195 HydrophobicContact CG-CG1 3.95Å |
| 22 | D | 33.5 | Very low | 34.9 | Very low | 128 Ų | 128 | 100.6 Ų | 100.6 | 68% | 0.684 | 61% | 0.61 | S | S | * | * | trans | -61.8 | 106.6 | 178.4 | -84 | -30.4 | 0 | 0 | 0 | 111.1 | E20 S24 A25 | E20-D22 PolarHBondContact O-N 3.43Å; D22-S24 PolarHBondContact O-N 3.32Å; D22-S24 VanDerWaalsContact O-N 3.16Å; D22-A25 HydrophobicContact CB-CB 4.49Å; D22-A25 PolarHBondContact O-N 2.87Å | ||
| 23 | S | 39.4 | Very low | 36.3 | Very low | 111 Ų | 111 | 98.1 Ų | 98.1 | 78% | 0.776 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -21.1 | 179.6 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | P21 | P21-S23 PolarHBondContact O-N 3.42Å; P21-S23 VanDerWaalsContact O-N 3.07Å |
| 24 | S | 33.2 | Very low | 37.9 | Very low | 88 Ų | 88 | 96 Ų | 96 | 62% | 0.615 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -27.7 | -179.8 | 57 | 0 | 0 | 0 | 0 | 113.7 | D22 L26 S27 | D22-S24 PolarHBondContact O-N 3.32Å; D22-S24 VanDerWaalsContact O-N 3.16Å; S24-L26 PolarHBondContact O-N 3.17Å; S24-S27 PolarHBondContact O-OG 2.72Å; S24-S27 VanDerWaalsContact O-OG 3.06Å |
| 25 | A | 34.7 | Very low | 39.3 | Very low | 64 Ų | 64 | 95 Ų | 95 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -14 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D22 S27 | D22-A25 HydrophobicContact CB-CB 4.49Å; D22-A25 PolarHBondContact O-N 2.87Å; A25-S27 PolarHBondContact O-N 2.84Å |
| 26 | L | 36.5 | Very low | 41.2 | Very low | 62 Ų | 62 | 92.8 Ų | 92.8 | 33% | 0.325 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.9 | -179.6 | -136.1 | 84.9 | 0 | 0 | 0 | 113.6 | A9 S24 S30 L191 | A9-L26 HydrophobicContact CB-CD1 4.08Å; S24-L26 PolarHBondContact O-N 3.17Å; L26-S30 PolarHBondContact O-OG 2.89Å; L26-L191 HydrophobicContact CD2-CD1 3.6Å |
| 27 | S | 39.1 | Very low | 43 | Very low | 81 Ų | 81 | 88.8 Ų | 88.8 | 57% | 0.566 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -80.1 | -23.6 | -156.1 | 54.7 | 0 | 0 | 0 | 0 | 117.1 | S24 A25 | S24-S27 PolarHBondContact O-OG 2.72Å; S24-S27 VanDerWaalsContact O-OG 3.06Å; A25-S27 PolarHBondContact O-N 2.84Å |
| 28 | N | 37 | Very low | 45 | Very low | 138 Ų | 138 | 86.7 Ų | 86.7 | 74% | 0.738 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -131 | -33.3 | -175.5 | -84.5 | -18.5 | 0 | 0 | 0 | 116.6 | P32 | N28-P32 WeakPolarHBondContact O-CD 3.38Š|
| 29 | E | 38.8 | Very low | 47.1 | Very low | 102 Ų | 102 | 80.3 Ų | 80.3 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -90 | -21.1 | 180 | -73.6 | -166.5 | 163.3 | 0 | 0 | 114 | A6 P32 | A6-E29 WeakPolarHBondContact CA-OE2 3.49Å; A6-E29 HydrophobicContact CB-CB 4.29Å; E29-P32 VanDerWaalsContact O-CD 3.24Å; E29-P32 WeakPolarHBondContact O-CD 3.13Å; E29-P32 WeakPolarHBondContact O-CG 3.5Å |
| 30 | S | 45.7 | Very low | 49.5 | Very low | 28 Ų | 28 | 77.3 Ų | 77.3 | 20% | 0.196 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -75.6 | -29.8 | 179.5 | 78.2 | 0 | 0 | 0 | 0 | 112.7 | L26 F33 V34 | L26-S30 PolarHBondContact O-OG 2.89Å; S30-F33 PolarHBondContact O-N 2.81Å; S30-V34 WeakPolarHBondContact O-CG2 3.28Å; S30-V34 PolarHBondContact O-N 3.47Å |
| 31 | V | 46.1 | Very low | 52.1 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 47% | 0.473 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.3 | -50.8 | -179 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | F33 V34 V35 | V31-F33 VanDerWaalsContact C-N 3.29Å; V31-F33 PolarHBondContact O-N 3.29Å; V31-V34 PolarHBondContact O-N 2.78Å; V31-V35 HydrophobicContact CG1-CG2 4.28Å; V31-V35 WeakPolarHBondContact O-CB 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.35Å; V31-V35 PolarHBondContact O-N 3.07Å |
| 32 | P | 49.7 | Very low | 54.4 | Low | 84 Ų | 84 | 72 Ų | 72 | 55% | 0.545 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 178.3 | 23.5 | -34.6 | 0 | 0 | 0 | 112.9 | N28 E29 L36 | N28-P32 WeakPolarHBondContact O-CD 3.38Å; E29-P32 VanDerWaalsContact O-CD 3.24Å; E29-P32 WeakPolarHBondContact O-CD 3.13Å; E29-P32 WeakPolarHBondContact O-CG 3.5Å; P32-L36 WeakPolarHBondContact O-CB 3.47Å; P32-L36 PolarHBondContact O-N 3.09Å |
| 33 | F | 58.2 | Low | 57.1 | Low | 65 Ų | 65 | 69.5 Ų | 69.5 | 29% | 0.285 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -69.3 | -46.7 | 178.6 | -175.9 | -101 | 0 | 0 | 0 | 112 | S30 V31 V35 L36 L37 E284 L287 | S30-F33 PolarHBondContact O-N 2.81Å; V31-F33 VanDerWaalsContact C-N 3.29Å; V31-F33 PolarHBondContact O-N 3.29Å; F33-V35 VanDerWaalsContact C-N 3.32Å; F33-V35 PolarHBondContact O-N 3.4Å; F33-L36 PolarHBondContact O-N 2.81Å; F33-L37 HydrophobicContact CD1-CD2 4.45Å; F33-L37 HydrophobicContact CE1-CD2 3.7Å; F33-L37 HydrophobicContact CZ-CD1 4.2Å; F33-L37 HydrophobicContact CZ-CD2 4.11Å; F33-L37 VanDerWaalsContact O-CB 3.28Å; F33-L37 WeakPolarHBondContact O-CB 3.31Å; F33-L37 PolarHBondContact O-N 2.8Å; F33-E284 HydrophobicContact CE2-CB 4.49Å; F33-E284 HydrophobicContact CE2-CG 3.99Å; F33-L287 HydrophobicContact CE1-CD2 3.83Å; F33-L287 HydrophobicContact CZ-CD2 3.51Å; F33-L287 HydrophobicContact CZ-CG 4.35Å |
| 34 | V | 58.1 | Low | 59.5 | Low | 42 Ų | 42 | 67.1 Ų | 67.1 | 26% | 0.255 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -44.8 | 174.7 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | S30 V31 L36 L37 M38 F106 | S30-V34 WeakPolarHBondContact O-CG2 3.28Å; S30-V34 PolarHBondContact O-N 3.47Å; V31-V34 PolarHBondContact O-N 2.78Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.8Å; V34-L37 PolarHBondContact O-N 3.2Å; V34-M38 HydrophobicContact CG1-CG 3.68Å; V34-M38 WeakPolarHBondContact O-CB 3.34Å; V34-M38 WeakPolarHBondContact O-CG 3.14Å; V34-M38 PolarHBondContact O-N 3.38Å; V34-M38 VanDerWaalsContact O-N 3.08Å; V34-F106 HydrophobicContact CG1-CE1 3.87Å; V34-F106 HydrophobicContact CG1-CZ 3.79Å |
| 35 | V | 60.3 | Low | 62.2 | Low | 87 Ų | 87 | 64.4 Ų | 64.4 | 53% | 0.527 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.7 | -36 | 178.4 | 172.1 | 0 | 0 | 0 | 0 | 112.5 | V31 F33 P39 | V31-V35 HydrophobicContact CG1-CG2 4.28Å; V31-V35 WeakPolarHBondContact O-CB 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.35Å; V31-V35 PolarHBondContact O-N 3.07Å; F33-V35 VanDerWaalsContact C-N 3.32Å; F33-V35 PolarHBondContact O-N 3.4Å; V35-P39 WeakPolarHBondContact O-CD 3.36Å |
| 36 | L | 66.4 | Low | 65 | Low | 90 Ų | 90 | 65.9 Ų | 65.9 | 47% | 0.471 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -73.6 | -39.2 | 178.1 | -176.5 | 63.2 | 0 | 0 | 0 | 113.2 | P32 F33 V34 E284 | P32-L36 WeakPolarHBondContact O-CB 3.47Å; P32-L36 PolarHBondContact O-N 3.09Å; F33-L36 PolarHBondContact O-N 2.81Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.8Å; L36-E284 WeakPolarHBondContact CD2-OE1 3.18Å |
| 37 | L | 69.3 | Low | 67.7 | Low | 13 Ų | 13 | 65.4 Ų | 65.4 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -77.8 | -34.9 | -173 | -167.1 | 72.4 | 0 | 0 | 0 | 112.7 | F33 V34 Q40 L41 L288 L291 | F33-L37 HydrophobicContact CD1-CD2 4.45Å; F33-L37 HydrophobicContact CE1-CD2 3.7Å; F33-L37 HydrophobicContact CZ-CD1 4.2Å; F33-L37 HydrophobicContact CZ-CD2 4.11Å; F33-L37 VanDerWaalsContact O-CB 3.28Å; F33-L37 WeakPolarHBondContact O-CB 3.31Å; F33-L37 PolarHBondContact O-N 2.8Å; V34-L37 PolarHBondContact O-N 3.2Å; L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.1Å; L37-L41 HydrophobicContact CD2-CD1 4.49Å; L37-L41 HydrophobicContact CG-CD1 4.24Å; L37-L41 PolarHBondContact O-N 3Å; L37-L288 HydrophobicContact CD1-CB 3.88Å; L37-L288 HydrophobicContact CD1-CD1 3.46Å; L37-L288 VanDerWaalsContact CD1-CD1 3.46Å; L37-L288 HydrophobicContact CD1-CG 4.25Å; L37-L288 HydrophobicContact CG-CD1 4.3Å; L37-L291 HydrophobicContact CD1-CD1 4.25Å; L37-L291 HydrophobicContact CD2-CD1 3.25Å; L37-L291 HydrophobicContact CG-CD1 4.11Å |
| 38 | M | 69.9 | Low | 70.3 | Confident | 22 Ų | 22 | 61.5 Ų | 61.5 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.8 | -43.8 | -167.9 | -76 | -68.7 | -54.5 | 0 | 0 | 115.3 | V34 Q40 L41 E42 R45 F106 | V34-M38 HydrophobicContact CG1-CG 3.68Å; V34-M38 WeakPolarHBondContact O-CB 3.34Å; V34-M38 WeakPolarHBondContact O-CG 3.14Å; V34-M38 PolarHBondContact O-N 3.38Å; V34-M38 VanDerWaalsContact O-N 3.08Å; M38-Q40 PolarHBondContact O-N 3.49Å; M38-L41 PolarHBondContact O-N 3.42Å; M38-L41 HydrophobicContact SD-CD1 4.42Å; M38-E42 PolarHBondContact O-N 2.74Å; M38-E42 VanDerWaalsContact O-N 3.14Å; M38-R45 PolarHBondContact SD-NH2 3.36Å; M38-F106 HydrophobicContact CB-CD1 4.32Å; M38-F106 HydrophobicContact CB-CE1 4.11Å; M38-F106 HydrophobicContact CB-CZ 4.38Å; M38-F106 HydrophobicContact CE-CD1 4.33Å; M38-F106 HydrophobicContact CE-CD2 3.34Å; M38-F106 HydrophobicContact CE-CE1 4.02Å; M38-F106 HydrophobicContact CE-CE2 2.97Å; M38-F106 HydrophobicContact CE-CG 4.03Å; M38-F106 HydrophobicContact CE-CZ 3.34Å; M38-F106 HydrophobicContact CG-CD1 4.44Å; M38-F106 HydrophobicContact CG-CE1 3.76Å; M38-F106 HydrophobicContact CG-CE2 4.29Å; M38-F106 HydrophobicContact CG-CZ 3.67Å; M38-F106 HydrophobicContact SD-CE2 4.09Å; M38-F106 HydrophobicContact SD-CZ 3.93Å |
| 39 | P | 75.4 | Confident | 73 | Confident | 80 Ų | 80 | 56.1 Ų | 56.1 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -31.4 | 173 | -24.9 | 34.2 | 0 | 0 | 0 | 112.6 | V35 L41 E42 | V35-P39 WeakPolarHBondContact O-CD 3.36Å; P39-L41 VanDerWaalsContact C-N 3.32Å; P39-L41 PolarHBondContact O-N 3.23Å; P39-E42 WeakPolarHBondContact O-CB 3.5Å; P39-E42 PolarHBondContact O-N 3.01Å |
| 40 | Q | 81.5 | Confident | 75.7 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 35% | 0.346 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -75.8 | -21.5 | 179.7 | -51.6 | -167 | 26.8 | 0 | 0 | 113.2 | L37 M38 L288 | L37-Q40 WeakPolarHBondContact O-CB 3.31Å; L37-Q40 PolarHBondContact O-N 3.1Å; M38-Q40 PolarHBondContact O-N 3.49Å; Q40-L288 HydrophobicContact CB-CD1 3.79Å |
| 41 | L | 84.6 | Confident | 78.1 | Confident | 7 Ų | 7 | 55.8 Ų | 55.8 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -89.5 | -19.4 | 175.4 | -63.2 | 176 | 0 | 0 | 0 | 112.4 | L37 M38 P39 F44 R45 L288 L291 K292 | L37-L41 HydrophobicContact CD2-CD1 4.49Å; L37-L41 HydrophobicContact CG-CD1 4.24Å; L37-L41 PolarHBondContact O-N 3Å; M38-L41 PolarHBondContact O-N 3.42Å; M38-L41 HydrophobicContact SD-CD1 4.42Å; P39-L41 VanDerWaalsContact C-N 3.32Å; P39-L41 PolarHBondContact O-N 3.23Å; L41-F44 WeakPolarHBondContact O-CB 3.4Å; L41-F44 PolarHBondContact O-N 3.34Å; L41-F44 VanDerWaalsContact O-N 3.09Å; L41-R45 WeakPolarHBondContact O-CG 3.45Å; L41-R45 PolarHBondContact O-N 3.44Å; L41-L288 HydrophobicContact CD2-CD1 4.37Å; L41-L291 HydrophobicContact CD1-CB 4.24Å; L41-L291 HydrophobicContact CD2-CB 3.96Å; L41-K292 HydrophobicContact CD2-CB 4.46Å; L41-K292 HydrophobicContact CD2-CG 3.77Å |
| 42 | E | 86 | Confident | 80.4 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -48.6 | -50.9 | 179.5 | -151 | -169 | 166.3 | 0 | 0 | 114.1 | M38 P39 F44 R45 Y46 L103 | M38-E42 PolarHBondContact O-N 2.74Å; M38-E42 VanDerWaalsContact O-N 3.14Å; P39-E42 WeakPolarHBondContact O-CB 3.5Å; P39-E42 PolarHBondContact O-N 3.01Å; E42-F44 VanDerWaalsContact C-N 3.29Å; E42-F44 PolarHBondContact O-N 3.36Å; E42-R45 PolarHBondContact O-N 3.08Å; E42-R45 VanDerWaalsContact O-N 3.16Å; E42-Y46 HydrophobicContact CG-CD2 4.06Å; E42-Y46 HydrophobicContact CG-CE2 3.54Å; E42-Y46 VanDerWaalsContact O-CD2 3.29Å; E42-Y46 WeakPolarHBondContact O-CD2 3.25Å; E42-Y46 PolarHBondContact O-N 3.04Å; E42-Y46 WeakPolarHBondContact OE1-CE2 3.27Å; E42-Y46 PolarHBondContact OE1-OH 2.77Å; E42-L103 HydrophobicContact CG-CD2 3.44Å; E42-L103 VanDerWaalsContact CG-CD2 3.44Å |
| 43 | P | 89.5 | Confident | 82.7 | Confident | 76 Ų | 76 | 51.8 Ų | 51.8 | 49% | 0.494 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 180 | 23.6 | -33.8 | 0 | 0 | 0 | 112.9 | R45 A47 | P43-R45 VanDerWaalsContact C-N 3.35Å; P43-A47 WeakPolarHBondContact O-CB 3.41Å; P43-A47 PolarHBondContact O-N 3.22Å |
| 44 | F | 90.2 | Very high | 84.5 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 177.7 | -66.8 | -92.7 | 0 | 0 | 0 | 111.4 | L41 E42 A47 D48 K292 C295 L296 | L41-F44 WeakPolarHBondContact O-CB 3.4Å; L41-F44 PolarHBondContact O-N 3.34Å; L41-F44 VanDerWaalsContact O-N 3.09Å; E42-F44 VanDerWaalsContact C-N 3.29Å; E42-F44 PolarHBondContact O-N 3.36Å; F44-A47 PolarHBondContact O-N 2.89Å; F44-D48 PolarHBondContact O-N 2.81Å; F44-K292 HydrophobicContact CD1-CB 4.16Å; F44-K292 HydrophobicContact CD1-CG 4.49Å; F44-K292 HydrophobicContact CD2-CB 4.36Å; F44-K292 HydrophobicContact CD2-CD 4.35Å; F44-K292 HydrophobicContact CD2-CG 3.83Å; F44-K292 HydrophobicContact CE1-CB 4Å; F44-K292 HydrophobicContact CE1-CD 4.45Å; F44-K292 HydrophobicContact CE1-CG 4.27Å; F44-K292 HydrophobicContact CE2-CB 4.22Å; F44-K292 HydrophobicContact CE2-CD 3.61Å; F44-K292 HydrophobicContact CE2-CG 3.59Å; F44-K292 HydrophobicContact CG-CB 4.34Å; F44-K292 HydrophobicContact CG-CG 4.29Å; F44-K292 HydrophobicContact CZ-CB 4.04Å; F44-K292 HydrophobicContact CZ-CD 3.67Å; F44-K292 HydrophobicContact CZ-CG 3.83Å; F44-C295 HydrophobicContact CB-CB 3.67Å; F44-L296 HydrophobicContact CD1-CD1 4.13Å; F44-L296 HydrophobicContact CD1-CD2 4.42Å; F44-L296 HydrophobicContact CD1-CG 4.23Å |
| 45 | R | 90.1 | Very high | 86.3 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 11% | 0.113 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -43 | 175.5 | -66.4 | 178.5 | 176.5 | -174.1 | 0.6 | 112.3 | M38 L41 E42 P43 A47 D48 I49 H99 A102 L103 | M38-R45 PolarHBondContact SD-NH2 3.36Å; L41-R45 WeakPolarHBondContact O-CG 3.45Å; L41-R45 PolarHBondContact O-N 3.44Å; E42-R45 PolarHBondContact O-N 3.08Å; E42-R45 VanDerWaalsContact O-N 3.16Å; P43-R45 VanDerWaalsContact C-N 3.35Å; R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 2.71Å; R45-D48 PolarHBondContact O-N 2.99Å; R45-I49 WeakPolarHBondContact O-CB 3.15Å; R45-I49 VanDerWaalsContact O-CG1 3.27Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 2.9Å; R45-H99 HydrophobicContact CB-CB 4.48Å; R45-A102 PolarHBondContact NH1-O 3.15Å; R45-L103 HydrophobicContact CB-CD1 4.45Å; R45-L103 HydrophobicContact CB-CD2 4.31Å; R45-L103 HydrophobicContact CB-CG 4.45Å |
| 46 | Y | 92.2 | Very high | 88.1 | Confident | 96 Ų | 96 | 46.8 Ų | 46.8 | 38% | 0.376 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 173.2 | -74.4 | -62.8 | 0 | 0 | 0 | 111.6 | E42 D48 I49 V50 L103 K107 | E42-Y46 HydrophobicContact CG-CD2 4.06Å; E42-Y46 HydrophobicContact CG-CE2 3.54Å; E42-Y46 VanDerWaalsContact O-CD2 3.29Å; E42-Y46 WeakPolarHBondContact O-CD2 3.25Å; E42-Y46 PolarHBondContact O-N 3.04Å; E42-Y46 WeakPolarHBondContact OE1-CE2 3.27Å; E42-Y46 PolarHBondContact OE1-OH 2.77Å; Y46-D48 VanDerWaalsContact C-N 3.35Å; Y46-D48 PolarHBondContact O-N 3.36Å; Y46-I49 PolarHBondContact O-N 3.32Å; Y46-V50 WeakPolarHBondContact O-CG2 3.04Å; Y46-V50 PolarHBondContact O-N 2.9Å; Y46-L103 HydrophobicContact CD1-CD1 3.97Å; Y46-L103 HydrophobicContact CE1-CD1 3.69Å; Y46-L103 HydrophobicContact CE2-CD2 4.43Å; Y46-K107 PolarHBondContact OH-NZ 3.4Å |
| 47 | A | 93.4 | Very high | 89.4 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 42% | 0.421 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | P43 F44 R45 V50 L51 | P43-A47 WeakPolarHBondContact O-CB 3.41Å; P43-A47 PolarHBondContact O-N 3.22Å; F44-A47 PolarHBondContact O-N 2.89Å; R45-A47 VanDerWaalsContact C-N 3.31Å; R45-A47 PolarHBondContact O-N 2.71Å; A47-V50 PolarHBondContact O-N 2.77Å; A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3.25Å |
| 48 | D | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.2 | -31.9 | 179.3 | -151.1 | 59.6 | 0 | 0 | 0 | 112.8 | F44 R45 Y46 L51 S52 I95 H99 C295 L296 N297 S298 | F44-D48 PolarHBondContact O-N 2.81Å; R45-D48 PolarHBondContact O-N 2.99Å; Y46-D48 VanDerWaalsContact C-N 3.35Å; Y46-D48 PolarHBondContact O-N 3.36Å; D48-L51 PolarHBondContact O-N 2.86Å; D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.33Å; D48-S52 PolarHBondContact O-N 3.12Å; D48-S52 PolarHBondContact O-OG 3.48Å; D48-I95 WeakPolarHBondContact OD2-CG2 3.12Å; D48-H99 IonicContact OD2-CD2 3.79Å; D48-H99 IonicContact OD2-NE2 3.4Å; D48-H99 PolarHBondContact OD2-NE2 3.12Å; D48-C295 WeakPolarHBondContact CB-O 3.35Å; D48-L296 VanDerWaalsContact OD1-C 3.3Å; D48-L296 WeakPolarHBondContact OD1-CA 3.48Å; D48-N297 PolarHBondContact OD1-N 2.94Å; D48-S298 WeakPolarHBondContact OD1-CB 2.93Å; D48-S298 PolarHBondContact OD1-N 3.13Å; D48-S298 PolarHBondContact OD1-OG 3.14Å; D48-S298 PolarHBondContact OD2-N 2.88Å; D48-S298 PolarHBondContact OD2-OG 3.05Å |
| 49 | I | 94.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -51.3 | 169.5 | -75 | 168 | 0 | 0 | 0 | 110.5 | R45 Y46 L51 S52 I53 L96 H99 L103 | R45-I49 WeakPolarHBondContact O-CB 3.15Å; R45-I49 VanDerWaalsContact O-CG1 3.27Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 2.9Å; Y46-I49 PolarHBondContact O-N 3.32Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.41Å; I49-S52 PolarHBondContact O-N 3.4Å; I49-I53 HydrophobicContact CG2-CD1 4Å; I49-I53 WeakPolarHBondContact O-CG1 3.2Å; I49-I53 PolarHBondContact O-N 2.97Å; I49-L96 HydrophobicContact CB-CD2 4.22Å; I49-L96 HydrophobicContact CG1-CD2 4.35Å; I49-L96 HydrophobicContact CG2-CD2 3.79Å; I49-L96 WeakPolarHBondContact O-CD2 3.27Å; I49-H99 HydrophobicContact CD1-CB 3.77Å; I49-H99 HydrophobicContact CG1-CB 3.61Å; I49-L103 HydrophobicContact CD1-CD1 3.49Å; I49-L103 VanDerWaalsContact CD1-CD1 3.49Å |
| 50 | V | 95.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 45.2 Ų | 45.2 | 55% | 0.552 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -59.8 | -44.1 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 110.1 | Y46 A47 I53 V54 | Y46-V50 WeakPolarHBondContact O-CG2 3.04Å; Y46-V50 PolarHBondContact O-N 2.9Å; A47-V50 PolarHBondContact O-N 2.77Å; V50-I53 PolarHBondContact O-N 3.35Å; V50-V54 WeakPolarHBondContact O-CG2 3.45Å; V50-V54 PolarHBondContact O-N 3.24Å |
| 51 | L | 95.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.7 | -169.4 | 59 | 0 | 0 | 0 | 112.2 | A47 D48 I49 I53 V54 V55 I299 F302 | A47-L51 WeakPolarHBondContact O-CB 3.2Å; A47-L51 PolarHBondContact O-N 3.25Å; D48-L51 PolarHBondContact O-N 2.86Å; I49-L51 VanDerWaalsContact C-N 3.28Å; I49-L51 PolarHBondContact O-N 3.41Å; L51-I53 VanDerWaalsContact C-N 3.35Å; L51-I53 PolarHBondContact O-N 3.17Å; L51-V54 WeakPolarHBondContact O-CB 3.21Å; L51-V54 PolarHBondContact O-N 3.04Å; L51-V55 WeakPolarHBondContact O-CB 3.45Å; L51-V55 VanDerWaalsContact O-CG2 3.3Å; L51-V55 WeakPolarHBondContact O-CG2 3.28Å; L51-V55 PolarHBondContact O-N 3.3Å; L51-I299 HydrophobicContact CD2-CB 4.36Å; L51-I299 HydrophobicContact CD2-CG1 3.6Å; L51-F302 HydrophobicContact CD1-CB 3.8Å; L51-F302 HydrophobicContact CD1-CD1 4.04Å; L51-F302 HydrophobicContact CD1-CD2 3.6Å; L51-F302 HydrophobicContact CD1-CE2 4.16Å; L51-F302 HydrophobicContact CD1-CG 3.53Å; L51-F302 HydrophobicContact CD2-CB 4.41Å; L51-F302 HydrophobicContact CG-CB 4.17Å; L51-F302 HydrophobicContact CG-CG 4.43Å |
| 52 | S | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 174.3 | -91.1 | 0 | 0 | 0 | 0 | 112.1 | D48 I49 V55 V56 N92 I95 S298 | D48-S52 VanDerWaalsContact O-CB 3.26Å; D48-S52 WeakPolarHBondContact O-CB 3.33Å; D48-S52 PolarHBondContact O-N 3.12Å; D48-S52 PolarHBondContact O-OG 3.48Å; I49-S52 PolarHBondContact O-N 3.4Å; S52-V55 PolarHBondContact O-N 3.14Å; S52-V56 WeakPolarHBondContact O-CB 3.5Å; S52-V56 VanDerWaalsContact O-CG2 3.27Å; S52-V56 WeakPolarHBondContact O-CG2 3.28Å; S52-V56 PolarHBondContact O-N 3.12Å; S52-N92 PolarHBondContact OG-OD1 3Å; S52-I95 VanDerWaalsContact OG-CG2 3.3Å; S52-I95 WeakPolarHBondContact OG-CG2 3.42Å; S52-S298 PolarHBondContact OG-OG 3.17Å |
| 53 | I | 96.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61 | -46.5 | 176 | -68.7 | 166.7 | 0 | 0 | 0 | 110.3 | I49 V50 L51 V55 V56 I57 L96 | I49-I53 HydrophobicContact CG2-CD1 4Å; I49-I53 WeakPolarHBondContact O-CG1 3.2Å; I49-I53 PolarHBondContact O-N 2.97Å; V50-I53 PolarHBondContact O-N 3.35Å; L51-I53 VanDerWaalsContact C-N 3.35Å; L51-I53 PolarHBondContact O-N 3.17Å; I53-V55 VanDerWaalsContact C-N 3.33Å; I53-V55 PolarHBondContact O-N 2.82Å; I53-V56 PolarHBondContact O-N 3Å; I53-I57 HydrophobicContact CG2-CD1 3.82Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.24Å; I53-I57 PolarHBondContact O-N 3.31Å; I53-L96 HydrophobicContact CD1-CD2 4.37Å; I53-L96 HydrophobicContact CG1-CD1 4.26Å; I53-L96 HydrophobicContact CG1-CD2 3.76Å |
| 54 | V | 96.6 | Very high | 94 | Very high | 52 Ų | 52 | 43.3 Ų | 43.3 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58 | -48.3 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | V50 L51 V56 I57 E58 F302 | V50-V54 WeakPolarHBondContact O-CG2 3.45Å; V50-V54 PolarHBondContact O-N 3.24Å; L51-V54 WeakPolarHBondContact O-CB 3.21Å; L51-V54 PolarHBondContact O-N 3.04Å; V54-V56 PolarHBondContact O-N 3.17Å; V54-I57 PolarHBondContact O-N 3.47Å; V54-E58 HydrophobicContact CG1-CG 4.26Å; V54-E58 WeakPolarHBondContact O-CB 3.42Å; V54-E58 WeakPolarHBondContact O-CG 3.4Å; V54-E58 PolarHBondContact O-N 3.39Å; V54-F302 HydrophobicContact CG1-CD2 4.28Å; V54-F302 HydrophobicContact CG1-CE2 3.98Å |
| 55 | V | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 178.6 | 167.6 | 0 | 0 | 0 | 0 | 112.3 | L51 S52 I53 S59 N92 F302 I305 | L51-V55 WeakPolarHBondContact O-CB 3.45Å; L51-V55 VanDerWaalsContact O-CG2 3.3Å; L51-V55 WeakPolarHBondContact O-CG2 3.28Å; L51-V55 PolarHBondContact O-N 3.3Å; S52-V55 PolarHBondContact O-N 3.14Å; I53-V55 VanDerWaalsContact C-N 3.33Å; I53-V55 PolarHBondContact O-N 2.82Å; V55-S59 WeakPolarHBondContact O-CB 3.17Å; V55-S59 PolarHBondContact O-N 3.4Å; V55-S59 PolarHBondContact O-OG 3.48Å; V55-N92 HydrophobicContact CG1-CB 4.13Å; V55-N92 VanDerWaalsContact CG1-ND2 3.26Å; V55-N92 WeakPolarHBondContact CG1-ND2 3.34Å; V55-N92 WeakPolarHBondContact CG1-OD1 3.44Å; V55-F302 HydrophobicContact CG2-CB 3.68Å; V55-F302 HydrophobicContact CG2-CD2 4.13Å; V55-F302 HydrophobicContact CG2-CG 4.43Å; V55-I305 HydrophobicContact CB-CD1 4.48Å; V55-I305 HydrophobicContact CG1-CD1 3.56Å |
| 56 | V | 96.8 | Very high | 93.7 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.2 | 166.6 | 0 | 0 | 0 | 0 | 110.7 | S52 I53 V54 G60 I89 N92 L96 | S52-V56 WeakPolarHBondContact O-CB 3.5Å; S52-V56 VanDerWaalsContact O-CG2 3.27Å; S52-V56 WeakPolarHBondContact O-CG2 3.28Å; S52-V56 PolarHBondContact O-N 3.12Å; I53-V56 PolarHBondContact O-N 3Å; V54-V56 PolarHBondContact O-N 3.17Å; V56-G60 PolarHBondContact O-N 2.81Å; V56-I89 HydrophobicContact CG1-CG2 4.29Å; V56-N92 HydrophobicContact CG2-CB 3.77Å; V56-L96 HydrophobicContact CG2-CD1 4.23Å |
| 57 | I | 95.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 38.4 Ų | 38.4 | 51% | 0.513 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.7 | -49.8 | 178.7 | -66.7 | 168.3 | 0 | 0 | 0 | 110.5 | I53 V54 S59 G60 L61 | I53-I57 HydrophobicContact CG2-CD1 3.82Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.24Å; I53-I57 PolarHBondContact O-N 3.31Å; V54-I57 PolarHBondContact O-N 3.47Å; I57-S59 PolarHBondContact O-N 3.44Å; I57-G60 PolarHBondContact O-N 3.4Å; I57-L61 HydrophobicContact CG2-CD1 4.08Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 VanDerWaalsContact O-CG 3.32Å; I57-L61 WeakPolarHBondContact O-CG 3.25Å; I57-L61 PolarHBondContact O-N 2.88Å |
| 58 | E | 93.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 41 Ų | 41 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -47.4 | 180 | -73.6 | -176.3 | 163.2 | 0 | 0 | 111.6 | V54 L61 C62 I305 N306 | V54-E58 HydrophobicContact CG1-CG 4.26Å; V54-E58 WeakPolarHBondContact O-CB 3.42Å; V54-E58 WeakPolarHBondContact O-CG 3.4Å; V54-E58 PolarHBondContact O-N 3.39Å; E58-L61 PolarHBondContact O-N 3.11Å; E58-C62 WeakPolarHBondContact O-CB 3.23Å; E58-C62 PolarHBondContact O-N 3.05Å; E58-C62 PolarHBondContact O-SG 2.94Å; E58-I305 HydrophobicContact CB-CG2 4.18Å; E58-N306 PolarHBondContact OE2-ND2 2.97Å; E58-N306 VanDerWaalsContact OE2-ND2 3.11Å |
| 59 | S | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.5 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | V55 I57 C62 A63 F85 I305 | V55-S59 WeakPolarHBondContact O-CB 3.17Å; V55-S59 PolarHBondContact O-N 3.4Å; V55-S59 PolarHBondContact O-OG 3.48Å; I57-S59 PolarHBondContact O-N 3.44Å; S59-C62 PolarHBondContact O-N 2.97Å; S59-A63 VanDerWaalsContact O-CB 3.31Å; S59-A63 WeakPolarHBondContact O-CB 3.41Å; S59-A63 PolarHBondContact O-N 3.37Å; S59-F85 WeakPolarHBondContact CB-O 3.44Å; S59-I305 WeakPolarHBondContact OG-CD1 3.46Å |
| 60 | G | 95 | Very high | 92.2 | Very high | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | V56 I57 A63 L64 | V56-G60 PolarHBondContact O-N 2.81Å; I57-G60 PolarHBondContact O-N 3.4Å; G60-A63 PolarHBondContact O-N 3.25Å; G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 3.42Å |
| 61 | L | 92.3 | Very high | 91.4 | Very high | 91 Ų | 91 | 52.2 Ų | 52.2 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 175.4 | -70.5 | 174.3 | 0 | 0 | 0 | 111.5 | I57 E58 T65 | I57-L61 HydrophobicContact CG2-CD1 4.08Å; I57-L61 WeakPolarHBondContact O-CB 3.37Å; I57-L61 VanDerWaalsContact O-CG 3.32Å; I57-L61 WeakPolarHBondContact O-CG 3.25Å; I57-L61 PolarHBondContact O-N 2.88Å; E58-L61 PolarHBondContact O-N 3.11Å; L61-T65 WeakPolarHBondContact O-CB 3.49Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 2.88Å |
| 62 | C | 91.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -48.9 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | E58 S59 T65 I66 F85 L309 I315 | E58-C62 WeakPolarHBondContact O-CB 3.23Å; E58-C62 PolarHBondContact O-N 3.05Å; E58-C62 PolarHBondContact O-SG 2.94Å; S59-C62 PolarHBondContact O-N 2.97Å; C62-T65 WeakPolarHBondContact O-CB 3.45Å; C62-T65 PolarHBondContact O-N 3.42Å; C62-I66 WeakPolarHBondContact O-CG1 2.83Å; C62-I66 PolarHBondContact O-N 3.03Å; C62-F85 HydrophobicContact CB-CD1 3.99Å; C62-F85 HydrophobicContact CB-CD2 3.57Å; C62-F85 HydrophobicContact CB-CE1 4.01Å; C62-F85 HydrophobicContact CB-CE2 3.58Å; C62-F85 HydrophobicContact CB-CG 3.79Å; C62-F85 HydrophobicContact CB-CZ 3.81Å; C62-L309 VanDerWaalsContact SG-CD2 3.55Å; C62-I315 HydrophobicContact CB-CG2 4.35Å |
| 63 | A | 92.7 | Very high | 89.8 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S59 G60 T65 I66 L67 F85 I86 | S59-A63 VanDerWaalsContact O-CB 3.31Å; S59-A63 WeakPolarHBondContact O-CB 3.41Å; S59-A63 PolarHBondContact O-N 3.37Å; G60-A63 PolarHBondContact O-N 3.25Å; A63-T65 VanDerWaalsContact C-N 3.26Å; A63-T65 PolarHBondContact O-N 3.47Å; A63-I66 PolarHBondContact O-N 2.9Å; A63-I66 VanDerWaalsContact O-N 3.17Å; A63-L67 WeakPolarHBondContact O-CB 3.43Å; A63-L67 VanDerWaalsContact O-CG 3.23Å; A63-L67 WeakPolarHBondContact O-CG 3.31Å; A63-L67 PolarHBondContact O-N 3.13Å; A63-F85 HydrophobicContact CB-CB 3.95Å; A63-I86 HydrophobicContact CB-CG1 4.03Å |
| 64 | L | 91.7 | Very high | 88.9 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 47% | 0.466 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.9 | -42 | 178.4 | -175 | 67.3 | 0 | 0 | 0 | 111.4 | G60 I66 L67 L68 | G60-L64 WeakPolarHBondContact O-CB 3.39Å; G60-L64 PolarHBondContact O-N 3.42Å; L64-I66 PolarHBondContact O-N 3.19Å; L64-L67 PolarHBondContact O-N 3.19Å; L64-L68 HydrophobicContact CD1-CD1 3.71Å; L64-L68 HydrophobicContact CD1-CD2 4.45Å; L64-L68 HydrophobicContact CD1-CG 3.89Å; L64-L68 HydrophobicContact CD2-CD1 4.33Å; L64-L68 HydrophobicContact CG-CD1 3.69Å; L64-L68 HydrophobicContact CG-CG 4.18Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.15Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.43Å |
| 65 | T | 88 | Confident | 88.1 | Confident | 6 Ų | 6 | 54.6 Ų | 54.6 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 177.3 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | L61 C62 A63 N69 A318 I319 L322 | L61-T65 WeakPolarHBondContact O-CB 3.49Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 2.88Å; C62-T65 WeakPolarHBondContact O-CB 3.45Å; C62-T65 PolarHBondContact O-N 3.42Å; A63-T65 VanDerWaalsContact C-N 3.26Å; A63-T65 PolarHBondContact O-N 3.47Å; T65-N69 WeakPolarHBondContact O-CB 3.47Å; T65-N69 PolarHBondContact O-N 2.9Å; T65-A318 HydrophobicContact CG2-CB 3.13Å; T65-I319 HydrophobicContact CG2-CG1 4.12Å; T65-I319 WeakPolarHBondContact OG1-CG1 2.88Å; T65-L322 VanDerWaalsContact CA-CD1 3.5Å; T65-L322 HydrophobicContact CG2-CD1 4.06Å; T65-L322 VanDerWaalsContact OG1-CD1 3.28Å; T65-L322 WeakPolarHBondContact OG1-CD1 3.45Å |
| 66 | I | 87.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.1 | -45.7 | -179.6 | -64.9 | 167.8 | 0 | 0 | 0 | 110.2 | C62 A63 L64 L68 N69 L72 A78 V81 A82 F85 I315 | C62-I66 WeakPolarHBondContact O-CG1 2.83Å; C62-I66 PolarHBondContact O-N 3.03Å; A63-I66 PolarHBondContact O-N 2.9Å; A63-I66 VanDerWaalsContact O-N 3.17Å; L64-I66 PolarHBondContact O-N 3.19Å; I66-L68 PolarHBondContact O-N 2.82Å; I66-N69 PolarHBondContact O-N 2.96Å; I66-L72 HydrophobicContact CG1-CD1 4.32Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; I66-A78 HydrophobicContact CG2-CB 4.01Å; I66-A78 WeakPolarHBondContact CG2-O 3.49Å; I66-V81 HydrophobicContact CD1-CG1 3.94Å; I66-A82 HydrophobicContact CB-CB 4.07Å; I66-A82 HydrophobicContact CD1-CB 4.42Å; I66-A82 HydrophobicContact CG2-CB 3.84Å; I66-F85 HydrophobicContact CD1-CD2 3.96Å; I66-F85 HydrophobicContact CD1-CE2 3.75Å; I66-I315 HydrophobicContact CD1-CD1 4.47Å; I66-I315 HydrophobicContact CD1-CG1 4.45Å |
| 67 | L | 89.1 | Confident | 87 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | -176.8 | -68.5 | 174 | 0 | 0 | 0 | 113.2 | A63 L64 N69 M73 A82 I86 | A63-L67 WeakPolarHBondContact O-CB 3.43Å; A63-L67 VanDerWaalsContact O-CG 3.23Å; A63-L67 WeakPolarHBondContact O-CG 3.31Å; A63-L67 PolarHBondContact O-N 3.13Å; L64-L67 PolarHBondContact O-N 3.19Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 2.99Å; L67-M73 HydrophobicContact CD2-CE 4.06Å; L67-M73 HydrophobicContact CD2-SD 3.8Å; L67-M73 WeakPolarHBondContact O-CG 3.18Å; L67-A82 HydrophobicContact CD2-CB 4.16Å; L67-A82 HydrophobicContact CG-CB 4.28Å; L67-I86 HydrophobicContact CD1-CD1 4.33Å |
| 68 | L | 87.3 | Confident | 86.5 | Confident | 107 Ų | 107 | 51 Ų | 51 | 56% | 0.56 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -76.5 | -17.4 | 178.3 | -68.3 | -179.8 | 0 | 0 | 0 | 113.2 | L64 I66 K70 L322 | L64-L68 HydrophobicContact CD1-CD1 3.71Å; L64-L68 HydrophobicContact CD1-CD2 4.45Å; L64-L68 HydrophobicContact CD1-CG 3.89Å; L64-L68 HydrophobicContact CD2-CD1 4.33Å; L64-L68 HydrophobicContact CG-CD1 3.69Å; L64-L68 HydrophobicContact CG-CG 4.18Å; L64-L68 VanDerWaalsContact O-CB 3.31Å; L64-L68 WeakPolarHBondContact O-CB 3.15Å; L64-L68 VanDerWaalsContact O-CG 3.24Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.43Å; I66-L68 PolarHBondContact O-N 2.82Å; L68-K70 PolarHBondContact O-N 2.98Å; L68-L322 HydrophobicContact CD1-CD2 4.04Å |
| 69 | N | 84.5 | Confident | 86.3 | Confident | 54 Ų | 54 | 50.5 Ų | 50.5 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | trans | -88.8 | 102 | -179.2 | -170.9 | -22.2 | 0 | 0 | 0 | 111.2 | T65 I66 L67 M71 L72 M73 | T65-N69 WeakPolarHBondContact O-CB 3.47Å; T65-N69 PolarHBondContact O-N 2.9Å; I66-N69 PolarHBondContact O-N 2.96Å; L67-N69 VanDerWaalsContact C-N 3.3Å; L67-N69 PolarHBondContact O-N 2.99Å; N69-M71 PolarHBondContact O-N 3.29Å; N69-M71 VanDerWaalsContact O-N 3.1Å; N69-M71 WeakPolarHBondContact OD1-CB 3.21Å; N69-M71 PolarHBondContact OD1-N 3.29Å; N69-M71 VanDerWaalsContact OD1-N 3.07Å; N69-L72 HydrophobicContact CB-CB 4.1Å; N69-L72 HydrophobicContact CB-CD1 3.86Å; N69-L72 HydrophobicContact CB-CG 3.98Å; N69-L72 PolarHBondContact O-N 2.82Å; N69-M73 PolarHBondContact O-N 3.49Å | ||
| 70 | K | 80 | Confident | 86.1 | Confident | 179 Ų | 179 | 50.6 Ų | 50.6 | 78% | 0.778 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -34 | 179.1 | -68.3 | -173.2 | 177.4 | -175.5 | 0 | 114 | L68 | L68-K70 PolarHBondContact O-N 2.98Š|
| 71 | M | 78 | Confident | 85.9 | Confident | 118 Ų | 118 | 49.5 Ų | 49.5 | 58% | 0.581 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -40.6 | 178.8 | -67.5 | -68.2 | -69.3 | 0 | 0 | 111.5 | N69 Q74 | N69-M71 PolarHBondContact O-N 3.29Å; N69-M71 VanDerWaalsContact O-N 3.1Å; N69-M71 WeakPolarHBondContact OD1-CB 3.21Å; N69-M71 PolarHBondContact OD1-N 3.29Å; N69-M71 VanDerWaalsContact OD1-N 3.07Å; M71-Q74 PolarHBondContact O-N 3.42Å |
| 72 | L | 76.5 | Confident | 85.9 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -68.9 | -39.9 | 177.7 | -65 | 179.1 | 0 | 0 | 0 | 110.8 | I66 N69 Q74 S75 A78 Q314 A318 W352 | I66-L72 HydrophobicContact CG1-CD1 4.32Å; I66-L72 HydrophobicContact CG2-CB 4.24Å; N69-L72 HydrophobicContact CB-CB 4.1Å; N69-L72 HydrophobicContact CB-CD1 3.86Å; N69-L72 HydrophobicContact CB-CG 3.98Å; N69-L72 PolarHBondContact O-N 2.82Å; L72-Q74 PolarHBondContact O-N 2.84Å; L72-S75 WeakPolarHBondContact O-CB 3.46Å; L72-S75 PolarHBondContact O-N 3.22Å; L72-A78 HydrophobicContact CB-CB 4.19Å; L72-A78 WeakPolarHBondContact O-CB 3.5Å; L72-Q314 VanDerWaalsContact CD2-OE1 3.23Å; L72-A318 HydrophobicContact CD1-CB 4.41Å; L72-W352 HydrophobicContact CD2-CZ2 4.45Å |
| 73 | M | 80.8 | Confident | 86.1 | Confident | 66 Ų | 66 | 46.3 Ų | 46.3 | 33% | 0.325 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -62.5 | -11.5 | 178.1 | -72.6 | -59.6 | -69.2 | 0 | 0 | 114.9 | L67 N69 S75 I79 | L67-M73 HydrophobicContact CD2-CE 4.06Å; L67-M73 HydrophobicContact CD2-SD 3.8Å; L67-M73 WeakPolarHBondContact O-CG 3.18Å; N69-M73 PolarHBondContact O-N 3.49Å; M73-S75 VanDerWaalsContact C-N 3.28Å; M73-I79 HydrophobicContact CE-CD1 4.39Å; M73-I79 HydrophobicContact CE-CG1 4.03Å; M73-I79 HydrophobicContact SD-CG1 4.06Å |
| 74 | Q | 78.4 | Confident | 86.2 | Confident | 115 Ų | 115 | 46.3 Ų | 46.3 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -77.1 | -15.2 | 170.9 | -67.6 | 178.9 | -1.1 | 0 | 0 | 113 | M71 L72 K159 | M71-Q74 PolarHBondContact O-N 3.42Å; L72-Q74 PolarHBondContact O-N 2.84Å; Q74-K159 PolarHBondContact O-NZ 2.75Å |
| 75 | S | 80.9 | Confident | 86.4 | Confident | 18 Ų | 18 | 42 Ų | 42 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | trans | -98.3 | 120.1 | -179.2 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | L72 M73 I77 A78 I79 | L72-S75 WeakPolarHBondContact O-CB 3.46Å; L72-S75 PolarHBondContact O-N 3.22Å; M73-S75 VanDerWaalsContact C-N 3.28Å; S75-I77 PolarHBondContact O-N 3.01Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 3.02Å; S75-I79 PolarHBondContact O-N 3.04Å; S75-I79 VanDerWaalsContact O-N 3.13Å | ||
| 76 | N | 83.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 44.3 Ų | 44.3 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.5 | -37.8 | 174.8 | -72.7 | 8.1 | 0 | 0 | 0 | 112.1 | A78 I79 L80 K159 L163 | N76-A78 VanDerWaalsContact C-N 3.35Å; N76-I79 PolarHBondContact O-N 3.49Å; N76-L80 WeakPolarHBondContact O-CG 3.46Å; N76-L80 PolarHBondContact O-N 3.28Å; N76-K159 VanDerWaalsContact CG-CE 3.49Å; N76-K159 WeakPolarHBondContact ND2-CG 3.3Å; N76-K159 WeakPolarHBondContact OD1-CE 3.45Å; N76-L163 HydrophobicContact CB-CD2 3.95Å; N76-L163 HydrophobicContact CB-CG 4.47Å; N76-L163 VanDerWaalsContact OD1-CD1 3.25Å; N76-L163 WeakPolarHBondContact OD1-CD1 3.21Å |
| 77 | I | 84.9 | Confident | 87.2 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -42.5 | 177 | -75.2 | 159.3 | 0 | 0 | 0 | 111.1 | S75 I79 L80 V81 M253 | S75-I77 PolarHBondContact O-N 3.01Å; I77-I79 VanDerWaalsContact C-N 3.3Å; I77-I79 PolarHBondContact O-N 3.25Å; I77-L80 PolarHBondContact O-N 3.31Å; I77-V81 HydrophobicContact CG2-CG2 4.4Å; I77-V81 WeakPolarHBondContact O-CB 3.36Å; I77-V81 VanDerWaalsContact O-CG2 3.28Å; I77-V81 WeakPolarHBondContact O-CG2 3.18Å; I77-V81 PolarHBondContact O-N 3.38Å; I77-M253 HydrophobicContact CG2-CE 3.4Å; I77-M253 HydrophobicContact CG2-SD 4.26Å |
| 78 | A | 86 | Confident | 87.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I66 L72 S75 N76 V81 A82 W352 | I66-A78 HydrophobicContact CG2-CB 4.01Å; I66-A78 WeakPolarHBondContact CG2-O 3.49Å; L72-A78 HydrophobicContact CB-CB 4.19Å; L72-A78 WeakPolarHBondContact O-CB 3.5Å; S75-A78 WeakPolarHBondContact O-CB 3.38Å; S75-A78 PolarHBondContact O-N 3.02Å; N76-A78 VanDerWaalsContact C-N 3.35Å; A78-V81 PolarHBondContact O-N 3.38Å; A78-A82 WeakPolarHBondContact O-CB 3.5Å; A78-A82 PolarHBondContact O-N 2.92Å; A78-W352 HydrophobicContact CB-CH2 4.43Å; A78-W352 HydrophobicContact CB-CZ2 3.99Å |
| 79 | I | 89.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 37.7 Ų | 37.7 | 19% | 0.185 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -47.6 | 174.3 | -62.6 | 169.5 | 0 | 0 | 0 | 110.3 | M73 S75 N76 I77 V81 A82 L83 L163 | M73-I79 HydrophobicContact CE-CD1 4.39Å; M73-I79 HydrophobicContact CE-CG1 4.03Å; M73-I79 HydrophobicContact SD-CG1 4.06Å; S75-I79 PolarHBondContact O-N 3.04Å; S75-I79 VanDerWaalsContact O-N 3.13Å; N76-I79 PolarHBondContact O-N 3.49Å; I77-I79 VanDerWaalsContact C-N 3.3Å; I77-I79 PolarHBondContact O-N 3.25Å; I79-V81 PolarHBondContact O-N 2.62Å; I79-A82 WeakPolarHBondContact O-CB 3.5Å; I79-A82 PolarHBondContact O-N 2.92Å; I79-L83 HydrophobicContact CG2-CD1 4.21Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 3.35Å; I79-L163 HydrophobicContact CD1-CD1 3.91Å |
| 80 | L | 91 | Very high | 88.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.5 | -39.1 | 177.3 | -70.8 | 172.3 | 0 | 0 | 0 | 112.6 | N76 I77 A82 L83 L84 V136 L139 I140 D143 | N76-L80 WeakPolarHBondContact O-CG 3.46Å; N76-L80 PolarHBondContact O-N 3.28Å; I77-L80 PolarHBondContact O-N 3.31Å; L80-A82 VanDerWaalsContact C-N 3.34Å; L80-L83 HydrophobicContact CD2-CD1 4.31Å; L80-L83 WeakPolarHBondContact O-CB 3.5Å; L80-L83 PolarHBondContact O-N 2.82Å; L80-L84 PolarHBondContact O-N 3.28Å; L80-V136 WeakPolarHBondContact O-CG1 3.41Å; L80-L139 HydrophobicContact CD2-CB 4.44Å; L80-I140 HydrophobicContact CB-CD1 4.13Å; L80-I140 HydrophobicContact CB-CG1 3.61Å; L80-I140 HydrophobicContact CD1-CG1 4.07Å; L80-I140 HydrophobicContact CG-CG1 4.39Å; L80-D143 HydrophobicContact CD1-CB 4.5Å; L80-D143 WeakPolarHBondContact CD1-OD2 3.38Å |
| 81 | V | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.1 | -37.5 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | I66 I77 A78 I79 L84 F85 I140 L257 I315 | I66-V81 HydrophobicContact CD1-CG1 3.94Å; I77-V81 HydrophobicContact CG2-CG2 4.4Å; I77-V81 WeakPolarHBondContact O-CB 3.36Å; I77-V81 VanDerWaalsContact O-CG2 3.28Å; I77-V81 WeakPolarHBondContact O-CG2 3.18Å; I77-V81 PolarHBondContact O-N 3.38Å; A78-V81 PolarHBondContact O-N 3.38Å; I79-V81 PolarHBondContact O-N 2.62Å; V81-L84 WeakPolarHBondContact O-CB 3.28Å; V81-L84 PolarHBondContact O-N 3.4Å; V81-F85 HydrophobicContact CG1-CD2 4.08Å; V81-F85 HydrophobicContact CG1-CE2 3.51Å; V81-F85 HydrophobicContact CG1-CZ 4.2Å; V81-F85 WeakPolarHBondContact O-CD2 2.99Å; V81-F85 PolarHBondContact O-N 3.14Å; V81-F85 VanDerWaalsContact O-N 3.08Å; V81-I140 HydrophobicContact CG2-CD1 4.45Å; V81-L257 HydrophobicContact CG2-CD2 4.37Å; V81-I315 HydrophobicContact CG1-CD1 4.46Å |
| 82 | A | 92.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -41.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I66 L67 A78 I79 L80 L84 F85 I86 | I66-A82 HydrophobicContact CB-CB 4.07Å; I66-A82 HydrophobicContact CD1-CB 4.42Å; I66-A82 HydrophobicContact CG2-CB 3.84Å; L67-A82 HydrophobicContact CD2-CB 4.16Å; L67-A82 HydrophobicContact CG-CB 4.28Å; A78-A82 WeakPolarHBondContact O-CB 3.5Å; A78-A82 PolarHBondContact O-N 2.92Å; I79-A82 WeakPolarHBondContact O-CB 3.5Å; I79-A82 PolarHBondContact O-N 2.92Å; L80-A82 VanDerWaalsContact C-N 3.34Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 3.5Å; A82-F85 PolarHBondContact O-N 3.27Å; A82-I86 WeakPolarHBondContact O-CG1 3.33Å; A82-I86 PolarHBondContact O-N 3.02Å |
| 83 | L | 95 | Very high | 90.8 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 12% | 0.12 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -36.1 | 173.7 | -70.3 | 168.1 | 0 | 0 | 0 | 112 | I79 L80 F85 I86 A87 F132 V136 M167 | I79-L83 HydrophobicContact CG2-CD1 4.21Å; I79-L83 WeakPolarHBondContact O-CG 3.46Å; I79-L83 PolarHBondContact O-N 3.35Å; L80-L83 HydrophobicContact CD2-CD1 4.31Å; L80-L83 WeakPolarHBondContact O-CB 3.5Å; L80-L83 PolarHBondContact O-N 2.82Å; L83-F85 VanDerWaalsContact C-N 3.35Å; L83-I86 HydrophobicContact CD2-CD1 4.38Å; L83-I86 CarbonylContact O-C 3.58Å; L83-I86 PolarHBondContact O-N 3.4Å; L83-A87 WeakPolarHBondContact O-CB 3.45Å; L83-A87 PolarHBondContact O-N 3.35Å; L83-F132 HydrophobicContact CD2-CZ 4.21Å; L83-V136 HydrophobicContact CB-CG1 4.24Å; L83-V136 HydrophobicContact CB-CG2 4.12Å; L83-M167 HydrophobicContact CD1-CE 3.81Å; L83-M167 HydrophobicContact CD1-SD 3.38Å; L83-M167 WeakPolarHBondContact CD1-SD 3.34Å; L83-M167 HydrophobicContact CD2-CE 3.9Å |
| 84 | L | 94.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 24.8 Ų | 24.8 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 175.1 | -178 | 63.1 | 0 | 0 | 0 | 110.9 | L80 V81 A82 I86 A87 Y88 V133 V136 I140 L308 | L80-L84 PolarHBondContact O-N 3.28Å; V81-L84 WeakPolarHBondContact O-CB 3.28Å; V81-L84 PolarHBondContact O-N 3.4Å; A82-L84 VanDerWaalsContact C-N 3.29Å; A82-L84 PolarHBondContact O-N 3.5Å; L84-I86 VanDerWaalsContact C-N 3.35Å; L84-A87 WeakPolarHBondContact O-CB 3.48Å; L84-A87 PolarHBondContact O-N 2.96Å; L84-Y88 HydrophobicContact CD1-CD2 4.48Å; L84-Y88 HydrophobicContact CD1-CE2 3.91Å; L84-Y88 HydrophobicContact CD2-CE2 4.16Å; L84-Y88 HydrophobicContact CG-CD2 4.14Å; L84-Y88 HydrophobicContact CG-CE2 3.67Å; L84-Y88 WeakPolarHBondContact O-CD2 3.1Å; L84-Y88 PolarHBondContact O-N 2.87Å; L84-V133 HydrophobicContact CD1-CG1 4.15Å; L84-V136 HydrophobicContact CB-CG1 3.78Å; L84-V136 HydrophobicContact CD1-CG1 4.37Å; L84-I140 HydrophobicContact CB-CD1 4.39Å; L84-I140 HydrophobicContact CD2-CD1 4.22Å; L84-L308 HydrophobicContact CD2-CD1 4.41Å |
| 85 | F | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.3 | -40.3 | 173.2 | -68.4 | -53.9 | 0 | 0 | 0 | 112.2 | S59 C62 A63 I66 V81 A82 L83 A87 Y88 I89 I305 L308 I315 | S59-F85 WeakPolarHBondContact CB-O 3.44Å; C62-F85 HydrophobicContact CB-CD1 3.99Å; C62-F85 HydrophobicContact CB-CD2 3.57Å; C62-F85 HydrophobicContact CB-CE1 4.01Å; C62-F85 HydrophobicContact CB-CE2 3.58Å; C62-F85 HydrophobicContact CB-CG 3.79Å; C62-F85 HydrophobicContact CB-CZ 3.81Å; A63-F85 HydrophobicContact CB-CB 3.95Å; I66-F85 HydrophobicContact CD1-CD2 3.96Å; I66-F85 HydrophobicContact CD1-CE2 3.75Å; V81-F85 HydrophobicContact CG1-CD2 4.08Å; V81-F85 HydrophobicContact CG1-CE2 3.51Å; V81-F85 HydrophobicContact CG1-CZ 4.2Å; V81-F85 WeakPolarHBondContact O-CD2 2.99Å; V81-F85 PolarHBondContact O-N 3.14Å; V81-F85 VanDerWaalsContact O-N 3.08Å; A82-F85 PolarHBondContact O-N 3.27Å; L83-F85 VanDerWaalsContact C-N 3.35Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.34Å; F85-Y88 HydrophobicContact CD1-CD2 4.48Å; F85-Y88 PolarHBondContact O-N 3.43Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 2.98Å; F85-I305 HydrophobicContact CD1-CG1 4.31Å; F85-I305 HydrophobicContact CE1-CG1 4.19Å; F85-I305 HydrophobicContact CE1-CG2 4.17Å; F85-L308 HydrophobicContact CE1-CD1 4.06Å; F85-L308 HydrophobicContact CZ-CB 4.47Å; F85-L308 HydrophobicContact CZ-CD1 4.11Å; F85-I315 HydrophobicContact CE2-CD1 3.99Å; F85-I315 HydrophobicContact CZ-CD1 4.02Å |
| 86 | I | 96.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 19.7 Ų | 19.7 | 27% | 0.272 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 174 | -65.5 | 164.7 | 0 | 0 | 0 | 110.8 | A63 L67 A82 L83 L84 Y88 I89 V90 F132 | A63-I86 HydrophobicContact CB-CG1 4.03Å; L67-I86 HydrophobicContact CD1-CD1 4.33Å; A82-I86 WeakPolarHBondContact O-CG1 3.33Å; A82-I86 PolarHBondContact O-N 3.02Å; L83-I86 HydrophobicContact CD2-CD1 4.38Å; L83-I86 CarbonylContact O-C 3.58Å; L83-I86 PolarHBondContact O-N 3.4Å; L84-I86 VanDerWaalsContact C-N 3.35Å; I86-Y88 VanDerWaalsContact C-N 3.32Å; I86-Y88 PolarHBondContact O-N 2.93Å; I86-I89 WeakPolarHBondContact O-CB 3.39Å; I86-I89 PolarHBondContact O-N 3.46Å; I86-I89 VanDerWaalsContact O-N 3.07Å; I86-V90 WeakPolarHBondContact O-CG2 3.37Å; I86-V90 PolarHBondContact O-N 3.2Å; I86-F132 HydrophobicContact CG2-CE1 4.08Å |
| 87 | A | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L83 L84 F85 I89 V90 L91 F132 V133 | L83-A87 WeakPolarHBondContact O-CB 3.45Å; L83-A87 PolarHBondContact O-N 3.35Å; L84-A87 WeakPolarHBondContact O-CB 3.48Å; L84-A87 PolarHBondContact O-N 2.96Å; F85-A87 VanDerWaalsContact C-N 3.32Å; F85-A87 PolarHBondContact O-N 3.34Å; A87-I89 VanDerWaalsContact C-N 3.33Å; A87-I89 PolarHBondContact O-N 3.35Å; A87-V90 PolarHBondContact O-N 2.98Å; A87-L91 WeakPolarHBondContact O-CB 3.2Å; A87-L91 PolarHBondContact O-N 2.84Å; A87-F132 VanDerWaalsContact CA-CD1 3.48Å; A87-F132 HydrophobicContact CB-CB 3.91Å; A87-F132 HydrophobicContact CB-CD1 3.47Å; A87-F132 VanDerWaalsContact CB-CD1 3.47Å; A87-F132 HydrophobicContact CB-CD2 4.08Å; A87-F132 HydrophobicContact CB-CE1 3.95Å; A87-F132 HydrophobicContact CB-CE2 4.5Å; A87-F132 HydrophobicContact CB-CG 3.52Å; A87-F132 HydrophobicContact CB-CZ 4.43Å; A87-V133 HydrophobicContact CB-CB 4.39Å; A87-V133 HydrophobicContact CB-CG2 3.63Å |
| 88 | Y | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.2 | -38.7 | 171.6 | -73.8 | -53.4 | 0 | 0 | 0 | 112.7 | L84 F85 I86 L91 N92 V133 S264 S301 S304 I305 | L84-Y88 HydrophobicContact CD1-CD2 4.48Å; L84-Y88 HydrophobicContact CD1-CE2 3.91Å; L84-Y88 HydrophobicContact CD2-CE2 4.16Å; L84-Y88 HydrophobicContact CG-CD2 4.14Å; L84-Y88 HydrophobicContact CG-CE2 3.67Å; L84-Y88 WeakPolarHBondContact O-CD2 3.1Å; L84-Y88 PolarHBondContact O-N 2.87Å; F85-Y88 HydrophobicContact CD1-CD2 4.48Å; F85-Y88 PolarHBondContact O-N 3.43Å; I86-Y88 VanDerWaalsContact C-N 3.32Å; I86-Y88 PolarHBondContact O-N 2.93Å; Y88-L91 PolarHBondContact O-N 3.17Å; Y88-N92 WeakPolarHBondContact O-CB 3.44Å; Y88-N92 PolarHBondContact O-N 2.97Å; Y88-N92 PolarHBondContact O-ND2 2.98Å; Y88-V133 HydrophobicContact CD1-CG1 4.47Å; Y88-V133 HydrophobicContact CD1-CG2 3.81Å; Y88-V133 HydrophobicContact CE1-CG1 3.79Å; Y88-V133 HydrophobicContact CE1-CG2 3.97Å; Y88-V133 HydrophobicContact CG-CG2 4.39Å; Y88-S264 WeakPolarHBondContact OH-CB 3.36Å; Y88-S264 PolarHBondContact OH-OG 3.26Å; Y88-S301 WeakPolarHBondContact CD1-OG 3.38Å; Y88-S304 PolarHBondContact OH-OG 3.27Å; Y88-I305 HydrophobicContact CD2-CD1 4.05Å; Y88-I305 HydrophobicContact CD2-CG1 3.9Å; Y88-I305 HydrophobicContact CE2-CG1 4.15Å; Y88-I305 HydrophobicContact CG-CD1 4.09Å; Y88-I305 HydrophobicContact CG-CG1 4.42Å |
| 89 | I | 96.2 | Very high | 93 | Very high | 46 Ų | 46 | 19.8 Ų | 19.8 | 24% | 0.236 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 174.3 | -64.1 | 166 | 0 | 0 | 0 | 110.5 | V56 F85 I86 A87 L91 N92 F93 | V56-I89 HydrophobicContact CG1-CG2 4.29Å; F85-I89 WeakPolarHBondContact O-CG1 3.46Å; F85-I89 PolarHBondContact O-N 2.98Å; I86-I89 WeakPolarHBondContact O-CB 3.39Å; I86-I89 PolarHBondContact O-N 3.46Å; I86-I89 VanDerWaalsContact O-N 3.07Å; A87-I89 VanDerWaalsContact C-N 3.33Å; A87-I89 PolarHBondContact O-N 3.35Å; I89-L91 PolarHBondContact O-N 3.32Å; I89-N92 PolarHBondContact O-N 3.23Å; I89-F93 VanDerWaalsContact O-CB 3.29Å; I89-F93 WeakPolarHBondContact O-CB 3.47Å; I89-F93 PolarHBondContact O-N 3.19Å |
| 90 | V | 95.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 20.5 Ų | 20.5 | 27% | 0.267 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.6 | -46.5 | -179.1 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | I86 A87 F93 G94 L125 | I86-V90 WeakPolarHBondContact O-CG2 3.37Å; I86-V90 PolarHBondContact O-N 3.2Å; A87-V90 PolarHBondContact O-N 2.98Å; V90-F93 PolarHBondContact O-N 3.31Å; V90-G94 PolarHBondContact O-N 3.39Å; V90-L125 HydrophobicContact CG1-CD2 4.46Å |
| 91 | L | 94.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 177.2 | 175.1 | 63.5 | 0 | 0 | 0 | 112.1 | A87 Y88 I89 F93 G94 I95 L126 V133 F268 | A87-L91 WeakPolarHBondContact O-CB 3.2Å; A87-L91 PolarHBondContact O-N 2.84Å; Y88-L91 PolarHBondContact O-N 3.17Å; I89-L91 PolarHBondContact O-N 3.32Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 2.97Å; L91-G94 WeakPolarHBondContact O-CA 3.39Å; L91-G94 PolarHBondContact O-N 2.88Å; L91-G94 VanDerWaalsContact O-N 3.1Å; L91-I95 HydrophobicContact CD1-CD1 4.37Å; L91-I95 HydrophobicContact CG-CD1 4.14Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.31Å; L91-L126 HydrophobicContact CD1-CD1 4.05Å; L91-V133 HydrophobicContact CD2-CG2 4.17Å; L91-F268 HydrophobicContact CD1-CE1 4.49Å; L91-F268 HydrophobicContact CD1-CZ 4.35Å; L91-F268 HydrophobicContact CD2-CE1 4.47Å; L91-F268 HydrophobicContact CD2-CE2 4.37Å; L91-F268 HydrophobicContact CD2-CZ 3.64Å |
| 92 | N | 95.2 | Very high | 92 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73 | -25.8 | -176.3 | -72.8 | -99.1 | 0 | 0 | 0 | 111.7 | S52 V55 V56 Y88 I89 I95 L96 S298 S301 | S52-N92 PolarHBondContact OG-OD1 3Å; V55-N92 HydrophobicContact CG1-CB 4.13Å; V55-N92 VanDerWaalsContact CG1-ND2 3.26Å; V55-N92 WeakPolarHBondContact CG1-ND2 3.34Å; V55-N92 WeakPolarHBondContact CG1-OD1 3.44Å; V56-N92 HydrophobicContact CG2-CB 3.77Å; Y88-N92 WeakPolarHBondContact O-CB 3.44Å; Y88-N92 PolarHBondContact O-N 2.97Å; Y88-N92 PolarHBondContact O-ND2 2.98Å; I89-N92 PolarHBondContact O-N 3.23Å; N92-I95 PolarHBondContact O-N 3.49Å; N92-L96 WeakPolarHBondContact O-CB 3.48Å; N92-L96 VanDerWaalsContact O-CG 3.27Å; N92-L96 WeakPolarHBondContact O-CG 3.05Å; N92-L96 PolarHBondContact O-N 3.01Å; N92-S298 PolarHBondContact OD1-OG 3.36Å; N92-S301 PolarHBondContact ND2-OG 3.2Å |
| 93 | F | 94.3 | Very high | 91.5 | Very high | 107 Ų | 107 | 23.7 Ų | 23.7 | 47% | 0.469 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 167.4 | -166.4 | -102.7 | 0 | 0 | 0 | 111.5 | I89 V90 L91 I95 L96 V97 L125 | I89-F93 VanDerWaalsContact O-CB 3.29Å; I89-F93 WeakPolarHBondContact O-CB 3.47Å; I89-F93 PolarHBondContact O-N 3.19Å; V90-F93 PolarHBondContact O-N 3.31Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 2.97Å; F93-I95 VanDerWaalsContact C-N 3.35Å; F93-I95 PolarHBondContact O-N 3.01Å; F93-L96 WeakPolarHBondContact O-CB 3.47Å; F93-L96 PolarHBondContact O-N 3.29Å; F93-V97 HydrophobicContact CD1-CG2 4.21Å; F93-V97 HydrophobicContact CE1-CG2 3.92Å; F93-V97 HydrophobicContact CZ-CG2 4.27Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 2.97Å; F93-L125 HydrophobicContact CD1-CD1 3.77Å; F93-L125 HydrophobicContact CD1-CD2 4.37Å; F93-L125 HydrophobicContact CE1-CD1 4.02Å |
| 94 | G | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | V90 L91 V97 N98 | V90-G94 PolarHBondContact O-N 3.39Å; L91-G94 WeakPolarHBondContact O-CA 3.39Å; L91-G94 PolarHBondContact O-N 2.88Å; L91-G94 VanDerWaalsContact O-N 3.1Å; G94-V97 PolarHBondContact O-N 2.89Å; G94-N98 VanDerWaalsContact O-CB 3.27Å; G94-N98 WeakPolarHBondContact O-CB 3.31Å; G94-N98 PolarHBondContact O-N 3.33Å |
| 95 | I | 91.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.1 | -66.5 | 170.7 | 0 | 0 | 0 | 111.2 | D48 S52 L91 N92 F93 N98 H99 L126 N297 | D48-I95 WeakPolarHBondContact OD2-CG2 3.12Å; S52-I95 VanDerWaalsContact OG-CG2 3.3Å; S52-I95 WeakPolarHBondContact OG-CG2 3.42Å; L91-I95 HydrophobicContact CD1-CD1 4.37Å; L91-I95 HydrophobicContact CG-CD1 4.14Å; L91-I95 WeakPolarHBondContact O-CG1 3.45Å; L91-I95 PolarHBondContact O-N 3.31Å; N92-I95 PolarHBondContact O-N 3.49Å; F93-I95 VanDerWaalsContact C-N 3.35Å; F93-I95 PolarHBondContact O-N 3.01Å; I95-N98 PolarHBondContact O-N 3.24Å; I95-H99 WeakPolarHBondContact CG2-CD2 3.14Å; I95-H99 PolarHBondContact O-CD2 2.62Å; I95-H99 VanDerWaalsContact O-CD2 3.26Å; I95-H99 PolarHBondContact O-N 3.06Å; I95-L126 HydrophobicContact CG1-CD1 3.64Å; I95-N297 HydrophobicContact CD1-CB 4.07Å |
| 96 | L | 92.7 | Very high | 87.9 | Confident | 24 Ų | 24 | 33.4 Ų | 33.4 | 13% | 0.126 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -49.9 | 176.1 | -78.8 | 164.2 | 0 | 0 | 0 | 112.1 | I49 I53 V56 N92 F93 N98 H99 S100 | I49-L96 HydrophobicContact CB-CD2 4.22Å; I49-L96 HydrophobicContact CG1-CD2 4.35Å; I49-L96 HydrophobicContact CG2-CD2 3.79Å; I49-L96 WeakPolarHBondContact O-CD2 3.27Å; I53-L96 HydrophobicContact CD1-CD2 4.37Å; I53-L96 HydrophobicContact CG1-CD1 4.26Å; I53-L96 HydrophobicContact CG1-CD2 3.76Å; V56-L96 HydrophobicContact CG2-CD1 4.23Å; N92-L96 WeakPolarHBondContact O-CB 3.48Å; N92-L96 VanDerWaalsContact O-CG 3.27Å; N92-L96 WeakPolarHBondContact O-CG 3.05Å; N92-L96 PolarHBondContact O-N 3.01Å; F93-L96 WeakPolarHBondContact O-CB 3.47Å; F93-L96 PolarHBondContact O-N 3.29Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; L96-H99 PolarHBondContact O-N 3.05Å; L96-S100 VanDerWaalsContact O-CB 3.22Å; L96-S100 WeakPolarHBondContact O-CB 3.46Å; L96-S100 PolarHBondContact O-N 2.71Å; L96-S100 PolarHBondContact O-OG 3.07Å |
| 97 | V | 89.4 | Confident | 86.5 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 19% | 0.188 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | F93 G94 S100 L101 K122 L125 | F93-V97 HydrophobicContact CD1-CG2 4.21Å; F93-V97 HydrophobicContact CE1-CG2 3.92Å; F93-V97 HydrophobicContact CZ-CG2 4.27Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 2.97Å; G94-V97 PolarHBondContact O-N 2.89Å; V97-S100 PolarHBondContact O-N 3.22Å; V97-L101 HydrophobicContact CG1-CD1 3.78Å; V97-L101 HydrophobicContact CG1-CG 4.3Å; V97-L101 WeakPolarHBondContact O-CB 3.48Å; V97-L101 VanDerWaalsContact O-CG 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 2.91Å; V97-K122 HydrophobicContact CG1-CB 4.37Å; V97-L125 HydrophobicContact CG2-CD1 4.25Å |
| 98 | N | 86.8 | Confident | 84.9 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.8 | -52 | 178.5 | 177.8 | 51.5 | 0 | 0 | 0 | 112.5 | G94 I95 L96 A102 K122 | G94-N98 VanDerWaalsContact O-CB 3.27Å; G94-N98 WeakPolarHBondContact O-CB 3.31Å; G94-N98 PolarHBondContact O-N 3.33Å; I95-N98 PolarHBondContact O-N 3.24Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; N98-A102 WeakPolarHBondContact O-CB 3.31Å; N98-A102 PolarHBondContact O-N 3.43Å; N98-K122 HydrophobicContact CB-CD 4.35Å; N98-K122 HydrophobicContact CB-CG 4.06Å; N98-K122 WeakPolarHBondContact OD1-CD 3.26Å; N98-K122 WeakPolarHBondContact OD1-CE 3.21Å; N98-K122 PolarHBondContact OD1-NZ 3.02Å |
| 99 | H | 88.1 | Confident | 82.9 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 3% | 0.028 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.4 | -36.4 | -179.4 | -69.8 | -52.1 | 0 | 0 | 0 | 112.7 | R45 D48 I49 I95 L96 A102 L103 | R45-H99 HydrophobicContact CB-CB 4.48Å; D48-H99 IonicContact OD2-CD2 3.79Å; D48-H99 IonicContact OD2-NE2 3.4Å; D48-H99 PolarHBondContact OD2-NE2 3.12Å; I49-H99 HydrophobicContact CD1-CB 3.77Å; I49-H99 HydrophobicContact CG1-CB 3.61Å; I95-H99 WeakPolarHBondContact CG2-CD2 3.14Å; I95-H99 PolarHBondContact O-CD2 2.62Å; I95-H99 VanDerWaalsContact O-CD2 3.26Å; I95-H99 PolarHBondContact O-N 3.06Å; L96-H99 PolarHBondContact O-N 3.05Å; H99-A102 PolarHBondContact O-N 3.06Å; H99-L103 WeakPolarHBondContact O-CB 3.39Å; H99-L103 VanDerWaalsContact O-CG 3.25Å; H99-L103 WeakPolarHBondContact O-CG 3.44Å; H99-L103 PolarHBondContact O-N 2.6Å |
| 100 | S | 87.2 | Confident | 80.8 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.1 | -45.9 | 178 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L96 V97 L103 N104 | L96-S100 VanDerWaalsContact O-CB 3.22Å; L96-S100 WeakPolarHBondContact O-CB 3.46Å; L96-S100 PolarHBondContact O-N 2.71Å; L96-S100 PolarHBondContact O-OG 3.07Å; V97-S100 PolarHBondContact O-N 3.22Å; S100-L103 PolarHBondContact O-N 3.39Å; S100-N104 PolarHBondContact O-N 3.47Å; S100-N104 PolarHBondContact O-ND2 3.49Å |
| 101 | L | 82.3 | Confident | 78.9 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 174.9 | -70.7 | 175.2 | 0 | 0 | 0 | 111.1 | V97 L103 N104 Y105 K122 | V97-L101 HydrophobicContact CG1-CD1 3.78Å; V97-L101 HydrophobicContact CG1-CG 4.3Å; V97-L101 WeakPolarHBondContact O-CB 3.48Å; V97-L101 VanDerWaalsContact O-CG 3.29Å; V97-L101 WeakPolarHBondContact O-CG 3.46Å; V97-L101 PolarHBondContact O-N 2.91Å; L101-L103 PolarHBondContact O-N 3.04Å; L101-N104 PolarHBondContact O-N 3.34Å; L101-Y105 WeakPolarHBondContact O-CB 3.43Å; L101-Y105 PolarHBondContact O-N 3.45Å; L101-K122 HydrophobicContact CD1-CB 4.11Å; L101-K122 HydrophobicContact CD1-CD 4.14Å |
| 102 | A | 79.8 | Confident | 77 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 14% | 0.14 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.5 | -17.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R45 N98 H99 F106 | R45-A102 PolarHBondContact NH1-O 3.15Å; N98-A102 WeakPolarHBondContact O-CB 3.31Å; N98-A102 PolarHBondContact O-N 3.43Å; H99-A102 PolarHBondContact O-N 3.06Å; A102-F106 WeakPolarHBondContact O-CD2 3.42Å |
| 103 | L | 82.4 | Confident | 75.2 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -86.6 | -37.6 | 170.8 | -73.7 | 171.1 | 0 | 0 | 0 | 111.9 | E42 R45 Y46 I49 H99 S100 L101 | E42-L103 HydrophobicContact CG-CD2 3.44Å; E42-L103 VanDerWaalsContact CG-CD2 3.44Å; R45-L103 HydrophobicContact CB-CD1 4.45Å; R45-L103 HydrophobicContact CB-CD2 4.31Å; R45-L103 HydrophobicContact CB-CG 4.45Å; Y46-L103 HydrophobicContact CD1-CD1 3.97Å; Y46-L103 HydrophobicContact CE1-CD1 3.69Å; Y46-L103 HydrophobicContact CE2-CD2 4.43Å; I49-L103 HydrophobicContact CD1-CD1 3.49Å; I49-L103 VanDerWaalsContact CD1-CD1 3.49Å; H99-L103 WeakPolarHBondContact O-CB 3.39Å; H99-L103 VanDerWaalsContact O-CG 3.25Å; H99-L103 WeakPolarHBondContact O-CG 3.44Å; H99-L103 PolarHBondContact O-N 2.6Å; S100-L103 PolarHBondContact O-N 3.39Å; L101-L103 PolarHBondContact O-N 3.04Å |
| 104 | N | 77.8 | Confident | 73.7 | Confident | 89 Ų | 89 | 64.4 Ų | 64.4 | 48% | 0.476 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 178.9 | -74 | -21.8 | 0 | 0 | 0 | 112.5 | S100 L101 F106 K107 Q108 | S100-N104 PolarHBondContact O-N 3.47Å; S100-N104 PolarHBondContact O-ND2 3.49Å; L101-N104 PolarHBondContact O-N 3.34Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 VanDerWaalsContact O-N 3.15Å; N104-K107 PolarHBondContact O-N 3.16Å; N104-K107 VanDerWaalsContact O-N 3.12Å; N104-Q108 PolarHBondContact O-N 2.91Å |
| 105 | Y | 68.9 | Low | 72.8 | Confident | 61 Ų | 61 | 67.2 Ų | 67.2 | 24% | 0.239 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -38.9 | 177.6 | -178.3 | -83.3 | 0 | 0 | 0 | 112.6 | L101 F112 A190 | L101-Y105 WeakPolarHBondContact O-CB 3.43Å; L101-Y105 PolarHBondContact O-N 3.45Å; Y105-F112 HydrophobicContact CD2-CB 3.8Å; Y105-F112 AromaticContact CD2-CD1 3.81Å; Y105-F112 HydrophobicContact CD2-CD1 3.81Å; Y105-F112 HydrophobicContact CD2-CG 4.25Å; Y105-F112 HydrophobicContact CE2-CB 4.09Å; Y105-F112 HydrophobicContact CE2-CD1 4.49Å; Y105-F112 WeakPolarHBondContact CE2-O 3.43Å; Y105-F112 HydrophobicContact CG-CB 4.48Å; Y105-A190 VanDerWaalsContact CE2-O 3.24Å; Y105-A190 WeakPolarHBondContact CE2-O 3.48Å; Y105-A190 PolarHBondContact OH-O 2.86Å |
| 106 | F | 63.6 | Low | 72 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.7 | -174.9 | -69.5 | -89.6 | 0 | 0 | 0 | 114.2 | V34 M38 A102 N104 | V34-F106 HydrophobicContact CG1-CE1 3.87Å; V34-F106 HydrophobicContact CG1-CZ 3.79Å; M38-F106 HydrophobicContact CB-CD1 4.32Å; M38-F106 HydrophobicContact CB-CE1 4.11Å; M38-F106 HydrophobicContact CB-CZ 4.38Å; M38-F106 HydrophobicContact CE-CD1 4.33Å; M38-F106 HydrophobicContact CE-CD2 3.34Å; M38-F106 HydrophobicContact CE-CE1 4.02Å; M38-F106 HydrophobicContact CE-CE2 2.97Å; M38-F106 HydrophobicContact CE-CG 4.03Å; M38-F106 HydrophobicContact CE-CZ 3.34Å; M38-F106 HydrophobicContact CG-CD1 4.44Å; M38-F106 HydrophobicContact CG-CE1 3.76Å; M38-F106 HydrophobicContact CG-CE2 4.29Å; M38-F106 HydrophobicContact CG-CZ 3.67Å; M38-F106 HydrophobicContact SD-CE2 4.09Å; M38-F106 HydrophobicContact SD-CZ 3.93Å; A102-F106 WeakPolarHBondContact O-CD2 3.42Å; N104-F106 PolarHBondContact O-N 3.27Å; N104-F106 VanDerWaalsContact O-N 3.15Å |
| 107 | K | 67.3 | Low | 71.4 | Confident | 133 Ų | 133 | 69.8 Ų | 69.8 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -22 | 174.3 | -73.4 | -176.3 | -179.3 | 176.4 | 0 | 112.2 | Y46 N104 | Y46-K107 PolarHBondContact OH-NZ 3.4Å; N104-K107 PolarHBondContact O-N 3.16Å; N104-K107 VanDerWaalsContact O-N 3.12Å |
| 108 | Q | 61.2 | Low | 71 | Confident | 108 Ų | 108 | 71.3 Ų | 71.3 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -88.6 | 112.8 | 171 | -68.5 | -179.9 | -3 | 0 | 0 | 106.5 | N104 D110 | N104-Q108 PolarHBondContact O-N 2.91Å; Q108-D110 PolarHBondContact O-N 3.46Å |
| 109 | E | 53.6 | Low | 70.7 | Confident | 200 Ų | 200 | 70 Ų | 70 | 94% | 0.935 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -66.7 | -17.7 | 178.2 | -67 | -177.9 | 164.7 | 0 | 0 | 112 | ||
| 110 | D | 51.9 | Low | 70.6 | Confident | 138 Ų | 138 | 72.2 Ų | 72.2 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -84.2 | 145.5 | 175.2 | -64.1 | -40.6 | 0 | 0 | 0 | 111.4 | Q108 F112 | Q108-D110 PolarHBondContact O-N 3.46Å; D110-F112 PolarHBondContact O-N 3.48Å |
| 111 | E | 56 | Low | 70.5 | Confident | 176 Ų | 176 | 73.6 Ų | 73.6 | 82% | 0.822 | 37% | 0.37 | S | S | * | . | trans | -47.3 | 91 | 174.4 | -67.5 | 178.3 | 166 | 0 | 0 | 111.4 | L113 | E111-L113 PolarHBondContact O-N 2.86Š| ||
| 112 | F | 55.7 | Low | 70.5 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 24% | 0.241 | 36% | 0.364 | C | S | . | . | trans | -71.9 | 94.7 | 175.4 | -178.3 | -94.8 | 0 | 0 | 0 | 108.6 | Y105 D110 A114 | Y105-F112 HydrophobicContact CD2-CB 3.8Å; Y105-F112 AromaticContact CD2-CD1 3.81Å; Y105-F112 HydrophobicContact CD2-CD1 3.81Å; Y105-F112 HydrophobicContact CD2-CG 4.25Å; Y105-F112 HydrophobicContact CE2-CB 4.09Å; Y105-F112 HydrophobicContact CE2-CD1 4.49Å; Y105-F112 WeakPolarHBondContact CE2-O 3.43Å; Y105-F112 HydrophobicContact CG-CB 4.48Å; D110-F112 PolarHBondContact O-N 3.48Å; F112-A114 HydrophobicContact CD1-CB 4.38Å; F112-A114 HydrophobicContact CE1-CB 4.03Å; F112-A114 PolarHBondContact O-N 3.36Å; F112-A114 VanDerWaalsContact O-N 3.15Å | ||
| 113 | L | 55.8 | Low | 70.8 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 47% | 0.466 | 36% | 0.364 | S | S | . | . | trans | -68.1 | 111.1 | 165.6 | -68.2 | 169.7 | 0 | 0 | 0 | 108.1 | E111 T115 D188 | E111-L113 PolarHBondContact O-N 2.86Å; L113-T115 PolarHBondContact O-N 3.49Å; L113-D188 HydrophobicContact CD2-CB 4.5Å | ||
| 114 | A | 64.2 | Low | 71.1 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | F112 G116 F189 C192 | F112-A114 HydrophobicContact CD1-CB 4.38Å; F112-A114 HydrophobicContact CE1-CB 4.03Å; F112-A114 PolarHBondContact O-N 3.36Å; F112-A114 VanDerWaalsContact O-N 3.15Å; A114-G116 PolarHBondContact O-N 2.9Å; A114-F189 PolarHBondContact N-O 2.81Å; A114-F189 PolarHBondContact O-N 2.78Å; A114-C192 HydrophobicContact CB-CB 3.85Å |
| 115 | T | 72.8 | Confident | 71.7 | Confident | 59 Ų | 59 | 71 Ų | 71 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 140.9 | 171 | 65.8 | 0 | 0 | 0 | 0 | 109.5 | L113 S117 L118 C119 | L113-T115 PolarHBondContact O-N 3.49Å; T115-S117 PolarHBondContact O-N 3.32Å; T115-S117 PolarHBondContact OG1-OG 2.79Å; T115-S117 VanDerWaalsContact OG1-OG 3.11Å; T115-L118 PolarHBondContact O-N 2.85Å; T115-L118 WeakPolarHBondContact OG1-CG 3.15Å; T115-L118 PolarHBondContact OG1-N 3.5Å; T115-C119 PolarHBondContact O-N 2.85Å; T115-C119 VanDerWaalsContact O-N 3.11Å |
| 116 | G | 74.6 | Confident | 72.7 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -48.1 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A114 C119 F120 L185 Q186 D187 | A114-G116 PolarHBondContact O-N 2.9Å; G116-C119 PolarHBondContact O-N 3.12Å; G116-F120 WeakPolarHBondContact O-CB 3.19Å; G116-F120 PolarHBondContact O-N 3.04Å; G116-L185 WeakPolarHBondContact O-CD1 3.36Å; G116-Q186 WeakPolarHBondContact CA-O 3.39Å; G116-D187 PolarHBondContact N-O 2.98Å |
| 117 | S | 79.8 | Confident | 73.9 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 55% | 0.552 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 177.4 | 74.5 | 0 | 0 | 0 | 0 | 114.3 | T115 C119 L121 | T115-S117 PolarHBondContact O-N 3.32Å; T115-S117 PolarHBondContact OG1-OG 2.79Å; T115-S117 VanDerWaalsContact OG1-OG 3.11Å; S117-C119 VanDerWaalsContact C-N 3.32Å; S117-L121 WeakPolarHBondContact O-CB 3.47Å; S117-L121 PolarHBondContact O-N 3.14Å |
| 118 | L | 81.2 | Confident | 75.1 | Confident | 63 Ų | 63 | 61.2 Ų | 61.2 | 33% | 0.33 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 177 | -75.3 | 173.1 | 0 | 0 | 0 | 110.6 | T115 L121 K122 | T115-L118 PolarHBondContact O-N 2.85Å; T115-L118 WeakPolarHBondContact OG1-CG 3.15Å; T115-L118 PolarHBondContact OG1-N 3.5Å; L118-L121 PolarHBondContact O-N 3.24Å; L118-K122 WeakPolarHBondContact O-CB 3.4Å; L118-K122 PolarHBondContact O-N 2.92Å |
| 119 | C | 81 | Confident | 76.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -44.8 | 178.9 | -163.1 | 0 | 0 | 0 | 0 | 112.7 | T115 G116 S117 K122 W123 F189 C192 | T115-C119 PolarHBondContact O-N 2.85Å; T115-C119 VanDerWaalsContact O-N 3.11Å; G116-C119 PolarHBondContact O-N 3.12Å; S117-C119 VanDerWaalsContact C-N 3.32Å; C119-K122 WeakPolarHBondContact O-CB 3.49Å; C119-K122 PolarHBondContact O-N 3.47Å; C119-W123 VanDerWaalsContact O-CD1 3.29Å; C119-W123 PolarHBondContact O-N 2.78Å; C119-W123 VanDerWaalsContact O-N 3.11Å; C119-F189 HydrophobicContact CB-CD2 3.92Å; C119-F189 HydrophobicContact CB-CE2 4.47Å; C119-C192 WeakPolarHBondContact CA-SG 3.34Å; C119-C192 HydrophobicContact CB-CB 3.86Å; C119-C192 WeakPolarHBondContact CB-SG 3.42Å; C119-C192 WeakPolarHBondContact SG-CA 3.37Å; C119-C192 WeakPolarHBondContact SG-CB 3.41Å; C119-C192 CovalentContact SG-SG 2.04Å; C119-C192 PolarHBondContact SG-SG 3.4Å |
| 120 | F | 84.8 | Confident | 78.5 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.4 | 178 | -106.6 | 0 | 0 | 0 | 111.6 | G116 K122 W123 V124 T178 L181 G182 L185 | G116-F120 WeakPolarHBondContact O-CB 3.19Å; G116-F120 PolarHBondContact O-N 3.04Å; F120-K122 VanDerWaalsContact C-N 3.31Å; F120-K122 PolarHBondContact O-N 3.33Å; F120-W123 PolarHBondContact O-N 2.96Å; F120-V124 HydrophobicContact CD1-CG1 4.38Å; F120-V124 HydrophobicContact CE1-CB 4.33Å; F120-V124 HydrophobicContact CE1-CG1 4.21Å; F120-V124 HydrophobicContact CE1-CG2 4.46Å; F120-V124 HydrophobicContact CE2-CB 4.26Å; F120-V124 HydrophobicContact CE2-CG2 4.4Å; F120-V124 HydrophobicContact CZ-CB 4.15Å; F120-V124 HydrophobicContact CZ-CG2 4.03Å; F120-V124 VanDerWaalsContact O-CB 3.26Å; F120-V124 WeakPolarHBondContact O-CB 3.43Å; F120-V124 WeakPolarHBondContact O-CG1 3.48Å; F120-V124 PolarHBondContact O-N 3.11Å; F120-T178 HydrophobicContact CZ-CG2 3.84Å; F120-L181 HydrophobicContact CE2-CB 4.34Å; F120-G182 VanDerWaalsContact CE2-CA 3.42Å; F120-L185 HydrophobicContact CB-CD1 3.66Å; F120-L185 HydrophobicContact CG-CD1 4.3Å |
| 121 | L | 85 | Confident | 80.5 | Confident | 79 Ų | 79 | 40 Ų | 40 | 41% | 0.414 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.8 | -43.6 | 178.5 | -177.7 | 64.5 | 0 | 0 | 0 | 112 | S117 L118 V124 L125 | S117-L121 WeakPolarHBondContact O-CB 3.47Å; S117-L121 PolarHBondContact O-N 3.14Å; L118-L121 PolarHBondContact O-N 3.24Å; L121-V124 WeakPolarHBondContact O-CG1 3.26Å; L121-L125 HydrophobicContact CD1-CD1 3.84Å; L121-L125 HydrophobicContact CD1-CG 4.05Å; L121-L125 HydrophobicContact CG-CD1 3.93Å; L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 WeakPolarHBondContact O-CD1 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.45Å; L121-L125 VanDerWaalsContact O-N 3.14Å |
| 122 | K | 83.9 | Confident | 82.3 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.7 | -53 | 176.3 | 169.3 | -179.5 | 137.2 | 176 | 0 | 111.4 | V97 N98 L101 L118 C119 F120 L126 C192 | V97-K122 HydrophobicContact CG1-CB 4.37Å; N98-K122 HydrophobicContact CB-CD 4.35Å; N98-K122 HydrophobicContact CB-CG 4.06Å; N98-K122 WeakPolarHBondContact OD1-CD 3.26Å; N98-K122 WeakPolarHBondContact OD1-CE 3.21Å; N98-K122 PolarHBondContact OD1-NZ 3.02Å; L101-K122 HydrophobicContact CD1-CB 4.11Å; L101-K122 HydrophobicContact CD1-CD 4.14Å; L118-K122 WeakPolarHBondContact O-CB 3.4Å; L118-K122 PolarHBondContact O-N 2.92Å; C119-K122 WeakPolarHBondContact O-CB 3.49Å; C119-K122 PolarHBondContact O-N 3.47Å; F120-K122 VanDerWaalsContact C-N 3.31Å; F120-K122 PolarHBondContact O-N 3.33Å; K122-L126 PolarHBondContact O-N 3.36Å; K122-C192 PolarHBondContact NZ-O 2.88Å |
| 123 | W | 85.8 | Confident | 84.2 | Confident | 40 Ų | 40 | 30.1 Ų | 30.1 | 15% | 0.152 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76 | -36.7 | -174.7 | -74.2 | 110.9 | 0 | 0 | 0 | 113.2 | C119 F120 L126 A127 L181 C192 V194 L197 | C119-W123 VanDerWaalsContact O-CD1 3.29Å; C119-W123 PolarHBondContact O-N 2.78Å; C119-W123 VanDerWaalsContact O-N 3.11Å; F120-W123 PolarHBondContact O-N 2.96Å; W123-L126 HydrophobicContact CE3-CD2 4.16Å; W123-L126 HydrophobicContact CZ3-CD2 3.89Å; W123-L126 PolarHBondContact O-N 3.48Å; W123-A127 WeakPolarHBondContact O-CB 3.21Å; W123-A127 PolarHBondContact O-N 3.29Å; W123-L181 HydrophobicContact CB-CD2 4Å; W123-C192 PolarHBondContact NE1-O 3.21Å; W123-V194 HydrophobicContact CD2-CB 3.78Å; W123-V194 HydrophobicContact CD2-CG2 4.01Å; W123-V194 VanDerWaalsContact CE2-N 3.3Å; W123-V194 HydrophobicContact CE3-CB 3.79Å; W123-V194 HydrophobicContact CE3-CG2 3.86Å; W123-V194 HydrophobicContact CH2-CB 3.68Å; W123-V194 HydrophobicContact CH2-CG1 4.14Å; W123-V194 HydrophobicContact CZ2-CB 3.66Å; W123-V194 HydrophobicContact CZ2-CG1 4.4Å; W123-V194 HydrophobicContact CZ3-CB 3.73Å; W123-V194 HydrophobicContact CZ3-CG1 4.36Å; W123-V194 HydrophobicContact CZ3-CG2 4.15Å; W123-L197 HydrophobicContact CB-CD2 3.66Å; W123-L197 HydrophobicContact CG-CD2 3.98Å |
| 124 | V | 88.6 | Confident | 86 | Confident | 18 Ų | 18 | 25.9 Ų | 25.9 | 11% | 0.109 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.6 | -40.1 | 178 | 77.9 | 0 | 0 | 0 | 0 | 111.1 | F120 L121 C128 T178 | F120-V124 HydrophobicContact CD1-CG1 4.38Å; F120-V124 HydrophobicContact CE1-CB 4.33Å; F120-V124 HydrophobicContact CE1-CG1 4.21Å; F120-V124 HydrophobicContact CE1-CG2 4.46Å; F120-V124 HydrophobicContact CE2-CB 4.26Å; F120-V124 HydrophobicContact CE2-CG2 4.4Å; F120-V124 HydrophobicContact CZ-CB 4.15Å; F120-V124 HydrophobicContact CZ-CG2 4.03Å; F120-V124 VanDerWaalsContact O-CB 3.26Å; F120-V124 WeakPolarHBondContact O-CB 3.43Å; F120-V124 WeakPolarHBondContact O-CG1 3.48Å; F120-V124 PolarHBondContact O-N 3.11Å; L121-V124 WeakPolarHBondContact O-CG1 3.26Å; V124-C128 WeakPolarHBondContact O-CA 3.36Å; V124-C128 WeakPolarHBondContact O-CB 3.4Å; V124-C128 PolarHBondContact O-N 3.21Å; V124-C128 PolarHBondContact O-SG 3.25Å; V124-T178 HydrophobicContact CG2-CG2 3.84Å |
| 125 | L | 90.5 | Very high | 87.5 | Confident | 31 Ų | 31 | 26.2 Ų | 26.2 | 16% | 0.162 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.7 | -74.9 | 171.1 | 0 | 0 | 0 | 111.7 | V90 F93 V97 L121 G129 | V90-L125 HydrophobicContact CG1-CD2 4.46Å; F93-L125 HydrophobicContact CD1-CD1 3.77Å; F93-L125 HydrophobicContact CD1-CD2 4.37Å; F93-L125 HydrophobicContact CE1-CD1 4.02Å; V97-L125 HydrophobicContact CG2-CD1 4.25Å; L121-L125 HydrophobicContact CD1-CD1 3.84Å; L121-L125 HydrophobicContact CD1-CG 4.05Å; L121-L125 HydrophobicContact CG-CD1 3.93Å; L121-L125 WeakPolarHBondContact O-CB 3.4Å; L121-L125 WeakPolarHBondContact O-CD1 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.45Å; L121-L125 VanDerWaalsContact O-N 3.14Å; L125-G129 WeakPolarHBondContact O-CA 3.23Å; L125-G129 PolarHBondContact O-N 3.47Å |
| 126 | L | 89.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 23.4 Ų | 23.4 | 19% | 0.194 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.6 | -47.3 | 179.2 | -170.5 | 70.1 | 0 | 0 | 0 | 111.5 | L91 I95 K122 W123 G130 | L91-L126 HydrophobicContact CD1-CD1 4.05Å; I95-L126 HydrophobicContact CG1-CD1 3.64Å; K122-L126 PolarHBondContact O-N 3.36Å; W123-L126 HydrophobicContact CE3-CD2 4.16Å; W123-L126 HydrophobicContact CZ3-CD2 3.89Å; W123-L126 PolarHBondContact O-N 3.48Å; L126-G130 PolarHBondContact O-N 3.33Å |
| 127 | A | 89 | Confident | 89.4 | Confident | 17 Ų | 17 | 23.3 Ų | 23.3 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -53 | -180 | 0 | 0 | 0 | 0 | 0 | 111.1 | W123 G129 G130 A131 I177 L181 Y210 | W123-A127 WeakPolarHBondContact O-CB 3.21Å; W123-A127 PolarHBondContact O-N 3.29Å; A127-G129 PolarHBondContact O-N 3.03Å; A127-G130 PolarHBondContact O-N 3.08Å; A127-A131 PolarHBondContact O-N 3.44Å; A127-I177 HydrophobicContact CB-CG2 3.96Å; A127-L181 HydrophobicContact CB-CD1 4.42Å; A127-L181 HydrophobicContact CB-CD2 3.7Å; A127-Y210 PolarHBondContact O-OH 2.96Å |
| 128 | C | 92.2 | Very high | 90.1 | Very high | 16 Ų | 16 | 22.3 Ų | 22.3 | 11% | 0.108 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 179.8 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | V124 G130 A131 F132 L174 T178 | V124-C128 WeakPolarHBondContact O-CA 3.36Å; V124-C128 WeakPolarHBondContact O-CB 3.4Å; V124-C128 PolarHBondContact O-N 3.21Å; V124-C128 PolarHBondContact O-SG 3.25Å; C128-G130 VanDerWaalsContact C-N 3.33Å; C128-G130 PolarHBondContact O-N 3.46Å; C128-A131 PolarHBondContact O-N 3.27Å; C128-F132 WeakPolarHBondContact O-CB 3.37Å; C128-F132 PolarHBondContact O-N 3.35Å; C128-L174 HydrophobicContact CB-CD2 4.06Å; C128-L174 WeakPolarHBondContact O-CD2 3.23Å; C128-T178 PolarHBondContact SG-OG1 3.16Å |
| 129 | G | 93.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L125 A127 F132 V133 | L125-G129 WeakPolarHBondContact O-CA 3.23Å; L125-G129 PolarHBondContact O-N 3.47Å; A127-G129 PolarHBondContact O-N 3.03Å; G129-F132 PolarHBondContact O-N 3.26Å; G129-V133 WeakPolarHBondContact O-CG2 3.24Å; G129-V133 PolarHBondContact O-N 3.04Å; G129-V133 VanDerWaalsContact O-N 3.1Å |
| 130 | G | 92.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -50.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L126 A127 C128 F132 V133 I134 | L126-G130 PolarHBondContact O-N 3.33Å; A127-G130 PolarHBondContact O-N 3.08Å; C128-G130 VanDerWaalsContact C-N 3.33Å; C128-G130 PolarHBondContact O-N 3.46Å; G130-F132 VanDerWaalsContact C-N 3.3Å; G130-F132 PolarHBondContact O-N 3.26Å; G130-V133 PolarHBondContact O-N 3.37Å; G130-I134 WeakPolarHBondContact O-CG1 3.4Å; G130-I134 PolarHBondContact O-N 3.39Å; G130-I134 VanDerWaalsContact O-N 3.09Å |
| 131 | A | 93.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A127 C128 V133 I134 D135 L174 I177 Y210 | A127-A131 PolarHBondContact O-N 3.44Å; C128-A131 PolarHBondContact O-N 3.27Å; A131-V133 VanDerWaalsContact C-N 3.33Å; A131-V133 PolarHBondContact O-N 3.39Å; A131-I134 PolarHBondContact O-N 2.83Å; A131-I134 VanDerWaalsContact O-N 3.14Å; A131-D135 WeakPolarHBondContact O-CB 3.26Å; A131-D135 PolarHBondContact O-N 2.93Å; A131-L174 HydrophobicContact CB-CD2 3.84Å; A131-I177 HydrophobicContact CB-CD1 3.21Å; A131-Y210 HydrophobicContact CB-CE1 3.84Å; A131-Y210 WeakPolarHBondContact CB-OH 3.35Å |
| 132 | F | 95.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 17.4 Ų | 17.4 | 10% | 0.101 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | -179.6 | -169.5 | -164.5 | 0 | 0 | 0 | 111.7 | L83 I86 A87 C128 G129 G130 V136 I170 L174 | L83-F132 HydrophobicContact CD2-CZ 4.21Å; I86-F132 HydrophobicContact CG2-CE1 4.08Å; A87-F132 VanDerWaalsContact CA-CD1 3.48Å; A87-F132 HydrophobicContact CB-CB 3.91Å; A87-F132 HydrophobicContact CB-CD1 3.47Å; A87-F132 VanDerWaalsContact CB-CD1 3.47Å; A87-F132 HydrophobicContact CB-CD2 4.08Å; A87-F132 HydrophobicContact CB-CE1 3.95Å; A87-F132 HydrophobicContact CB-CE2 4.5Å; A87-F132 HydrophobicContact CB-CG 3.52Å; A87-F132 HydrophobicContact CB-CZ 4.43Å; C128-F132 WeakPolarHBondContact O-CB 3.37Å; C128-F132 PolarHBondContact O-N 3.35Å; G129-F132 PolarHBondContact O-N 3.26Å; G130-F132 VanDerWaalsContact C-N 3.3Å; G130-F132 PolarHBondContact O-N 3.26Å; F132-V136 HydrophobicContact CD2-CG2 3.54Å; F132-V136 HydrophobicContact CE2-CG2 3.37Å; F132-V136 HydrophobicContact CZ-CG2 4.38Å; F132-V136 WeakPolarHBondContact O-CB 3.43Å; F132-V136 VanDerWaalsContact O-CG2 3.26Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 2.99Å; F132-I170 HydrophobicContact CD2-CG2 3.66Å; F132-I170 HydrophobicContact CE2-CD1 4.22Å; F132-I170 HydrophobicContact CE2-CG2 3.84Å; F132-L174 HydrophobicContact CB-CD1 4.32Å; F132-L174 HydrophobicContact CB-CD2 4.13Å; F132-L174 HydrophobicContact CD2-CD1 4.45Å; F132-L174 HydrophobicContact CG-CD1 4.29Å |
| 133 | V | 95 | Very high | 91.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L84 A87 Y88 L91 G129 G130 A131 S137 F268 | L84-V133 HydrophobicContact CD1-CG1 4.15Å; A87-V133 HydrophobicContact CB-CB 4.39Å; A87-V133 HydrophobicContact CB-CG2 3.63Å; Y88-V133 HydrophobicContact CD1-CG1 4.47Å; Y88-V133 HydrophobicContact CD1-CG2 3.81Å; Y88-V133 HydrophobicContact CE1-CG1 3.79Å; Y88-V133 HydrophobicContact CE1-CG2 3.97Å; Y88-V133 HydrophobicContact CG-CG2 4.39Å; L91-V133 HydrophobicContact CD2-CG2 4.17Å; G129-V133 WeakPolarHBondContact O-CG2 3.24Å; G129-V133 PolarHBondContact O-N 3.04Å; G129-V133 VanDerWaalsContact O-N 3.1Å; G130-V133 PolarHBondContact O-N 3.37Å; A131-V133 VanDerWaalsContact C-N 3.33Å; A131-V133 PolarHBondContact O-N 3.39Å; V133-S137 VanDerWaalsContact O-CB 3.23Å; V133-S137 WeakPolarHBondContact O-CB 3.39Å; V133-S137 PolarHBondContact O-N 2.86Å; V133-S137 PolarHBondContact O-OG 3.43Å; V133-F268 HydrophobicContact CG1-CE2 4.26Å |
| 134 | I | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.6 | -49.9 | 179.8 | -66.8 | 167.3 | 0 | 0 | 0 | 110.6 | G130 A131 V136 S137 F138 Y210 L213 I214 | G130-I134 WeakPolarHBondContact O-CG1 3.4Å; G130-I134 PolarHBondContact O-N 3.39Å; G130-I134 VanDerWaalsContact O-N 3.09Å; A131-I134 PolarHBondContact O-N 2.83Å; A131-I134 VanDerWaalsContact O-N 3.14Å; I134-V136 PolarHBondContact O-N 2.99Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 3.27Å; I134-F138 WeakPolarHBondContact O-CB 3.48Å; I134-F138 PolarHBondContact O-N 3.17Å; I134-Y210 HydrophobicContact CD1-CD1 4.27Å; I134-Y210 HydrophobicContact CD1-CD2 4.01Å; I134-Y210 HydrophobicContact CD1-CG 3.79Å; I134-L213 HydrophobicContact CG2-CB 3.48Å; I134-L213 VanDerWaalsContact CG2-CB 3.48Å; I134-L213 HydrophobicContact CG2-CD1 4.14Å; I134-L213 HydrophobicContact CG2-CG 4.45Å; I134-I214 HydrophobicContact CD1-CD1 3.94Å; I134-I214 HydrophobicContact CD1-CG1 3.99Å; I134-I214 HydrophobicContact CG1-CD1 4.34Å; I134-I214 HydrophobicContact CG1-CG1 3.99Å; I134-I214 HydrophobicContact CG2-CG1 4.38Å |
| 135 | D | 95.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 16 Ų | 16 | 8% | 0.075 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | -177.6 | -71.1 | -14.1 | 0 | 0 | 0 | 112.2 | A131 S137 F138 L139 I170 H173 | A131-D135 WeakPolarHBondContact O-CB 3.26Å; A131-D135 PolarHBondContact O-N 2.93Å; D135-S137 VanDerWaalsContact C-N 3.28Å; D135-S137 PolarHBondContact O-N 3.39Å; D135-F138 PolarHBondContact O-N 3.17Å; D135-L139 WeakPolarHBondContact O-CB 3.47Å; D135-L139 VanDerWaalsContact O-CG 3.26Å; D135-L139 WeakPolarHBondContact O-CG 3.46Å; D135-L139 PolarHBondContact O-N 3.16Å; D135-I170 HydrophobicContact CB-CG1 4.12Å; D135-I170 HydrophobicContact CB-CG2 4.49Å; D135-H173 IonicContact OD1-CE1 3.3Å; D135-H173 PolarHBondContact OD1-CE1 3.48Å; D135-H173 VanDerWaalsContact OD1-CE1 3.3Å; D135-H173 IonicContact OD1-ND1 2.85Å; D135-H173 PolarHBondContact OD1-ND1 2.93Å; D135-H173 IonicContact OD2-CE1 3.8Å; D135-H173 IonicContact OD2-CG 3.61Å; D135-H173 IonicContact OD2-ND1 2.77Å; D135-H173 PolarHBondContact OD2-ND1 3.03Å |
| 136 | V | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 110.1 | L80 L83 L84 F132 I134 L139 I140 I170 | L80-V136 WeakPolarHBondContact O-CG1 3.41Å; L83-V136 HydrophobicContact CB-CG1 4.24Å; L83-V136 HydrophobicContact CB-CG2 4.12Å; L84-V136 HydrophobicContact CB-CG1 3.78Å; L84-V136 HydrophobicContact CD1-CG1 4.37Å; F132-V136 HydrophobicContact CD2-CG2 3.54Å; F132-V136 HydrophobicContact CE2-CG2 3.37Å; F132-V136 HydrophobicContact CZ-CG2 4.38Å; F132-V136 WeakPolarHBondContact O-CB 3.43Å; F132-V136 VanDerWaalsContact O-CG2 3.26Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 2.99Å; I134-V136 PolarHBondContact O-N 2.99Å; V136-L139 PolarHBondContact O-N 2.78Å; V136-I140 HydrophobicContact CG1-CD1 3.85Å; V136-I140 HydrophobicContact CG1-CG1 4.34Å; V136-I140 WeakPolarHBondContact O-CB 3.27Å; V136-I140 WeakPolarHBondContact O-CG1 3.06Å; V136-I140 PolarHBondContact O-N 3.42Å; V136-I170 HydrophobicContact CG2-CD1 3.92Å |
| 137 | S | 94.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | V133 I134 D135 I140 A141 Y221 F261 | V133-S137 VanDerWaalsContact O-CB 3.23Å; V133-S137 WeakPolarHBondContact O-CB 3.39Å; V133-S137 PolarHBondContact O-N 2.86Å; V133-S137 PolarHBondContact O-OG 3.43Å; I134-S137 WeakPolarHBondContact O-CB 3.49Å; I134-S137 PolarHBondContact O-N 3.27Å; D135-S137 VanDerWaalsContact C-N 3.28Å; D135-S137 PolarHBondContact O-N 3.39Å; S137-I140 PolarHBondContact O-N 3.04Å; S137-A141 PolarHBondContact O-N 2.87Å; S137-Y221 PolarHBondContact O-OH 2.97Å; S137-F261 VanDerWaalsContact OG-CD2 3.24Å; S137-F261 WeakPolarHBondContact OG-CD2 3.16Å |
| 138 | F | 93.9 | Very high | 89.2 | Confident | 59 Ų | 59 | 15.5 Ų | 15.5 | 26% | 0.259 | 9% | 0.086 | S | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.7 | 177.8 | -102.8 | 0 | 0 | 0 | 111.1 | I134 D135 I140 A141 F142 A216 T217 | I134-F138 WeakPolarHBondContact O-CB 3.48Å; I134-F138 PolarHBondContact O-N 3.17Å; D135-F138 PolarHBondContact O-N 3.17Å; F138-I140 VanDerWaalsContact C-N 3.34Å; F138-I140 PolarHBondContact O-N 3.24Å; F138-A141 WeakPolarHBondContact O-CB 3.46Å; F138-A141 PolarHBondContact O-N 3.18Å; F138-A141 VanDerWaalsContact O-N 3.16Å; F138-F142 WeakPolarHBondContact O-CB 3.26Å; F138-F142 PolarHBondContact O-N 3.28Å; F138-A216 HydrophobicContact CE2-CB 4.2Å; F138-T217 WeakPolarHBondContact CA-OG1 3.34Å; F138-T217 WeakPolarHBondContact CB-OG1 3.37Å; F138-T217 WeakPolarHBondContact CD2-OG1 3.27Å |
| 139 | L | 93 | Very high | 88.2 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 179 | -73.1 | 173.2 | 0 | 0 | 0 | 112.8 | L80 D135 V136 D143 K166 I170 | L80-L139 HydrophobicContact CD2-CB 4.44Å; D135-L139 WeakPolarHBondContact O-CB 3.47Å; D135-L139 VanDerWaalsContact O-CG 3.26Å; D135-L139 WeakPolarHBondContact O-CG 3.46Å; D135-L139 PolarHBondContact O-N 3.16Å; V136-L139 PolarHBondContact O-N 2.78Å; L139-D143 WeakPolarHBondContact O-CB 3.3Å; L139-D143 PolarHBondContact O-N 2.93Å; L139-K166 HydrophobicContact CD1-CB 3.95Å; L139-K166 HydrophobicContact CD1-CG 4.33Å; L139-K166 HydrophobicContact CD2-CB 4.35Å; L139-K166 HydrophobicContact CD2-CD 4.26Å; L139-K166 HydrophobicContact CD2-CG 3.89Å; L139-I170 HydrophobicContact CD1-CD1 3.57Å; L139-I170 HydrophobicContact CD1-CG1 3.55Å |
| 140 | I | 91.1 | Very high | 86.9 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 171.8 | -71.7 | 167.1 | 0 | 0 | 0 | 109.9 | L80 V81 L84 V136 S137 F138 D143 R144 L257 | L80-I140 HydrophobicContact CB-CD1 4.13Å; L80-I140 HydrophobicContact CB-CG1 3.61Å; L80-I140 HydrophobicContact CD1-CG1 4.07Å; L80-I140 HydrophobicContact CG-CG1 4.39Å; V81-I140 HydrophobicContact CG2-CD1 4.45Å; L84-I140 HydrophobicContact CB-CD1 4.39Å; L84-I140 HydrophobicContact CD2-CD1 4.22Å; V136-I140 HydrophobicContact CG1-CD1 3.85Å; V136-I140 HydrophobicContact CG1-CG1 4.34Å; V136-I140 WeakPolarHBondContact O-CB 3.27Å; V136-I140 WeakPolarHBondContact O-CG1 3.06Å; V136-I140 PolarHBondContact O-N 3.42Å; S137-I140 PolarHBondContact O-N 3.04Å; F138-I140 VanDerWaalsContact C-N 3.34Å; F138-I140 PolarHBondContact O-N 3.24Å; I140-D143 PolarHBondContact O-N 3.37Å; I140-R144 VanDerWaalsContact O-CG 3.26Å; I140-R144 WeakPolarHBondContact O-CG 3.31Å; I140-R144 PolarHBondContact O-N 2.69Å; I140-L257 HydrophobicContact CG2-CD1 3.72Å; I140-L257 HydrophobicContact CG2-CD2 4.36Å |
| 141 | A | 90.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S137 F138 D143 R144 C145 T217 M220 Y221 | S137-A141 PolarHBondContact O-N 2.87Å; F138-A141 WeakPolarHBondContact O-CB 3.46Å; F138-A141 PolarHBondContact O-N 3.18Å; F138-A141 VanDerWaalsContact O-N 3.16Å; A141-D143 PolarHBondContact O-N 3.4Å; A141-R144 PolarHBondContact O-N 2.94Å; A141-C145 PolarHBondContact O-N 3Å; A141-C145 PolarHBondContact O-SG 2.68Å; A141-T217 HydrophobicContact CB-CG2 4.14Å; A141-M220 HydrophobicContact CB-CB 3.95Å; A141-Y221 HydrophobicContact CB-CD1 3.97Å; A141-Y221 HydrophobicContact CB-CD2 4.24Å; A141-Y221 HydrophobicContact CB-CE1 3.75Å; A141-Y221 HydrophobicContact CB-CE2 4.05Å; A141-Y221 HydrophobicContact CB-CG 4.19Å |
| 142 | F | 90.1 | Very high | 83.3 | Confident | 73 Ų | 73 | 36.7 Ų | 36.7 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 177.5 | -179.8 | -112.3 | 0 | 0 | 0 | 112.3 | F138 R144 C145 A146 W162 M220 | F138-F142 WeakPolarHBondContact O-CB 3.26Å; F138-F142 PolarHBondContact O-N 3.28Å; F142-R144 PolarHBondContact O-N 3.22Å; F142-C145 PolarHBondContact O-N 3.18Å; F142-A146 VanDerWaalsContact O-CB 3.23Å; F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 2.9Å; F142-W162 HydrophobicContact CD1-CZ2 4.41Å; F142-W162 AromaticContact CE1-CH2 4Å; F142-W162 HydrophobicContact CE1-CH2 4Å; F142-W162 AromaticContact CE1-CZ2 3.54Å; F142-W162 HydrophobicContact CE1-CZ2 3.54Å; F142-W162 HydrophobicContact CZ-CH2 4.49Å; F142-W162 HydrophobicContact CZ-CZ2 4.32Å; F142-M220 HydrophobicContact CB-CE 4.3Å; F142-M220 HydrophobicContact CD2-CE 3.87Å |
| 143 | D | 86.1 | Confident | 81.3 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.1 | -35.3 | 176.9 | -97.6 | -0 | 0 | 0 | 0 | 113.2 | L80 L139 I140 A141 G147 Y155 W162 K166 | L80-D143 HydrophobicContact CD1-CB 4.5Å; L80-D143 WeakPolarHBondContact CD1-OD2 3.38Å; L139-D143 WeakPolarHBondContact O-CB 3.3Å; L139-D143 PolarHBondContact O-N 2.93Å; I140-D143 PolarHBondContact O-N 3.37Å; A141-D143 PolarHBondContact O-N 3.4Å; D143-G147 PolarHBondContact O-N 2.78Å; D143-Y155 VanDerWaalsContact CG-OH 3.27Å; D143-Y155 PolarHBondContact OD1-OH 3.39Å; D143-W162 PolarHBondContact OD1-NE1 3.16Å; D143-K166 WeakPolarHBondContact OD1-CE 3.34Å; D143-K166 IonicContact OD1-NZ 2.62Å; D143-K166 PolarHBondContact OD1-NZ 3.45Å; D143-K166 IonicContact OD2-NZ 2.6Å; D143-K166 PolarHBondContact OD2-NZ 3.07Å |
| 144 | R | 83.1 | Confident | 79.2 | Confident | 32 Ų | 32 | 45.1 Ų | 45.1 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.6 | -41.3 | 178.3 | -66.9 | -63.8 | 173.7 | 116.2 | 15.5 | 112.3 | I140 A141 F142 S148 M253 L254 | I140-R144 VanDerWaalsContact O-CG 3.26Å; I140-R144 WeakPolarHBondContact O-CG 3.31Å; I140-R144 PolarHBondContact O-N 2.69Å; A141-R144 PolarHBondContact O-N 2.94Å; F142-R144 PolarHBondContact O-N 3.22Å; R144-S148 WeakPolarHBondContact O-CB 3.33Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 PolarHBondContact O-OG 3.43Å; R144-M253 VanDerWaalsContact CZ-SD 3.56Å; R144-M253 VanDerWaalsContact NH1-CG 3.33Å; R144-M253 PolarHBondContact NH1-SD 3.4Å; R144-M253 PolarHBondContact NH2-SD 3.01Å; R144-L254 HydrophobicContact CB-CD1 3.72Å; R144-L254 HydrophobicContact CG-CD1 3.78Å |
| 145 | C | 84 | Confident | 77.5 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.9 | -50.1 | 175.9 | -66 | 0 | 0 | 0 | 0 | 110.6 | A141 F142 G147 S148 M149 M220 | A141-C145 PolarHBondContact O-N 3Å; A141-C145 PolarHBondContact O-SG 2.68Å; F142-C145 PolarHBondContact O-N 3.18Å; C145-G147 PolarHBondContact O-N 2.85Å; C145-S148 PolarHBondContact O-N 3.26Å; C145-S148 PolarHBondContact O-OG 3.24Å; C145-M149 PolarHBondContact O-N 2.95Å; C145-M149 VanDerWaalsContact O-N 3.16Å; C145-M220 HydrophobicContact CB-CE 3.6Å; C145-M220 PolarHBondContact SG-O 3.14Å |
| 146 | A | 82.2 | Confident | 75.6 | Confident | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -48.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | F142 S148 M149 F150 Y155 | F142-A146 VanDerWaalsContact O-CB 3.23Å; F142-A146 WeakPolarHBondContact O-CB 3.5Å; F142-A146 PolarHBondContact O-N 2.9Å; A146-S148 PolarHBondContact O-N 3.43Å; A146-M149 PolarHBondContact O-N 3.39Å; A146-M149 VanDerWaalsContact O-N 3.07Å; A146-F150 HydrophobicContact CB-CD2 4.11Å; A146-F150 HydrophobicContact CB-CE2 4.35Å; A146-F150 WeakPolarHBondContact O-CD2 3.45Å; A146-F150 PolarHBondContact O-N 3.38Å; A146-Y155 HydrophobicContact CB-CE2 4.29Å |
| 147 | G | 72.7 | Confident | 73.8 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -8.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D143 C145 | D143-G147 PolarHBondContact O-N 2.78Å; C145-G147 PolarHBondContact O-N 2.85Å |
| 148 | S | 68.2 | Low | 72.4 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -100.9 | -17.5 | 174.1 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | R144 C145 A146 W227 | R144-S148 WeakPolarHBondContact O-CB 3.33Å; R144-S148 PolarHBondContact O-N 3.05Å; R144-S148 PolarHBondContact O-OG 3.43Å; C145-S148 PolarHBondContact O-N 3.26Å; C145-S148 PolarHBondContact O-OG 3.24Å; A146-S148 PolarHBondContact O-N 3.43Å; S148-W227 VanDerWaalsContact CB-CD1 3.45Å; S148-W227 PolarHBondContact O-NE1 2.87Å; S148-W227 PolarHBondContact OG-NE1 3.46Å |
| 149 | M | 69.3 | Low | 71.3 | Confident | 106 Ų | 106 | 59.3 Ų | 59.3 | 52% | 0.522 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -99.1 | -40.1 | 177.4 | -69.7 | -163.6 | 179.6 | 0 | 0 | 112.6 | C145 A146 F223 | C145-M149 PolarHBondContact O-N 2.95Å; C145-M149 VanDerWaalsContact O-N 3.16Å; A146-M149 PolarHBondContact O-N 3.39Å; A146-M149 VanDerWaalsContact O-N 3.07Å; M149-F223 HydrophobicContact CE-CD1 4.23Å; M149-F223 HydrophobicContact CE-CE1 3.13Å; M149-F223 HydrophobicContact CE-CE2 4.38Å; M149-F223 HydrophobicContact CE-CZ 3.23Å |
| 150 | F | 67.8 | Low | 70.6 | Confident | 127 Ų | 127 | 69.5 Ų | 69.5 | 56% | 0.557 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -90.4 | 135.4 | -177.5 | -64.2 | -72.3 | 0 | 0 | 0 | 111.2 | A146 L152 | A146-F150 HydrophobicContact CB-CD2 4.11Å; A146-F150 HydrophobicContact CB-CE2 4.35Å; A146-F150 WeakPolarHBondContact O-CD2 3.45Å; A146-F150 PolarHBondContact O-N 3.38Å; F150-L152 PolarHBondContact O-N 2.9Å |
| 151 | D | 55.6 | Low | 70.2 | Confident | 137 Ų | 137 | 78 Ų | 78 | 73% | 0.733 | 41% | 0.405 | S | S | * | . | trans | -59.8 | 135.8 | 174.7 | -118.8 | -25.3 | 0 | 0 | 0 | 110.5 | S153 S154 | D151-S153 PolarHBondContact O-N 3.02Å; D151-S154 PolarHBondContact O-N 3.11Å | ||
| 152 | L | 54.7 | Low | 69.8 | Low | 92 Ų | 92 | 81.6 Ų | 81.6 | 48% | 0.482 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.4 | -30 | -168.7 | -82.8 | 101.9 | 0 | 0 | 0 | 113.1 | F150 H156 | F150-L152 PolarHBondContact O-N 2.9Å; L152-H156 VanDerWaalsContact O-CB 3.25Å; L152-H156 WeakPolarHBondContact O-CB 3.39Å; L152-H156 VanDerWaalsContact O-CG 3.31Å; L152-H156 PolarHBondContact O-N 3.12Å; L152-H156 PolarHBondContact O-ND1 3.46Å |
| 153 | S | 51.8 | Low | 69.6 | Low | 97 Ų | 97 | 79.5 Ų | 79.5 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.6 | -55.1 | -177.4 | -174.2 | 0 | 0 | 0 | 0 | 112.5 | D151 Y155 H156 C157 | D151-S153 PolarHBondContact O-N 3.02Å; S153-Y155 PolarHBondContact O-N 3.38Å; S153-H156 PolarHBondContact O-N 2.94Å; S153-C157 PolarHBondContact O-N 2.85Å |
| 154 | S | 52.6 | Low | 69.7 | Low | 104 Ų | 104 | 86 Ų | 86 | 73% | 0.727 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -69.3 | -33.7 | -178.4 | -64.3 | 0 | 0 | 0 | 0 | 112.4 | D151 | D151-S154 PolarHBondContact O-N 3.11Å |
| 155 | Y | 56.4 | Low | 70 | Confident | 43 Ų | 43 | 85.7 Ų | 85.7 | 17% | 0.169 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -73.3 | -28.7 | 178.5 | -173.7 | -93.9 | 0 | 0 | 0 | 112.8 | D143 A146 S153 W162 | D143-Y155 VanDerWaalsContact CG-OH 3.27Å; D143-Y155 PolarHBondContact OD1-OH 3.39Å; A146-Y155 HydrophobicContact CB-CE2 4.29Å; S153-Y155 PolarHBondContact O-N 3.38Å; Y155-W162 HydrophobicContact CE2-CZ2 4.44Å; Y155-W162 AromaticContact CE2-NE1 3.58Å; Y155-W162 AromaticContact CZ-CD1 3.88Å; Y155-W162 AromaticContact CZ-NE1 3.64Å; Y155-W162 PolarHBondContact OH-NE1 3Å |
| 156 | H | 54.9 | Low | 70.3 | Confident | 95 Ų | 95 | 85.7 Ų | 85.7 | 44% | 0.44 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -84.3 | -29.3 | -177.2 | -81.6 | 62.4 | 0 | 0 | 0 | 114.5 | L152 S153 G158 K159 | L152-H156 VanDerWaalsContact O-CB 3.25Å; L152-H156 WeakPolarHBondContact O-CB 3.39Å; L152-H156 VanDerWaalsContact O-CG 3.31Å; L152-H156 PolarHBondContact O-N 3.12Å; L152-H156 PolarHBondContact O-ND1 3.46Å; S153-H156 PolarHBondContact O-N 2.94Å; H156-G158 PolarHBondContact O-N 3Å; H156-K159 WeakPolarHBondContact O-CB 3.36Å; H156-K159 PolarHBondContact O-N 3.31Å; H156-K159 VanDerWaalsContact O-N 3.08Å |
| 157 | C | 57.4 | Low | 70.7 | Confident | 127 Ų | 127 | 88.5 Ų | 88.5 | 86% | 0.858 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.1 | -176.4 | -120.7 | 0 | 0 | 0 | 0 | 113 | S153 | S153-C157 PolarHBondContact O-N 2.85Š|
| 158 | G | 64.6 | Low | 71.7 | Confident | 30 Ų | 30 | 88.7 Ų | 88.7 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 17.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | H156 R160 W161 W162 | H156-G158 PolarHBondContact O-N 3Å; G158-R160 VanDerWaalsContact C-N 3.31Å; G158-R160 PolarHBondContact O-N 2.89Å; G158-W161 PolarHBondContact O-N 2.83Å; G158-W162 WeakPolarHBondContact O-CB 3.41Å; G158-W162 PolarHBondContact O-N 3.4Å |
| 159 | K | 71.2 | Confident | 72.9 | Confident | 77 Ų | 77 | 92.1 Ų | 92.1 | 34% | 0.335 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -48.6 | -43.4 | -164.9 | -171 | 178.1 | 174.3 | -178.6 | 0 | 115.4 | Q74 N76 H156 L163 | Q74-K159 PolarHBondContact O-NZ 2.75Å; N76-K159 VanDerWaalsContact CG-CE 3.49Å; N76-K159 WeakPolarHBondContact ND2-CG 3.3Å; N76-K159 WeakPolarHBondContact OD1-CE 3.45Å; H156-K159 WeakPolarHBondContact O-CB 3.36Å; H156-K159 PolarHBondContact O-N 3.31Å; H156-K159 VanDerWaalsContact O-N 3.08Å; K159-L163 PolarHBondContact O-N 3.29Å |
| 160 | R | 77.6 | Confident | 74.1 | Confident | 227 Ų | 227 | 87.3 Ų | 87.3 | 86% | 0.857 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -73.1 | -45.2 | 178.7 | -74.6 | -175.7 | 180 | 158.4 | 0.6 | 112.4 | G158 W162 L163 F164 | G158-R160 VanDerWaalsContact C-N 3.31Å; G158-R160 PolarHBondContact O-N 2.89Å; R160-W162 VanDerWaalsContact C-N 3.26Å; R160-W162 PolarHBondContact O-N 2.97Å; R160-L163 PolarHBondContact O-N 2.65Å; R160-F164 PolarHBondContact O-N 3.18Å |
| 161 | W | 82.8 | Confident | 75.3 | Confident | 180 Ų | 180 | 84 Ų | 84 | 68% | 0.682 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.6 | -37.9 | 177.8 | -177.2 | 81 | 0 | 0 | 0 | 111.3 | G158 F164 A165 | G158-W161 PolarHBondContact O-N 2.83Å; W161-F164 WeakPolarHBondContact O-CB 3.46Å; W161-F164 PolarHBondContact O-N 3.23Å; W161-A165 WeakPolarHBondContact O-CB 3.42Å; W161-A165 PolarHBondContact O-N 2.96Å |
| 162 | W | 83.4 | Confident | 77.2 | Confident | 76 Ų | 76 | 82.9 Ų | 82.9 | 29% | 0.288 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 175.8 | -171.1 | -120.4 | 0 | 0 | 0 | 113.1 | F142 D143 Y155 G158 R160 F164 A165 K166 | F142-W162 HydrophobicContact CD1-CZ2 4.41Å; F142-W162 AromaticContact CE1-CH2 4Å; F142-W162 HydrophobicContact CE1-CH2 4Å; F142-W162 AromaticContact CE1-CZ2 3.54Å; F142-W162 HydrophobicContact CE1-CZ2 3.54Å; F142-W162 HydrophobicContact CZ-CH2 4.49Å; F142-W162 HydrophobicContact CZ-CZ2 4.32Å; D143-W162 PolarHBondContact OD1-NE1 3.16Å; Y155-W162 HydrophobicContact CE2-CZ2 4.44Å; Y155-W162 AromaticContact CE2-NE1 3.58Å; Y155-W162 AromaticContact CZ-CD1 3.88Å; Y155-W162 AromaticContact CZ-NE1 3.64Å; Y155-W162 PolarHBondContact OH-NE1 3Å; G158-W162 WeakPolarHBondContact O-CB 3.41Å; G158-W162 PolarHBondContact O-N 3.4Å; R160-W162 VanDerWaalsContact C-N 3.26Å; R160-W162 PolarHBondContact O-N 2.97Å; W162-F164 VanDerWaalsContact C-N 3.34Å; W162-A165 PolarHBondContact O-N 2.95Å; W162-K166 VanDerWaalsContact CD1-CE 3.49Å; W162-K166 VanDerWaalsContact NE1-NZ 3.12Å; W162-K166 WeakPolarHBondContact O-CG 3.29Å; W162-K166 PolarHBondContact O-N 3.37Å; W162-K166 VanDerWaalsContact O-N 3.16Å |
| 163 | L | 85.2 | Confident | 79.1 | Confident | 30 Ų | 30 | 79.6 Ų | 79.6 | 16% | 0.157 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 171.6 | -79.3 | 177.8 | 0 | 0 | 0 | 111.4 | N76 I79 K159 R160 A165 K166 M167 | N76-L163 HydrophobicContact CB-CD2 3.95Å; N76-L163 HydrophobicContact CB-CG 4.47Å; N76-L163 VanDerWaalsContact OD1-CD1 3.25Å; N76-L163 WeakPolarHBondContact OD1-CD1 3.21Å; I79-L163 HydrophobicContact CD1-CD1 3.91Å; K159-L163 PolarHBondContact O-N 3.29Å; R160-L163 PolarHBondContact O-N 2.65Å; L163-A165 PolarHBondContact O-N 3.43Å; L163-K166 WeakPolarHBondContact O-CB 3.4Å; L163-K166 PolarHBondContact O-N 3.46Å; L163-M167 WeakPolarHBondContact O-CG 3.11Å; L163-M167 PolarHBondContact O-N 2.76Å |
| 164 | F | 88.4 | Confident | 81.1 | Confident | 147 Ų | 147 | 76.6 Ų | 76.6 | 65% | 0.645 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.5 | -44.9 | 177.4 | -178.6 | -95.5 | 0 | 0 | 0 | 112 | R160 W161 W162 K166 M167 A168 | R160-F164 PolarHBondContact O-N 3.18Å; W161-F164 WeakPolarHBondContact O-CB 3.46Å; W161-F164 PolarHBondContact O-N 3.23Å; W162-F164 VanDerWaalsContact C-N 3.34Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 2.85Å; F164-M167 PolarHBondContact O-N 2.94Å; F164-M167 VanDerWaalsContact O-N 3.15Å; F164-A168 WeakPolarHBondContact O-CB 3.44Å; F164-A168 PolarHBondContact O-N 3.32Å |
| 165 | A | 88.9 | Confident | 83.1 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 21% | 0.207 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | W161 W162 L163 A168 L169 | W161-A165 WeakPolarHBondContact O-CB 3.42Å; W161-A165 PolarHBondContact O-N 2.96Å; W162-A165 PolarHBondContact O-N 2.95Å; L163-A165 PolarHBondContact O-N 3.43Å; A165-A168 PolarHBondContact O-N 3.5Å; A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.25Å |
| 166 | K | 90.4 | Very high | 84.8 | Confident | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.1 | -69.1 | 176.7 | -170.7 | 151.5 | 0 | 112.7 | L139 D143 W162 L163 F164 A168 L169 I170 | L139-K166 HydrophobicContact CD1-CB 3.95Å; L139-K166 HydrophobicContact CD1-CG 4.33Å; L139-K166 HydrophobicContact CD2-CB 4.35Å; L139-K166 HydrophobicContact CD2-CD 4.26Å; L139-K166 HydrophobicContact CD2-CG 3.89Å; D143-K166 WeakPolarHBondContact OD1-CE 3.34Å; D143-K166 IonicContact OD1-NZ 2.62Å; D143-K166 PolarHBondContact OD1-NZ 3.45Å; D143-K166 IonicContact OD2-NZ 2.6Å; D143-K166 PolarHBondContact OD2-NZ 3.07Å; W162-K166 VanDerWaalsContact CD1-CE 3.49Å; W162-K166 VanDerWaalsContact NE1-NZ 3.12Å; W162-K166 WeakPolarHBondContact O-CG 3.29Å; W162-K166 PolarHBondContact O-N 3.37Å; W162-K166 VanDerWaalsContact O-N 3.16Å; L163-K166 WeakPolarHBondContact O-CB 3.4Å; L163-K166 PolarHBondContact O-N 3.46Å; F164-K166 VanDerWaalsContact C-N 3.29Å; F164-K166 PolarHBondContact O-N 2.85Å; K166-A168 PolarHBondContact O-N 2.96Å; K166-L169 PolarHBondContact O-N 3.15Å; K166-I170 WeakPolarHBondContact O-CG1 3.25Å; K166-I170 PolarHBondContact O-N 2.83Å |
| 167 | M | 92 | Very high | 86.4 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 32% | 0.315 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 178.2 | -63.5 | -46.8 | -62.1 | 0 | 0 | 111.4 | L83 L163 F164 I170 S171 | L83-M167 HydrophobicContact CD1-CE 3.81Å; L83-M167 HydrophobicContact CD1-SD 3.38Å; L83-M167 WeakPolarHBondContact CD1-SD 3.34Å; L83-M167 HydrophobicContact CD2-CE 3.9Å; L163-M167 WeakPolarHBondContact O-CG 3.11Å; L163-M167 PolarHBondContact O-N 2.76Å; F164-M167 PolarHBondContact O-N 2.94Å; F164-M167 VanDerWaalsContact O-N 3.15Å; M167-I170 HydrophobicContact CE-CD1 4.43Å; M167-I170 HydrophobicContact SD-CD1 4.19Å; M167-S171 WeakPolarHBondContact O-CB 3.31Å; M167-S171 PolarHBondContact O-N 3.33Å; M167-S171 PolarHBondContact O-OG 3.47Å |
| 168 | A | 92.9 | Very high | 87.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F164 A165 K166 S171 I172 | F164-A168 WeakPolarHBondContact O-CB 3.44Å; F164-A168 PolarHBondContact O-N 3.32Å; A165-A168 PolarHBondContact O-N 3.5Å; K166-A168 PolarHBondContact O-N 2.96Å; A168-S171 PolarHBondContact O-N 3.5Å; A168-I172 WeakPolarHBondContact O-CB 3.44Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.42Å; A168-I172 PolarHBondContact O-N 3.44Å |
| 169 | L | 93.3 | Very high | 89 | Confident | 111 Ų | 111 | 71.8 Ų | 71.8 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.1 | -47.6 | 176.6 | -73.5 | 172.2 | 0 | 0 | 0 | 112.5 | A165 K166 S171 I172 H173 | A165-L169 WeakPolarHBondContact O-CG 3.37Å; A165-L169 PolarHBondContact O-N 3.25Å; K166-L169 PolarHBondContact O-N 3.15Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.25Å; L169-I172 PolarHBondContact O-N 2.85Å; L169-H173 PolarHBondContact O-N 2.89Å |
| 170 | I | 93.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 71.7 Ų | 71.7 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 174.5 | -60.7 | 170.8 | 0 | 0 | 0 | 109.5 | F132 D135 V136 L139 K166 M167 I172 H173 L174 | F132-I170 HydrophobicContact CD2-CG2 3.66Å; F132-I170 HydrophobicContact CE2-CD1 4.22Å; F132-I170 HydrophobicContact CE2-CG2 3.84Å; D135-I170 HydrophobicContact CB-CG1 4.12Å; D135-I170 HydrophobicContact CB-CG2 4.49Å; V136-I170 HydrophobicContact CG2-CD1 3.92Å; L139-I170 HydrophobicContact CD1-CD1 3.57Å; L139-I170 HydrophobicContact CD1-CG1 3.55Å; K166-I170 WeakPolarHBondContact O-CG1 3.25Å; K166-I170 PolarHBondContact O-N 2.83Å; M167-I170 HydrophobicContact CE-CD1 4.43Å; M167-I170 HydrophobicContact SD-CD1 4.19Å; I170-I172 VanDerWaalsContact C-N 3.35Å; I170-I172 PolarHBondContact O-N 2.89Å; I170-H173 PolarHBondContact O-N 3.18Å; I170-L174 HydrophobicContact CG2-CD1 3.78Å; I170-L174 HydrophobicContact CG2-CG 4.09Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.41Å; I170-L174 PolarHBondContact O-N 3.28Å |
| 171 | S | 94.5 | Very high | 89.9 | Confident | 58 Ų | 58 | 61.4 Ų | 61.4 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | -177 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | M167 A168 L169 H173 L174 I175 | M167-S171 WeakPolarHBondContact O-CB 3.31Å; M167-S171 PolarHBondContact O-N 3.33Å; M167-S171 PolarHBondContact O-OG 3.47Å; A168-S171 PolarHBondContact O-N 3.5Å; L169-S171 VanDerWaalsContact C-N 3.31Å; L169-S171 PolarHBondContact O-N 3.25Å; S171-H173 PolarHBondContact O-N 3.28Å; S171-L174 PolarHBondContact O-N 3.28Å; S171-I175 WeakPolarHBondContact O-CB 3.49Å; S171-I175 WeakPolarHBondContact O-CD1 3.45Å; S171-I175 WeakPolarHBondContact O-CG1 3.47Å; S171-I175 PolarHBondContact O-N 3.39Å |
| 172 | I | 95.3 | Very high | 89.7 | Confident | 113 Ų | 113 | 54 Ų | 54 | 58% | 0.579 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.7 | -44.1 | 177 | -69.7 | 165.8 | 0 | 0 | 0 | 110.6 | A168 L169 I170 I175 S176 | A168-I172 WeakPolarHBondContact O-CB 3.44Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.42Å; A168-I172 PolarHBondContact O-N 3.44Å; L169-I172 PolarHBondContact O-N 2.85Å; I170-I172 VanDerWaalsContact C-N 3.35Å; I170-I172 PolarHBondContact O-N 2.89Å; I172-I175 PolarHBondContact O-N 2.69Å; I172-S176 WeakPolarHBondContact O-CB 3.41Å; I172-S176 PolarHBondContact O-N 2.95Å |
| 173 | H | 94.4 | Very high | 89.4 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 11% | 0.111 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 179 | -176.5 | -146.5 | 0 | 0 | 0 | 112 | D135 L169 I170 S171 I175 S176 I177 E209 | D135-H173 IonicContact OD1-CE1 3.3Å; D135-H173 PolarHBondContact OD1-CE1 3.48Å; D135-H173 VanDerWaalsContact OD1-CE1 3.3Å; D135-H173 IonicContact OD1-ND1 2.85Å; D135-H173 PolarHBondContact OD1-ND1 2.93Å; D135-H173 IonicContact OD2-CE1 3.8Å; D135-H173 IonicContact OD2-CG 3.61Å; D135-H173 IonicContact OD2-ND1 2.77Å; D135-H173 PolarHBondContact OD2-ND1 3.03Å; L169-H173 PolarHBondContact O-N 2.89Å; I170-H173 PolarHBondContact O-N 3.18Å; S171-H173 PolarHBondContact O-N 3.28Å; H173-I175 PolarHBondContact O-N 3.05Å; H173-S176 WeakPolarHBondContact O-CB 3.24Å; H173-S176 PolarHBondContact O-N 3.01Å; H173-I177 WeakPolarHBondContact NE2-CD1 3.44Å; H173-I177 WeakPolarHBondContact O-CG1 3.39Å; H173-I177 PolarHBondContact O-N 2.93Å; H173-E209 IonicContact CD2-OE1 3.54Å; H173-E209 IonicContact NE2-OE1 3.18Å; H173-E209 PolarHBondContact NE2-OE1 3.09Å |
| 174 | L | 93.9 | Very high | 88.6 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 18% | 0.178 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.9 | -66.1 | -178.8 | 0 | 0 | 0 | 112.6 | C128 A131 F132 I170 S171 I177 T178 | C128-L174 HydrophobicContact CB-CD2 4.06Å; C128-L174 WeakPolarHBondContact O-CD2 3.23Å; A131-L174 HydrophobicContact CB-CD2 3.84Å; F132-L174 HydrophobicContact CB-CD1 4.32Å; F132-L174 HydrophobicContact CB-CD2 4.13Å; F132-L174 HydrophobicContact CD2-CD1 4.45Å; F132-L174 HydrophobicContact CG-CD1 4.29Å; I170-L174 HydrophobicContact CG2-CD1 3.78Å; I170-L174 HydrophobicContact CG2-CG 4.09Å; I170-L174 VanDerWaalsContact O-CG 3.3Å; I170-L174 WeakPolarHBondContact O-CG 3.41Å; I170-L174 PolarHBondContact O-N 3.28Å; S171-L174 PolarHBondContact O-N 3.28Å; L174-I177 PolarHBondContact O-N 3.1Å; L174-T178 WeakPolarHBondContact O-CB 3.46Å; L174-T178 PolarHBondContact O-N 2.99Å; L174-T178 PolarHBondContact O-OG1 2.87Å |
| 175 | I | 93.7 | Very high | 87.7 | Confident | 98 Ų | 98 | 55.5 Ų | 55.5 | 50% | 0.503 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.4 | -45 | 174.2 | -70.4 | 164.2 | 0 | 0 | 0 | 110.1 | S171 I172 H173 I177 T178 L179 | S171-I175 WeakPolarHBondContact O-CB 3.49Å; S171-I175 WeakPolarHBondContact O-CD1 3.45Å; S171-I175 WeakPolarHBondContact O-CG1 3.47Å; S171-I175 PolarHBondContact O-N 3.39Å; I172-I175 PolarHBondContact O-N 2.69Å; H173-I175 PolarHBondContact O-N 3.05Å; I175-I177 VanDerWaalsContact C-N 3.35Å; I175-I177 PolarHBondContact O-N 3.06Å; I175-T178 PolarHBondContact O-N 3.33Å; I175-L179 HydrophobicContact CG2-CD1 3.8Å; I175-L179 HydrophobicContact CG2-CG 4.19Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 VanDerWaalsContact O-CG 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.43Å; I175-L179 PolarHBondContact O-N 3.2Å |
| 176 | S | 91.7 | Very high | 86.8 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.4 | -47.6 | 176.6 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | I172 H173 L179 R180 | I172-S176 WeakPolarHBondContact O-CB 3.41Å; I172-S176 PolarHBondContact O-N 2.95Å; H173-S176 WeakPolarHBondContact O-CB 3.24Å; H173-S176 PolarHBondContact O-N 3.01Å; S176-L179 PolarHBondContact O-N 3.47Å; S176-R180 VanDerWaalsContact O-CG 3.32Å; S176-R180 WeakPolarHBondContact O-CG 3.35Å; S176-R180 PolarHBondContact O-N 3.42Å; S176-R180 PolarHBondContact OG-NH2 3.23Å |
| 177 | I | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 176.5 | -68.3 | 163.2 | 0 | 0 | 0 | 110.7 | A127 A131 H173 L174 I175 L179 R180 L181 Y210 | A127-I177 HydrophobicContact CB-CG2 3.96Å; A131-I177 HydrophobicContact CB-CD1 3.21Å; H173-I177 WeakPolarHBondContact NE2-CD1 3.44Å; H173-I177 WeakPolarHBondContact O-CG1 3.39Å; H173-I177 PolarHBondContact O-N 2.93Å; L174-I177 PolarHBondContact O-N 3.1Å; I175-I177 VanDerWaalsContact C-N 3.35Å; I175-I177 PolarHBondContact O-N 3.06Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.36Å; I177-R180 PolarHBondContact O-N 3.3Å; I177-L181 HydrophobicContact CG2-CD1 3.83Å; I177-L181 WeakPolarHBondContact O-CD1 3.14Å; I177-L181 PolarHBondContact O-N 2.83Å; I177-Y210 HydrophobicContact CD1-CE1 3.9Å |
| 178 | T | 89 | Confident | 84.6 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 179.9 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | F120 V124 C128 L174 I175 L181 G182 | F120-T178 HydrophobicContact CZ-CG2 3.84Å; V124-T178 HydrophobicContact CG2-CG2 3.84Å; C128-T178 PolarHBondContact SG-OG1 3.16Å; L174-T178 WeakPolarHBondContact O-CB 3.46Å; L174-T178 PolarHBondContact O-N 2.99Å; L174-T178 PolarHBondContact O-OG1 2.87Å; I175-T178 PolarHBondContact O-N 3.33Å; T178-L181 PolarHBondContact O-N 3.46Å; T178-G182 PolarHBondContact O-N 3.46Å |
| 179 | L | 88.5 | Confident | 83.2 | Confident | 120 Ų | 120 | 66.9 Ų | 66.9 | 63% | 0.628 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | 178.5 | -71.4 | 174 | 0 | 0 | 0 | 111.9 | I175 S176 I177 L181 G182 A183 | I175-L179 HydrophobicContact CG2-CD1 3.8Å; I175-L179 HydrophobicContact CG2-CG 4.19Å; I175-L179 WeakPolarHBondContact O-CB 3.36Å; I175-L179 VanDerWaalsContact O-CG 3.3Å; I175-L179 WeakPolarHBondContact O-CG 3.43Å; I175-L179 PolarHBondContact O-N 3.2Å; S176-L179 PolarHBondContact O-N 3.47Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.36Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.04Å; L179-G182 PolarHBondContact O-N 2.81Å; L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.5Å |
| 180 | R | 84.9 | Confident | 81.6 | Confident | 76 Ų | 76 | 64 Ų | 64 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 176.7 | -70.8 | 177.2 | -166.6 | 166.7 | 4.4 | 112.4 | S176 I177 F205 E209 | S176-R180 VanDerWaalsContact O-CG 3.32Å; S176-R180 WeakPolarHBondContact O-CG 3.35Å; S176-R180 PolarHBondContact O-N 3.42Å; S176-R180 PolarHBondContact OG-NH2 3.23Å; I177-R180 PolarHBondContact O-N 3.3Å; R180-F205 VanDerWaalsContact NH1-CD1 3.3Å; R180-F205 VanDerWaalsContact NH1-CE1 3.28Å; R180-E209 IonicContact CZ-OE2 3.76Å; R180-E209 IonicContact NH1-OE2 2.72Å; R180-E209 PolarHBondContact NH1-OE2 3.49Å; R180-E209 IonicContact NH2-OE2 3.94Å |
| 181 | L | 81.3 | Confident | 80.2 | Confident | 11 Ų | 11 | 66.7 Ų | 66.7 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.8 | -33.3 | 176.2 | -89.4 | 75.8 | 0 | 0 | 0 | 112.8 | F120 W123 A127 I177 T178 L179 T198 | F120-L181 HydrophobicContact CE2-CB 4.34Å; W123-L181 HydrophobicContact CB-CD2 4Å; A127-L181 HydrophobicContact CB-CD1 4.42Å; A127-L181 HydrophobicContact CB-CD2 3.7Å; I177-L181 HydrophobicContact CG2-CD1 3.83Å; I177-L181 WeakPolarHBondContact O-CD1 3.14Å; I177-L181 PolarHBondContact O-N 2.83Å; T178-L181 PolarHBondContact O-N 3.46Å; L179-L181 VanDerWaalsContact C-N 3.33Å; L179-L181 PolarHBondContact O-N 3.04Å; L181-T198 HydrophobicContact CB-CG2 4.41Å; L181-T198 HydrophobicContact CG-CG2 4.18Å |
| 182 | G | 79.8 | Confident | 79.1 | Confident | 25 Ų | 25 | 64.3 Ų | 64.3 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -88.7 | -13.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | F120 T178 L179 W184 L185 | F120-G182 VanDerWaalsContact CE2-CA 3.42Å; T178-G182 PolarHBondContact O-N 3.46Å; L179-G182 PolarHBondContact O-N 2.81Å; G182-W184 PolarHBondContact O-N 3.3Å; G182-W184 VanDerWaalsContact O-N 3.1Å; G182-L185 PolarHBondContact O-N 2.85Å |
| 183 | A | 76.2 | Confident | 77.9 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 58% | 0.579 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L179 | L179-A183 WeakPolarHBondContact O-CB 3.44Å; L179-A183 PolarHBondContact O-N 3.5Å |
| 184 | W | 69.2 | Low | 76.4 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | 26.1 | -175.6 | -62.6 | 98.2 | 0 | 0 | 0 | 112.9 | G182 Q186 K199 | G182-W184 PolarHBondContact O-N 3.3Å; G182-W184 VanDerWaalsContact O-N 3.1Å; W184-Q186 PolarHBondContact O-N 2.88Å; W184-Q186 VanDerWaalsContact O-N 3.13Å; W184-K199 HydrophobicContact CZ2-CD 4.2Å; W184-K199 VanDerWaalsContact CZ2-CE 3.46Å |
| 185 | L | 69.3 | Low | 74.9 | Confident | 85 Ų | 85 | 62 Ų | 62 | 45% | 0.445 | 34% | 0.341 | S | S | . | . | trans | -60.9 | 118.2 | 179.7 | -165.3 | 67.8 | 0 | 0 | 0 | 110.9 | G116 F120 G182 F189 L197 | G116-L185 WeakPolarHBondContact O-CD1 3.36Å; F120-L185 HydrophobicContact CB-CD1 3.66Å; F120-L185 HydrophobicContact CG-CD1 4.3Å; G182-L185 PolarHBondContact O-N 2.85Å; L185-F189 HydrophobicContact CD1-CE2 4.35Å; L185-L197 HydrophobicContact CD1-CD1 3.84Å | ||
| 186 | Q | 70.2 | Confident | 73.4 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 33% | 0.331 | S | S | * | . | trans | -102.4 | 163 | 169.5 | -63.5 | -177 | -0.5 | 0 | 0 | 109.8 | G116 W184 F189 | G116-Q186 WeakPolarHBondContact CA-O 3.39Å; W184-Q186 PolarHBondContact O-N 2.88Å; W184-Q186 VanDerWaalsContact O-N 3.13Å; Q186-F189 HydrophobicContact CB-CE1 4.16Å; Q186-F189 HydrophobicContact CB-CE2 4.4Å; Q186-F189 HydrophobicContact CB-CZ 3.84Å; Q186-F189 HydrophobicContact CG-CZ 4.47Å; Q186-F189 WeakPolarHBondContact O-CE2 3.16Å | ||
| 187 | D | 68.3 | Low | 71.9 | Confident | 146 Ų | 146 | 58.6 Ų | 58.6 | 78% | 0.781 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -69.1 | -39.4 | -172.7 | -70.5 | -37.1 | 0 | 0 | 0 | 112.7 | G116 | G116-D187 PolarHBondContact N-O 2.98Š|
| 188 | D | 66.9 | Low | 70.9 | Confident | 91 Ų | 91 | 58.9 Ų | 58.9 | 49% | 0.487 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 138.2 | -176.8 | -67.3 | -42.8 | 0 | 0 | 0 | 112.6 | L113 | L113-D188 HydrophobicContact CD2-CB 4.5Å |
| 189 | F | 64 | Low | 70.2 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.4 | 175.7 | -65.3 | -76.6 | 0 | 0 | 0 | 111.4 | A114 C119 L185 Q186 E196 L197 | A114-F189 PolarHBondContact N-O 2.81Å; A114-F189 PolarHBondContact O-N 2.78Å; C119-F189 HydrophobicContact CB-CD2 3.92Å; C119-F189 HydrophobicContact CB-CE2 4.47Å; L185-F189 HydrophobicContact CD1-CE2 4.35Å; Q186-F189 HydrophobicContact CB-CE1 4.16Å; Q186-F189 HydrophobicContact CB-CE2 4.4Å; Q186-F189 HydrophobicContact CB-CZ 3.84Å; Q186-F189 HydrophobicContact CG-CZ 4.47Å; Q186-F189 WeakPolarHBondContact O-CE2 3.16Å; F189-E196 HydrophobicContact CD1-CB 3.73Å; F189-E196 HydrophobicContact CE1-CB 4.09Å; F189-E196 WeakPolarHBondContact CE1-O 3.3Å; F189-L197 HydrophobicContact CE2-CD1 3.95Å; F189-L197 HydrophobicContact CZ-CD1 3.9Å |
| 190 | A | 60.7 | Low | 69.5 | Low | 52 Ų | 52 | 57.6 Ų | 57.6 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -72.8 | -50.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y105 | Y105-A190 VanDerWaalsContact CE2-O 3.24Å; Y105-A190 WeakPolarHBondContact CE2-O 3.48Å; Y105-A190 PolarHBondContact OH-O 2.86Å |
| 191 | L | 63.4 | Low | 69.1 | Low | 60 Ų | 60 | 60.1 Ų | 60.1 | 31% | 0.314 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -110.5 | -5.5 | -175.5 | -73.4 | 153.2 | 0 | 0 | 0 | 113.6 | L26 T193 E196 | L26-L191 HydrophobicContact CD2-CD1 3.6Å; L191-T193 HydrophobicContact CB-CG2 3.7Å; L191-T193 PolarHBondContact O-N 3.02Å; L191-E196 PolarHBondContact N-OE1 2.89Å; L191-E196 PolarHBondContact N-OE2 3.44Å |
| 192 | C | 71.5 | Confident | 68.9 | Low | 8 Ų | 8 | 61.4 Ų | 61.4 | 5% | 0.054 | 33% | 0.331 | C | S | . | . | trans | 43.2 | 52.3 | -172.9 | 177.6 | 0 | 0 | 0 | 0 | 112.1 | A114 C119 K122 W123 E196 | A114-C192 HydrophobicContact CB-CB 3.85Å; C119-C192 WeakPolarHBondContact CA-SG 3.34Å; C119-C192 HydrophobicContact CB-CB 3.86Å; C119-C192 WeakPolarHBondContact CB-SG 3.42Å; C119-C192 WeakPolarHBondContact SG-CA 3.37Å; C119-C192 WeakPolarHBondContact SG-CB 3.41Å; C119-C192 CovalentContact SG-SG 2.04Å; C119-C192 PolarHBondContact SG-SG 3.4Å; K122-C192 PolarHBondContact NZ-O 2.88Å; W123-C192 PolarHBondContact NE1-O 3.21Å; C192-E196 WeakPolarHBondContact CA-OE2 3.36Å; C192-E196 PolarHBondContact N-OE2 2.89Å | ||
| 193 | T | 69.7 | Low | 68.8 | Low | 52 Ų | 52 | 61.3 Ų | 61.3 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | trans | -88.1 | 159.3 | 173.9 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | L191 V195 E196 L197 | L191-T193 HydrophobicContact CB-CG2 3.7Å; L191-T193 PolarHBondContact O-N 3.02Å; T193-V195 PolarHBondContact O-N 3.37Å; T193-E196 PolarHBondContact N-OE2 2.95Å; T193-E196 PolarHBondContact O-N 2.77Å; T193-E196 WeakPolarHBondContact OG1-CG 3.38Å; T193-E196 PolarHBondContact OG1-N 2.9Å; T193-L197 PolarHBondContact O-N 3.44Å | ||
| 194 | V | 63.2 | Low | 69.1 | Low | 17 Ų | 17 | 60.8 Ų | 60.8 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -27.5 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | W123 L197 T198 F203 | W123-V194 HydrophobicContact CD2-CB 3.78Å; W123-V194 HydrophobicContact CD2-CG2 4.01Å; W123-V194 VanDerWaalsContact CE2-N 3.3Å; W123-V194 HydrophobicContact CE3-CB 3.79Å; W123-V194 HydrophobicContact CE3-CG2 3.86Å; W123-V194 HydrophobicContact CH2-CB 3.68Å; W123-V194 HydrophobicContact CH2-CG1 4.14Å; W123-V194 HydrophobicContact CZ2-CB 3.66Å; W123-V194 HydrophobicContact CZ2-CG1 4.4Å; W123-V194 HydrophobicContact CZ3-CB 3.73Å; W123-V194 HydrophobicContact CZ3-CG1 4.36Å; W123-V194 HydrophobicContact CZ3-CG2 4.15Å; V194-L197 PolarHBondContact O-N 3.37Å; V194-T198 PolarHBondContact O-N 3.39Å; V194-T198 PolarHBondContact O-OG1 3.5Å; V194-F203 HydrophobicContact CB-CD2 4.31Å; V194-F203 HydrophobicContact CB-CE2 4.36Å; V194-F203 HydrophobicContact CG1-CD2 3.73Å; V194-F203 HydrophobicContact CG1-CE2 3.61Å; V194-F203 HydrophobicContact CG1-CG 4.29Å; V194-F203 HydrophobicContact CG1-CZ 4.07Å; V194-F203 HydrophobicContact CG2-CD2 3.59Å; V194-F203 HydrophobicContact CG2-CE2 3.95Å |
| 195 | V | 62.4 | Low | 69.8 | Low | 52 Ų | 52 | 60.5 Ų | 60.5 | 32% | 0.315 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -74 | -34.6 | 180 | -175 | 0 | 0 | 0 | 0 | 110.9 | P21 T193 T198 W200 | P21-V195 HydrophobicContact CG-CG1 3.95Å; T193-V195 PolarHBondContact O-N 3.37Å; V195-T198 CarbonylContact C-O 3.58Å; V195-W200 HydrophobicContact CG1-CE3 4.27Å; V195-W200 HydrophobicContact CG2-CE3 3.88Å; V195-W200 HydrophobicContact CG2-CZ3 3.7Å |
| 196 | E | 62.9 | Low | 70.5 | Confident | 62 Ų | 62 | 57 Ų | 57 | 29% | 0.29 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 170.5 | -73.7 | 171.3 | 156.6 | 0 | 0 | 111.6 | F189 L191 C192 T193 | F189-E196 HydrophobicContact CD1-CB 3.73Å; F189-E196 HydrophobicContact CE1-CB 4.09Å; F189-E196 WeakPolarHBondContact CE1-O 3.3Å; L191-E196 PolarHBondContact N-OE1 2.89Å; L191-E196 PolarHBondContact N-OE2 3.44Å; C192-E196 WeakPolarHBondContact CA-OE2 3.36Å; C192-E196 PolarHBondContact N-OE2 2.89Å; T193-E196 PolarHBondContact N-OE2 2.95Å; T193-E196 PolarHBondContact O-N 2.77Å; T193-E196 WeakPolarHBondContact OG1-CG 3.38Å; T193-E196 PolarHBondContact OG1-N 2.9Å |
| 197 | L | 60.3 | Low | 71.2 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.9 | -30.6 | -177.9 | -172.7 | 68.6 | 0 | 0 | 0 | 113 | W123 L185 F189 T193 V194 | W123-L197 HydrophobicContact CB-CD2 3.66Å; W123-L197 HydrophobicContact CG-CD2 3.98Å; L185-L197 HydrophobicContact CD1-CD1 3.84Å; F189-L197 HydrophobicContact CE2-CD1 3.95Å; F189-L197 HydrophobicContact CZ-CD1 3.9Å; T193-L197 PolarHBondContact O-N 3.44Å; V194-L197 PolarHBondContact O-N 3.37Å |
| 198 | T | 67.6 | Low | 72.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 4% | 0.037 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -141.5 | 145.7 | -171.3 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | L181 V194 V195 W200 | L181-T198 HydrophobicContact CB-CG2 4.41Å; L181-T198 HydrophobicContact CG-CG2 4.18Å; V194-T198 PolarHBondContact O-N 3.39Å; V194-T198 PolarHBondContact O-OG1 3.5Å; V195-T198 CarbonylContact C-O 3.58Å; T198-W200 PolarHBondContact O-N 3.28Å |
| 199 | K | 74.5 | Confident | 73.2 | Confident | 85 Ų | 85 | 49.1 Ų | 49.1 | 37% | 0.37 | 26% | 0.255 | S | S | . | . | trans | -54.3 | 138.8 | 170.1 | -67.6 | -170 | 173.1 | -167.9 | 0 | 110.8 | W184 E201 S202 F203 | W184-K199 HydrophobicContact CZ2-CD 4.2Å; W184-K199 VanDerWaalsContact CZ2-CE 3.46Å; K199-E201 PolarHBondContact O-N 3.01Å; K199-E201 VanDerWaalsContact O-N 3.14Å; K199-S202 WeakPolarHBondContact O-CA 3.33Å; K199-S202 WeakPolarHBondContact O-CB 3.46Å; K199-S202 PolarHBondContact O-N 3.49Å; K199-F203 PolarHBondContact O-N 2.91Å; K199-F203 VanDerWaalsContact O-N 3.14Å | ||
| 200 | W | 72.3 | Confident | 74.5 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 19% | 0.193 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -49.3 | -43 | 179 | -173.8 | -115.8 | 0 | 0 | 0 | 112.9 | V195 T198 S202 F203 L204 E279 | V195-W200 HydrophobicContact CG1-CE3 4.27Å; V195-W200 HydrophobicContact CG2-CE3 3.88Å; V195-W200 HydrophobicContact CG2-CZ3 3.7Å; T198-W200 PolarHBondContact O-N 3.28Å; W200-S202 VanDerWaalsContact C-N 3.34Å; W200-S202 PolarHBondContact O-N 3.35Å; W200-F203 HydrophobicContact CE3-CD1 4.22Å; W200-F203 HydrophobicContact CH2-CD1 4.22Å; W200-F203 HydrophobicContact CH2-CE1 4.25Å; W200-F203 AromaticContact CZ3-CD1 3.86Å; W200-F203 HydrophobicContact CZ3-CD1 3.86Å; W200-F203 HydrophobicContact CZ3-CE1 4.14Å; W200-F203 PolarHBondContact O-N 3.46Å; W200-L204 HydrophobicContact CG-CD1 4.5Å; W200-L204 HydrophobicContact CZ2-CD2 4.12Å; W200-L204 HydrophobicContact CZ2-CG 4.39Å; W200-L204 WeakPolarHBondContact O-CG 3.5Å; W200-L204 PolarHBondContact O-N 3.42Å; W200-E279 WeakPolarHBondContact CH2-OE1 3.48Å |
| 201 | E | 78 | Confident | 75.9 | Confident | 130 Ų | 130 | 49.5 Ų | 49.5 | 61% | 0.607 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.4 | -40.8 | 176.8 | -61.2 | -176.4 | 161.8 | 0 | 0 | 113 | K199 L204 F205 | K199-E201 PolarHBondContact O-N 3.01Å; K199-E201 VanDerWaalsContact O-N 3.14Å; E201-L204 PolarHBondContact O-N 2.94Å; E201-F205 WeakPolarHBondContact O-CB 3.33Å; E201-F205 PolarHBondContact O-N 3.47Å |
| 202 | S | 76.6 | Confident | 77.2 | Confident | 38 Ų | 38 | 49.3 Ų | 49.3 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.3 | -39.7 | 179.3 | -65 | 0 | 0 | 0 | 0 | 111.2 | K199 W200 F205 V206 | K199-S202 WeakPolarHBondContact O-CA 3.33Å; K199-S202 WeakPolarHBondContact O-CB 3.46Å; K199-S202 PolarHBondContact O-N 3.49Å; W200-S202 VanDerWaalsContact C-N 3.34Å; W200-S202 PolarHBondContact O-N 3.35Å; S202-F205 PolarHBondContact O-N 3.4Å; S202-V206 WeakPolarHBondContact O-CG2 3.3Å; S202-V206 PolarHBondContact O-N 3.39Å; S202-V206 VanDerWaalsContact O-N 3.13Å |
| 203 | F | 77.6 | Confident | 78.3 | Confident | 22 Ų | 22 | 50.8 Ų | 50.8 | 10% | 0.096 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 174.1 | 174.4 | -106.1 | 0 | 0 | 0 | 111.8 | V194 K199 W200 F205 V206 R207 | V194-F203 HydrophobicContact CB-CD2 4.31Å; V194-F203 HydrophobicContact CB-CE2 4.36Å; V194-F203 HydrophobicContact CG1-CD2 3.73Å; V194-F203 HydrophobicContact CG1-CE2 3.61Å; V194-F203 HydrophobicContact CG1-CG 4.29Å; V194-F203 HydrophobicContact CG1-CZ 4.07Å; V194-F203 HydrophobicContact CG2-CD2 3.59Å; V194-F203 HydrophobicContact CG2-CE2 3.95Å; K199-F203 PolarHBondContact O-N 2.91Å; K199-F203 VanDerWaalsContact O-N 3.14Å; W200-F203 HydrophobicContact CE3-CD1 4.22Å; W200-F203 HydrophobicContact CH2-CD1 4.22Å; W200-F203 HydrophobicContact CH2-CE1 4.25Å; W200-F203 AromaticContact CZ3-CD1 3.86Å; W200-F203 HydrophobicContact CZ3-CD1 3.86Å; W200-F203 HydrophobicContact CZ3-CE1 4.14Å; W200-F203 PolarHBondContact O-N 3.46Å; F203-F205 VanDerWaalsContact C-N 3.32Å; F203-F205 PolarHBondContact O-N 2.71Å; F203-V206 PolarHBondContact O-N 3.29Å; F203-R207 HydrophobicContact CE1-CG 4.11Å; F203-R207 HydrophobicContact CE2-CG 4.18Å; F203-R207 HydrophobicContact CZ-CG 3.95Å; F203-R207 WeakPolarHBondContact O-CG 3.3Å; F203-R207 PolarHBondContact O-N 2.93Å |
| 204 | L | 81.5 | Confident | 79.4 | Confident | 60 Ų | 60 | 48.5 Ų | 48.5 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.8 | -41.9 | 176.3 | -74.8 | -179.2 | 0 | 0 | 0 | 111.9 | W200 E201 V206 R207 V208 | W200-L204 HydrophobicContact CG-CD1 4.5Å; W200-L204 HydrophobicContact CZ2-CD2 4.12Å; W200-L204 HydrophobicContact CZ2-CG 4.39Å; W200-L204 WeakPolarHBondContact O-CG 3.5Å; W200-L204 PolarHBondContact O-N 3.42Å; E201-L204 PolarHBondContact O-N 2.94Å; L204-V206 PolarHBondContact O-N 2.77Å; L204-R207 WeakPolarHBondContact O-CB 3.26Å; L204-R207 PolarHBondContact O-N 3.29Å; L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.21Å |
| 205 | F | 84.1 | Confident | 80.8 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 53% | 0.531 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 178.2 | -170.1 | -88.1 | 0 | 0 | 0 | 112 | R180 E201 S202 F203 R207 V208 E209 | R180-F205 VanDerWaalsContact NH1-CD1 3.3Å; R180-F205 VanDerWaalsContact NH1-CE1 3.28Å; E201-F205 WeakPolarHBondContact O-CB 3.33Å; E201-F205 PolarHBondContact O-N 3.47Å; S202-F205 PolarHBondContact O-N 3.4Å; F203-F205 VanDerWaalsContact C-N 3.32Å; F203-F205 PolarHBondContact O-N 2.71Å; F205-R207 VanDerWaalsContact C-N 3.29Å; F205-R207 PolarHBondContact O-N 3.42Å; F205-V208 PolarHBondContact O-N 3.35Å; F205-E209 WeakPolarHBondContact O-CB 3.17Å; F205-E209 PolarHBondContact O-N 3.02Å |
| 206 | V | 84.5 | Confident | 82.4 | Confident | 12 Ų | 12 | 51 Ų | 51 | 7% | 0.073 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -38.9 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | S202 F203 L204 E209 Y210 | S202-V206 WeakPolarHBondContact O-CG2 3.3Å; S202-V206 PolarHBondContact O-N 3.39Å; S202-V206 VanDerWaalsContact O-N 3.13Å; F203-V206 PolarHBondContact O-N 3.29Å; L204-V206 PolarHBondContact O-N 2.77Å; V206-E209 PolarHBondContact O-N 3.3Å; V206-Y210 HydrophobicContact CG1-CD1 4.23Å; V206-Y210 HydrophobicContact CG1-CE1 3.69Å; V206-Y210 HydrophobicContact CG1-CE2 4.17Å; V206-Y210 VanDerWaalsContact O-CD1 3.28Å; V206-Y210 WeakPolarHBondContact O-CD1 3.4Å; V206-Y210 PolarHBondContact O-N 3.38Å |
| 207 | R | 84.6 | Confident | 83.9 | Confident | 50 Ų | 50 | 48 Ų | 48 | 19% | 0.189 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -43.3 | 176.8 | -72.7 | -69.5 | -175.2 | 175.5 | -1.8 | 112.9 | F203 L204 F205 E209 Y210 N211 S272 | F203-R207 HydrophobicContact CE1-CG 4.11Å; F203-R207 HydrophobicContact CE2-CG 4.18Å; F203-R207 HydrophobicContact CZ-CG 3.95Å; F203-R207 WeakPolarHBondContact O-CG 3.3Å; F203-R207 PolarHBondContact O-N 2.93Å; L204-R207 WeakPolarHBondContact O-CB 3.26Å; L204-R207 PolarHBondContact O-N 3.29Å; F205-R207 VanDerWaalsContact C-N 3.29Å; F205-R207 PolarHBondContact O-N 3.42Å; R207-E209 VanDerWaalsContact C-N 3.33Å; R207-Y210 PolarHBondContact O-N 3.01Å; R207-N211 PolarHBondContact O-N 2.95Å; R207-N211 PolarHBondContact O-ND2 3.31Å; R207-S272 PolarHBondContact NH1-OG 3.31Å; R207-S272 VanDerWaalsContact NH1-OG 3.12Å |
| 208 | V | 88.1 | Confident | 85.4 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 60% | 0.6 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 175.5 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | L204 F205 Y210 N211 A212 | L204-V208 WeakPolarHBondContact O-CG2 3.47Å; L204-V208 PolarHBondContact O-N 3.21Å; F205-V208 PolarHBondContact O-N 3.35Å; V208-Y210 PolarHBondContact O-N 3.39Å; V208-N211 PolarHBondContact O-N 2.86Å; V208-A212 VanDerWaalsContact O-CB 3.32Å; V208-A212 WeakPolarHBondContact O-CB 3.5Å; V208-A212 PolarHBondContact O-N 3.39Å |
| 209 | E | 89.8 | Confident | 86.6 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 175.7 | -177.3 | 166.1 | -163.9 | 0 | 0 | 111.7 | H173 R180 F205 V206 R207 A212 L213 | H173-E209 IonicContact CD2-OE1 3.54Å; H173-E209 IonicContact NE2-OE1 3.18Å; H173-E209 PolarHBondContact NE2-OE1 3.09Å; R180-E209 IonicContact CZ-OE2 3.76Å; R180-E209 IonicContact NH1-OE2 2.72Å; R180-E209 PolarHBondContact NH1-OE2 3.49Å; R180-E209 IonicContact NH2-OE2 3.94Å; F205-E209 WeakPolarHBondContact O-CB 3.17Å; F205-E209 PolarHBondContact O-N 3.02Å; V206-E209 PolarHBondContact O-N 3.3Å; R207-E209 VanDerWaalsContact C-N 3.33Å; E209-A212 PolarHBondContact O-N 3.49Å; E209-L213 HydrophobicContact CG-CD1 4.43Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 3.39Å |
| 210 | Y | 90.3 | Very high | 87.5 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 177.1 | -74.4 | 10.7 | 0 | 0 | 0 | 112.1 | A127 A131 I134 I177 V206 R207 V208 A212 L213 I214 | A127-Y210 PolarHBondContact O-OH 2.96Å; A131-Y210 HydrophobicContact CB-CE1 3.84Å; A131-Y210 WeakPolarHBondContact CB-OH 3.35Å; I134-Y210 HydrophobicContact CD1-CD1 4.27Å; I134-Y210 HydrophobicContact CD1-CD2 4.01Å; I134-Y210 HydrophobicContact CD1-CG 3.79Å; I177-Y210 HydrophobicContact CD1-CE1 3.9Å; V206-Y210 HydrophobicContact CG1-CD1 4.23Å; V206-Y210 HydrophobicContact CG1-CE1 3.69Å; V206-Y210 HydrophobicContact CG1-CE2 4.17Å; V206-Y210 VanDerWaalsContact O-CD1 3.28Å; V206-Y210 WeakPolarHBondContact O-CD1 3.4Å; V206-Y210 PolarHBondContact O-N 3.38Å; R207-Y210 PolarHBondContact O-N 3.01Å; V208-Y210 PolarHBondContact O-N 3.39Å; Y210-A212 VanDerWaalsContact C-N 3.32Å; Y210-A212 PolarHBondContact O-N 3.41Å; Y210-L213 PolarHBondContact O-N 3.36Å; Y210-I214 WeakPolarHBondContact O-CB 3.27Å; Y210-I214 VanDerWaalsContact O-CG1 3.24Å; Y210-I214 WeakPolarHBondContact O-CG1 3.36Å; Y210-I214 PolarHBondContact O-N 3.48Å |
| 211 | N | 90.5 | Very high | 88.4 | Confident | 53 Ų | 53 | 50.1 Ų | 50.1 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 179.4 | -74.8 | -32.9 | 0 | 0 | 0 | 112 | R207 V208 T215 | R207-N211 PolarHBondContact O-N 2.95Å; R207-N211 PolarHBondContact O-ND2 3.31Å; V208-N211 PolarHBondContact O-N 2.86Å; N211-T215 WeakPolarHBondContact O-CB 3.31Å; N211-T215 PolarHBondContact O-N 3.14Å; N211-T215 PolarHBondContact O-OG1 3.07Å |
| 212 | A | 92.1 | Very high | 89.1 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 46% | 0.463 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V208 E209 Y210 T215 A216 | V208-A212 VanDerWaalsContact O-CB 3.32Å; V208-A212 WeakPolarHBondContact O-CB 3.5Å; V208-A212 PolarHBondContact O-N 3.39Å; E209-A212 PolarHBondContact O-N 3.49Å; Y210-A212 VanDerWaalsContact C-N 3.32Å; Y210-A212 PolarHBondContact O-N 3.41Å; A212-T215 PolarHBondContact O-N 2.82Å; A212-A216 WeakPolarHBondContact O-CB 3.38Å; A212-A216 PolarHBondContact O-N 2.95Å |
| 213 | L | 93.4 | Very high | 89.8 | Confident | 40 Ų | 40 | 49.8 Ų | 49.8 | 21% | 0.209 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -39.7 | 177.7 | -73.5 | 173.9 | 0 | 0 | 0 | 112.7 | I134 E209 Y210 A216 T217 | I134-L213 HydrophobicContact CG2-CB 3.48Å; I134-L213 VanDerWaalsContact CG2-CB 3.48Å; I134-L213 HydrophobicContact CG2-CD1 4.14Å; I134-L213 HydrophobicContact CG2-CG 4.45Å; E209-L213 HydrophobicContact CG-CD1 4.43Å; E209-L213 WeakPolarHBondContact O-CG 3.44Å; E209-L213 PolarHBondContact O-N 3.39Å; Y210-L213 PolarHBondContact O-N 3.36Å; L213-A216 PolarHBondContact O-N 3.44Å; L213-T217 WeakPolarHBondContact O-CB 3.38Å; L213-T217 PolarHBondContact O-N 3.44Å; L213-T217 PolarHBondContact O-OG1 3.5Å |
| 214 | I | 93.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.3 | -48.8 | 173.3 | -72.8 | 166.6 | 0 | 0 | 0 | 110.1 | I134 Y210 T217 L218 F261 F268 V269 | I134-I214 HydrophobicContact CD1-CD1 3.94Å; I134-I214 HydrophobicContact CD1-CG1 3.99Å; I134-I214 HydrophobicContact CG1-CD1 4.34Å; I134-I214 HydrophobicContact CG1-CG1 3.99Å; I134-I214 HydrophobicContact CG2-CG1 4.38Å; Y210-I214 WeakPolarHBondContact O-CB 3.27Å; Y210-I214 VanDerWaalsContact O-CG1 3.24Å; Y210-I214 WeakPolarHBondContact O-CG1 3.36Å; Y210-I214 PolarHBondContact O-N 3.48Å; I214-T217 WeakPolarHBondContact O-CB 3.34Å; I214-T217 PolarHBondContact O-N 3.5Å; I214-L218 HydrophobicContact CG2-CD1 4.23Å; I214-L218 WeakPolarHBondContact O-CG 3.21Å; I214-L218 PolarHBondContact O-N 3.43Å; I214-F261 HydrophobicContact CG1-CZ 4.33Å; I214-F261 HydrophobicContact CG2-CE1 4.49Å; I214-F261 HydrophobicContact CG2-CZ 4.42Å; I214-F268 HydrophobicContact CD1-CB 3.91Å; I214-V269 HydrophobicContact CG2-CG2 4.32Å |
| 215 | T | 93.2 | Very high | 90.8 | Very high | 82 Ų | 82 | 47.4 Ų | 47.4 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 179.8 | -57.6 | 0 | 0 | 0 | 0 | 111 | N211 A212 T217 L218 V219 | N211-T215 WeakPolarHBondContact O-CB 3.31Å; N211-T215 PolarHBondContact O-N 3.14Å; N211-T215 PolarHBondContact O-OG1 3.07Å; A212-T215 PolarHBondContact O-N 2.82Å; T215-T217 VanDerWaalsContact C-N 3.3Å; T215-T217 PolarHBondContact O-N 2.74Å; T215-L218 PolarHBondContact O-N 3.1Å; T215-V219 WeakPolarHBondContact O-CG2 3.35Å; T215-V219 PolarHBondContact O-N 3.4Å |
| 216 | A | 94.6 | Very high | 91.1 | Very high | 39 Ų | 39 | 46.9 Ų | 46.9 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F138 A212 L213 V219 M220 | F138-A216 HydrophobicContact CE2-CB 4.2Å; A212-A216 WeakPolarHBondContact O-CB 3.38Å; A212-A216 PolarHBondContact O-N 2.95Å; L213-A216 PolarHBondContact O-N 3.44Å; A216-V219 PolarHBondContact O-N 3.09Å; A216-M220 WeakPolarHBondContact O-CB 3.42Å; A216-M220 VanDerWaalsContact O-CG 3.23Å; A216-M220 WeakPolarHBondContact O-CG 3.45Å; A216-M220 PolarHBondContact O-N 3.48Å |
| 217 | T | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 177 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | F138 A141 L213 I214 T215 M220 Y221 F261 | F138-T217 WeakPolarHBondContact CA-OG1 3.34Å; F138-T217 WeakPolarHBondContact CB-OG1 3.37Å; F138-T217 WeakPolarHBondContact CD2-OG1 3.27Å; A141-T217 HydrophobicContact CB-CG2 4.14Å; L213-T217 WeakPolarHBondContact O-CB 3.38Å; L213-T217 PolarHBondContact O-N 3.44Å; L213-T217 PolarHBondContact O-OG1 3.5Å; I214-T217 WeakPolarHBondContact O-CB 3.34Å; I214-T217 PolarHBondContact O-N 3.5Å; T215-T217 VanDerWaalsContact C-N 3.3Å; T215-T217 PolarHBondContact O-N 2.74Å; T217-M220 PolarHBondContact O-N 3.25Å; T217-Y221 HydrophobicContact CG2-CD2 3.81Å; T217-Y221 HydrophobicContact CG2-CE2 3.51Å; T217-Y221 VanDerWaalsContact O-CD2 3.29Å; T217-Y221 WeakPolarHBondContact O-CD2 3.39Å; T217-Y221 PolarHBondContact O-N 2.94Å; T217-F261 HydrophobicContact CG2-CD1 3.76Å; T217-F261 HydrophobicContact CG2-CE1 3.35Å; T217-F261 HydrophobicContact CG2-CE2 4.22Å; T217-F261 HydrophobicContact CG2-CG 4.33Å; T217-F261 HydrophobicContact CG2-CZ 3.6Å |
| 218 | L | 92.3 | Very high | 91.4 | Very high | 47 Ų | 47 | 48.8 Ų | 48.8 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -45 | 176.8 | -72 | 174 | 0 | 0 | 0 | 111.8 | I214 T215 M220 Y221 V222 F261 F262 | I214-L218 HydrophobicContact CG2-CD1 4.23Å; I214-L218 WeakPolarHBondContact O-CG 3.21Å; I214-L218 PolarHBondContact O-N 3.43Å; T215-L218 PolarHBondContact O-N 3.1Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 3.39Å; L218-Y221 PolarHBondContact O-N 3.44Å; L218-V222 WeakPolarHBondContact O-CG2 3.46Å; L218-V222 PolarHBondContact O-N 2.97Å; L218-F261 HydrophobicContact CD2-CD1 3.88Å; L218-F261 HydrophobicContact CD2-CE1 4.04Å; L218-F261 HydrophobicContact CG-CD1 4.41Å; L218-F261 HydrophobicContact CG-CE1 4.06Å; L218-F262 HydrophobicContact CD2-CD2 4.25Å |
| 219 | V | 93.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 50.8 Ų | 50.8 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59 | -45.5 | 176 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | T215 A216 Y221 V222 F223 | T215-V219 WeakPolarHBondContact O-CG2 3.35Å; T215-V219 PolarHBondContact O-N 3.4Å; A216-V219 PolarHBondContact O-N 3.09Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 3.44Å; V219-V222 PolarHBondContact O-N 3.4Å; V219-F223 WeakPolarHBondContact O-CB 3.34Å; V219-F223 PolarHBondContact O-N 3.23Å |
| 220 | M | 92.3 | Very high | 91.4 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61 | -41.8 | 176.6 | -74.4 | -68 | -74.2 | 0 | 0 | 112.1 | A141 F142 C145 A216 T217 L218 F223 G224 | A141-M220 HydrophobicContact CB-CB 3.95Å; F142-M220 HydrophobicContact CB-CE 4.3Å; F142-M220 HydrophobicContact CD2-CE 3.87Å; C145-M220 HydrophobicContact CB-CE 3.6Å; C145-M220 PolarHBondContact SG-O 3.14Å; A216-M220 WeakPolarHBondContact O-CB 3.42Å; A216-M220 VanDerWaalsContact O-CG 3.23Å; A216-M220 WeakPolarHBondContact O-CG 3.45Å; A216-M220 PolarHBondContact O-N 3.48Å; T217-M220 PolarHBondContact O-N 3.25Å; L218-M220 VanDerWaalsContact C-N 3.32Å; L218-M220 PolarHBondContact O-N 3.39Å; M220-F223 PolarHBondContact O-N 3.21Å; M220-G224 PolarHBondContact O-N 2.95Å |
| 221 | Y | 92 | Very high | 91.2 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 175.4 | -84.1 | -49.5 | 0 | 0 | 0 | 112.9 | S137 A141 T217 L218 V219 F223 G224 I225 L254 L257 T258 F261 | S137-Y221 PolarHBondContact O-OH 2.97Å; A141-Y221 HydrophobicContact CB-CD1 3.97Å; A141-Y221 HydrophobicContact CB-CD2 4.24Å; A141-Y221 HydrophobicContact CB-CE1 3.75Å; A141-Y221 HydrophobicContact CB-CE2 4.05Å; A141-Y221 HydrophobicContact CB-CG 4.19Å; T217-Y221 HydrophobicContact CG2-CD2 3.81Å; T217-Y221 HydrophobicContact CG2-CE2 3.51Å; T217-Y221 VanDerWaalsContact O-CD2 3.29Å; T217-Y221 WeakPolarHBondContact O-CD2 3.39Å; T217-Y221 PolarHBondContact O-N 2.94Å; L218-Y221 PolarHBondContact O-N 3.44Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 3.44Å; Y221-F223 PolarHBondContact O-N 3.36Å; Y221-G224 PolarHBondContact O-N 2.94Å; Y221-I225 VanDerWaalsContact O-CG1 3.31Å; Y221-I225 WeakPolarHBondContact O-CG1 3.29Å; Y221-I225 PolarHBondContact O-N 2.94Å; Y221-L254 HydrophobicContact CD1-CD1 3.85Å; Y221-L254 HydrophobicContact CE1-CD1 4.06Å; Y221-L257 HydrophobicContact CE1-CB 4.2Å; Y221-T258 WeakPolarHBondContact CB-OG1 3.38Å; Y221-T258 WeakPolarHBondContact CD1-OG1 3.27Å; Y221-T258 HydrophobicContact CD2-CG2 4.37Å; Y221-T258 HydrophobicContact CG-CG2 4.03Å; Y221-T258 VanDerWaalsContact CG-OG1 3.23Å; Y221-F261 AromaticContact CD2-CD1 4Å; Y221-F261 HydrophobicContact CD2-CD1 4Å; Y221-F261 HydrophobicContact CE2-CB 3.78Å; Y221-F261 AromaticContact CE2-CD1 3.75Å; Y221-F261 HydrophobicContact CE2-CD1 3.75Å; Y221-F261 AromaticContact CE2-CG 3.85Å; Y221-F261 HydrophobicContact CE2-CG 3.85Å |
| 222 | V | 91.6 | Very high | 91 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | L218 V219 G224 I225 I226 | L218-V222 WeakPolarHBondContact O-CG2 3.46Å; L218-V222 PolarHBondContact O-N 2.97Å; V219-V222 PolarHBondContact O-N 3.4Å; V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 2.94Å; V222-I225 PolarHBondContact O-N 3.28Å; V222-I226 HydrophobicContact CG1-CD1 3.99Å; V222-I226 WeakPolarHBondContact O-CG1 3.34Å; V222-I226 PolarHBondContact O-N 2.92Å |
| 223 | F | 91.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 58.5 Ų | 58.5 | 35% | 0.346 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.5 | -178.5 | -88.2 | 0 | 0 | 0 | 111.4 | M149 V219 M220 Y221 I225 I226 W227 | M149-F223 HydrophobicContact CE-CD1 4.23Å; M149-F223 HydrophobicContact CE-CE1 3.13Å; M149-F223 HydrophobicContact CE-CE2 4.38Å; M149-F223 HydrophobicContact CE-CZ 3.23Å; V219-F223 WeakPolarHBondContact O-CB 3.34Å; V219-F223 PolarHBondContact O-N 3.23Å; M220-F223 PolarHBondContact O-N 3.21Å; Y221-F223 PolarHBondContact O-N 3.36Å; F223-I225 VanDerWaalsContact C-N 3.3Å; F223-I225 PolarHBondContact O-N 3.4Å; F223-I226 PolarHBondContact O-N 3.39Å; F223-W227 HydrophobicContact CE1-CB 4.36Å; F223-W227 HydrophobicContact CZ-CE3 4.16Å; F223-W227 WeakPolarHBondContact O-CB 3.48Å; F223-W227 PolarHBondContact O-N 3.33Å |
| 224 | G | 89.8 | Confident | 90.6 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | M220 Y221 V222 A228 L254 | M220-G224 PolarHBondContact O-N 2.95Å; Y221-G224 PolarHBondContact O-N 2.94Å; V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 2.94Å; G224-A228 WeakPolarHBondContact O-CB 3.2Å; G224-A228 PolarHBondContact O-N 2.81Å; G224-L254 VanDerWaalsContact O-CD2 3.25Å; G224-L254 WeakPolarHBondContact O-CD2 3.22Å |
| 225 | I | 89.5 | Confident | 90.3 | Very high | 29 Ų | 29 | 65.3 Ų | 65.3 | 15% | 0.149 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.9 | -45.5 | 178.5 | -71.6 | 167.8 | 0 | 0 | 0 | 110.7 | Y221 V222 F223 W227 A228 R229 L254 V255 T258 | Y221-I225 VanDerWaalsContact O-CG1 3.31Å; Y221-I225 WeakPolarHBondContact O-CG1 3.29Å; Y221-I225 PolarHBondContact O-N 2.94Å; V222-I225 PolarHBondContact O-N 3.28Å; F223-I225 VanDerWaalsContact C-N 3.3Å; F223-I225 PolarHBondContact O-N 3.4Å; I225-W227 VanDerWaalsContact C-N 3.31Å; I225-W227 PolarHBondContact O-N 3.14Å; I225-A228 PolarHBondContact O-N 2.71Å; I225-R229 WeakPolarHBondContact O-CG 3.35Å; I225-R229 PolarHBondContact O-N 2.71Å; I225-L254 HydrophobicContact CB-CD2 4.46Å; I225-L254 HydrophobicContact CG1-CD2 3.84Å; I225-L254 HydrophobicContact CG1-CG 4.08Å; I225-L254 VanDerWaalsContact N-CD2 3.34Å; I225-V255 HydrophobicContact CD1-CG2 4.41Å; I225-V255 HydrophobicContact CG1-CG2 4.35Å; I225-T258 HydrophobicContact CD1-CG2 3.94Å |
| 226 | I | 91.1 | Very high | 90 | Very high | 110 Ų | 110 | 64.8 Ų | 64.8 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.5 | -47.9 | 177 | -66.6 | 168.3 | 0 | 0 | 0 | 109.4 | V222 F223 R229 H230 | V222-I226 HydrophobicContact CG1-CD1 3.99Å; V222-I226 WeakPolarHBondContact O-CG1 3.34Å; V222-I226 PolarHBondContact O-N 2.92Å; F223-I226 PolarHBondContact O-N 3.39Å; I226-R229 PolarHBondContact O-N 3.45Å; I226-H230 PolarHBondContact O-N 3.29Å |
| 227 | W | 88.1 | Confident | 89.7 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 33% | 0.326 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 179.3 | -167.7 | -100.2 | 0 | 0 | 0 | 112.9 | S148 F223 I225 R229 H230 N231 | S148-W227 VanDerWaalsContact CB-CD1 3.45Å; S148-W227 PolarHBondContact O-NE1 2.87Å; S148-W227 PolarHBondContact OG-NE1 3.46Å; F223-W227 HydrophobicContact CE1-CB 4.36Å; F223-W227 HydrophobicContact CZ-CE3 4.16Å; F223-W227 WeakPolarHBondContact O-CB 3.48Å; F223-W227 PolarHBondContact O-N 3.33Å; I225-W227 VanDerWaalsContact C-N 3.31Å; I225-W227 PolarHBondContact O-N 3.14Å; W227-R229 VanDerWaalsContact C-N 3.31Å; W227-R229 PolarHBondContact O-N 2.89Å; W227-H230 WeakPolarHBondContact O-CB 3.36Å; W227-H230 PolarHBondContact O-N 3.48Å; W227-H230 VanDerWaalsContact O-N 3.16Å; W227-N231 PolarHBondContact NE1-ND2 3.23Å; W227-N231 VanDerWaalsContact NE1-ND2 3.18Å; W227-N231 PolarHBondContact O-N 2.85Å |
| 228 | A | 87.5 | Confident | 89.4 | Confident | 15 Ų | 15 | 74.9 Ų | 74.9 | 12% | 0.124 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G224 I225 N231 V232 Q251 L254 | G224-A228 WeakPolarHBondContact O-CB 3.2Å; G224-A228 PolarHBondContact O-N 2.81Å; I225-A228 PolarHBondContact O-N 2.71Å; A228-N231 PolarHBondContact O-N 2.9Å; A228-V232 WeakPolarHBondContact O-CG2 3.46Å; A228-V232 PolarHBondContact O-N 3.23Å; A228-Q251 HydrophobicContact CB-CB 4.17Å; A228-Q251 HydrophobicContact CB-CG 4.21Å; A228-L254 HydrophobicContact CB-CD2 4.31Å |
| 229 | R | 89.4 | Confident | 88.9 | Confident | 141 Ų | 141 | 81.1 Ų | 81.1 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 173.9 | -77.3 | 179.8 | 175.7 | -177.4 | 0.7 | 112 | I225 I226 W227 N231 V232 R233 | I225-R229 WeakPolarHBondContact O-CG 3.35Å; I225-R229 PolarHBondContact O-N 2.71Å; I226-R229 PolarHBondContact O-N 3.45Å; W227-R229 VanDerWaalsContact C-N 3.31Å; W227-R229 PolarHBondContact O-N 2.89Å; R229-N231 VanDerWaalsContact C-N 3.33Å; R229-N231 PolarHBondContact O-N 3.37Å; R229-V232 PolarHBondContact O-N 2.77Å; R229-R233 WeakPolarHBondContact O-CG 3.21Å; R229-R233 PolarHBondContact O-N 3.45Å; R229-R233 VanDerWaalsContact O-N 3.11Å |
| 230 | H | 89.5 | Confident | 88.4 | Confident | 107 Ų | 107 | 78.3 Ų | 78.3 | 50% | 0.495 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176.5 | 179.9 | -94.2 | 0 | 0 | 0 | 111.5 | I226 W227 V232 R233 K234 | I226-H230 PolarHBondContact O-N 3.29Å; W227-H230 WeakPolarHBondContact O-CB 3.36Å; W227-H230 PolarHBondContact O-N 3.48Å; W227-H230 VanDerWaalsContact O-N 3.16Å; H230-V232 PolarHBondContact O-N 2.98Å; H230-R233 PolarHBondContact O-N 2.95Å; H230-K234 PolarHBondContact O-N 3.18Å |
| 231 | N | 85.2 | Confident | 88 | Confident | 32 Ų | 32 | 83 Ų | 83 | 17% | 0.171 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.8 | -73 | -23.8 | 0 | 0 | 0 | 112.9 | W227 A228 R229 R233 K234 Y235 | W227-N231 PolarHBondContact NE1-ND2 3.23Å; W227-N231 VanDerWaalsContact NE1-ND2 3.18Å; W227-N231 PolarHBondContact O-N 2.85Å; A228-N231 PolarHBondContact O-N 2.9Å; R229-N231 VanDerWaalsContact C-N 3.33Å; R229-N231 PolarHBondContact O-N 3.37Å; N231-R233 VanDerWaalsContact C-N 3.33Å; N231-R233 PolarHBondContact O-N 3.2Å; N231-K234 PolarHBondContact O-N 2.92Å; N231-Y235 HydrophobicContact CB-CD2 4.49Å; N231-Y235 HydrophobicContact CB-CE2 4.2Å; N231-Y235 WeakPolarHBondContact O-CD2 3.07Å; N231-Y235 PolarHBondContact O-N 2.9Å |
| 232 | V | 86.5 | Confident | 87.6 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 10% | 0.097 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.8 | -47.7 | 174.4 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A228 R229 H230 K234 Y235 T236 A247 Q248 | A228-V232 WeakPolarHBondContact O-CG2 3.46Å; A228-V232 PolarHBondContact O-N 3.23Å; R229-V232 PolarHBondContact O-N 2.77Å; H230-V232 PolarHBondContact O-N 2.98Å; V232-K234 PolarHBondContact O-N 3.19Å; V232-Y235 PolarHBondContact O-N 3.37Å; V232-T236 WeakPolarHBondContact O-CB 3.49Å; V232-T236 PolarHBondContact O-N 3.34Å; V232-T236 PolarHBondContact O-OG1 2.87Å; V232-A247 HydrophobicContact CG2-CB 3.62Å; V232-Q248 HydrophobicContact CG1-CG 3.83Å; V232-Q248 HydrophobicContact CG2-CG 4.15Å |
| 233 | R | 90 | Very high | 87.1 | Confident | 177 Ų | 177 | 84.2 Ų | 84.2 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -59.9 | -45.6 | 177.3 | -70 | 176.9 | 179.3 | -178.6 | -1.6 | 112.1 | R229 H230 N231 Y235 T236 N237 | R229-R233 WeakPolarHBondContact O-CG 3.21Å; R229-R233 PolarHBondContact O-N 3.45Å; R229-R233 VanDerWaalsContact O-N 3.11Å; H230-R233 PolarHBondContact O-N 2.95Å; N231-R233 VanDerWaalsContact C-N 3.33Å; N231-R233 PolarHBondContact O-N 3.2Å; R233-Y235 PolarHBondContact O-N 3.45Å; R233-T236 PolarHBondContact O-N 3.44Å; R233-N237 PolarHBondContact O-N 3.04Å; R233-N237 PolarHBondContact O-OD1 3.36Å |
| 234 | K | 87.1 | Confident | 86.8 | Confident | 105 Ų | 105 | 81.4 Ų | 81.4 | 46% | 0.457 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 178.1 | -176.4 | 179.8 | 176.4 | -179.8 | 0 | 111.8 | H230 N231 V232 N237 Q238 | H230-K234 PolarHBondContact O-N 3.18Å; N231-K234 PolarHBondContact O-N 2.92Å; V232-K234 PolarHBondContact O-N 3.19Å; K234-N237 PolarHBondContact O-N 3.43Å; K234-Q238 WeakPolarHBondContact O-CG 3.49Å; K234-Q238 PolarHBondContact O-N 3Å |
| 235 | Y | 86.1 | Confident | 86.4 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.1 | -32.1 | 179.9 | -67.6 | -57 | 0 | 0 | 0 | 113.1 | N231 V232 R233 N237 Q238 E239 S240 A243 T244 A247 | N231-Y235 HydrophobicContact CB-CD2 4.49Å; N231-Y235 HydrophobicContact CB-CE2 4.2Å; N231-Y235 WeakPolarHBondContact O-CD2 3.07Å; N231-Y235 PolarHBondContact O-N 2.9Å; V232-Y235 PolarHBondContact O-N 3.37Å; R233-Y235 PolarHBondContact O-N 3.45Å; Y235-N237 VanDerWaalsContact C-N 3.34Å; Y235-Q238 PolarHBondContact O-N 3.43Å; Y235-E239 PolarHBondContact O-N 3.35Å; Y235-S240 PolarHBondContact O-N 2.89Å; Y235-S240 PolarHBondContact O-OG 2.95Å; Y235-S240 VanDerWaalsContact O-OG 3.05Å; Y235-A243 HydrophobicContact CD1-CB 3.77Å; Y235-A243 HydrophobicContact CE1-CB 4.22Å; Y235-A243 HydrophobicContact CG-CB 3.96Å; Y235-T244 WeakPolarHBondContact O-CG2 3.5Å; Y235-A247 HydrophobicContact CD2-CB 3.82Å; Y235-A247 HydrophobicContact CE2-CB 4.3Å |
| 236 | T | 87.8 | Confident | 86 | Confident | 72 Ų | 72 | 84.6 Ų | 84.6 | 44% | 0.442 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 175.5 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | V232 R233 Q238 E239 T244 | V232-T236 WeakPolarHBondContact O-CB 3.49Å; V232-T236 PolarHBondContact O-N 3.34Å; V232-T236 PolarHBondContact O-OG1 2.87Å; R233-T236 PolarHBondContact O-N 3.44Å; T236-Q238 PolarHBondContact O-N 3.49Å; T236-E239 PolarHBondContact O-N 3.48Å; T236-T244 VanDerWaalsContact CA-CG2 3.4Å; T236-T244 WeakPolarHBondContact OG1-CG2 3.41Å |
| 237 | N | 88 | Confident | 85.5 | Confident | 135 Ų | 135 | 79.8 Ų | 79.8 | 72% | 0.722 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.8 | -20 | 176.1 | -65.1 | -3.5 | 0 | 0 | 0 | 113 | R233 K234 Y235 | R233-N237 PolarHBondContact O-N 3.04Å; R233-N237 PolarHBondContact O-OD1 3.36Å; K234-N237 PolarHBondContact O-N 3.43Å; Y235-N237 VanDerWaalsContact C-N 3.34Å |
| 238 | Q | 87.7 | Confident | 85.4 | Confident | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 11 | 175.8 | -70.1 | -179.7 | -20.5 | 0 | 0 | 113.1 | K234 Y235 T236 S240 | K234-Q238 WeakPolarHBondContact O-CG 3.49Å; K234-Q238 PolarHBondContact O-N 3Å; Y235-Q238 PolarHBondContact O-N 3.43Å; T236-Q238 PolarHBondContact O-N 3.49Å; Q238-S240 PolarHBondContact O-N 3.33Å |
| 239 | E | 82.8 | Confident | 85.1 | Confident | 178 Ų | 178 | 80 Ų | 80 | 83% | 0.832 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 22.4 | 177.9 | -60.5 | -174.4 | 166 | 0 | 0 | 115.1 | Y235 T236 I241 | Y235-E239 PolarHBondContact O-N 3.35Å; T236-E239 PolarHBondContact O-N 3.48Å; E239-I241 PolarHBondContact O-N 2.74Å |
| 240 | S | 83.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 24% | 0.238 | 39% | 0.393 | C | S | . | . | trans | -90.9 | 85.9 | -176.4 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | Y235 Q238 A242 A243 T244 | Y235-S240 PolarHBondContact O-N 2.89Å; Y235-S240 PolarHBondContact O-OG 2.95Å; Y235-S240 VanDerWaalsContact O-OG 3.05Å; Q238-S240 PolarHBondContact O-N 3.33Å; S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 PolarHBondContact O-N 3.28Å; S240-A243 PolarHBondContact O-N 3.33Å; S240-A243 VanDerWaalsContact O-N 3.11Å; S240-A243 WeakPolarHBondContact OG-CB 3.37Å; S240-T244 WeakPolarHBondContact O-CB 3.23Å; S240-T244 VanDerWaalsContact O-CG2 3.28Å; S240-T244 WeakPolarHBondContact O-CG2 3.37Å; S240-T244 PolarHBondContact O-N 3.36Å; S240-T244 PolarHBondContact O-OG1 3.34Å | ||
| 241 | I | 84.7 | Confident | 84.3 | Confident | 144 Ų | 144 | 75.5 Ų | 75.5 | 74% | 0.738 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -54.1 | -41.3 | -177.1 | -58.5 | 175.1 | 0 | 0 | 0 | 112.4 | E239 T244 S245 | E239-I241 PolarHBondContact O-N 2.74Å; I241-T244 VanDerWaalsContact C-OG1 3.31Å; I241-T244 WeakPolarHBondContact CA-OG1 3.37Å; I241-T244 PolarHBondContact O-OG1 3.16Å; I241-S245 PolarHBondContact O-N 3.5Å; I241-S245 VanDerWaalsContact O-N 3.17Å; I241-S245 PolarHBondContact O-OG 3.21Å |
| 242 | A | 82.6 | Confident | 84.5 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 65% | 0.653 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.9 | -40.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S240 S245 K246 | S240-A242 VanDerWaalsContact C-N 3.27Å; S240-A242 PolarHBondContact O-N 3.28Å; A242-S245 PolarHBondContact O-OG 3.39Å; A242-K246 WeakPolarHBondContact O-CB 3.47Å; A242-K246 PolarHBondContact O-N 3.44Å |
| 243 | A | 82 | Confident | 84.4 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -75.7 | -37.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y235 S240 K246 A247 | Y235-A243 HydrophobicContact CD1-CB 3.77Å; Y235-A243 HydrophobicContact CE1-CB 4.22Å; Y235-A243 HydrophobicContact CG-CB 3.96Å; S240-A243 PolarHBondContact O-N 3.33Å; S240-A243 VanDerWaalsContact O-N 3.11Å; S240-A243 WeakPolarHBondContact OG-CB 3.37Å; A243-K246 PolarHBondContact O-N 2.95Å; A243-A247 WeakPolarHBondContact O-CB 3.22Å; A243-A247 PolarHBondContact O-N 2.93Å |
| 244 | T | 83.4 | Confident | 84.2 | Confident | 20 Ų | 20 | 71.1 Ų | 71.1 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 174.4 | 51.1 | 0 | 0 | 0 | 0 | 111.8 | Y235 T236 S240 I241 K246 A247 Q248 | Y235-T244 WeakPolarHBondContact O-CG2 3.5Å; T236-T244 VanDerWaalsContact CA-CG2 3.4Å; T236-T244 WeakPolarHBondContact OG1-CG2 3.41Å; S240-T244 WeakPolarHBondContact O-CB 3.23Å; S240-T244 VanDerWaalsContact O-CG2 3.28Å; S240-T244 WeakPolarHBondContact O-CG2 3.37Å; S240-T244 PolarHBondContact O-N 3.36Å; S240-T244 PolarHBondContact O-OG1 3.34Å; I241-T244 VanDerWaalsContact C-OG1 3.31Å; I241-T244 WeakPolarHBondContact CA-OG1 3.37Å; I241-T244 PolarHBondContact O-OG1 3.16Å; T244-K246 VanDerWaalsContact C-N 3.35Å; T244-K246 PolarHBondContact O-N 3Å; T244-A247 PolarHBondContact O-N 3.3Å; T244-Q248 WeakPolarHBondContact O-CG 3.32Å; T244-Q248 PolarHBondContact O-N 2.89Å |
| 245 | S | 82.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 68.5 Ų | 68.5 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.1 | 63.4 | 0 | 0 | 0 | 0 | 111 | I241 A242 A247 Q248 L249 Q350 | I241-S245 PolarHBondContact O-N 3.5Å; I241-S245 VanDerWaalsContact O-N 3.17Å; I241-S245 PolarHBondContact O-OG 3.21Å; A242-S245 PolarHBondContact O-OG 3.39Å; S245-A247 VanDerWaalsContact C-N 3.32Å; S245-A247 PolarHBondContact O-N 3.37Å; S245-Q248 PolarHBondContact O-N 3.4Å; S245-L249 WeakPolarHBondContact O-CD1 3.27Å; S245-L249 WeakPolarHBondContact O-CG 3.4Å; S245-L249 PolarHBondContact O-N 3.4Å; S245-Q350 PolarHBondContact OG-NE2 3.32Å |
| 246 | K | 80.1 | Confident | 84.5 | Confident | 74 Ų | 74 | 65.2 Ų | 65.2 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 175.7 | -180 | 165.3 | -174.8 | 178.6 | 0 | 112.8 | A242 A243 T244 R250 S349 | A242-K246 WeakPolarHBondContact O-CB 3.47Å; A242-K246 PolarHBondContact O-N 3.44Å; A243-K246 PolarHBondContact O-N 2.95Å; T244-K246 VanDerWaalsContact C-N 3.35Å; T244-K246 PolarHBondContact O-N 3Å; K246-R250 WeakPolarHBondContact O-CG 3.3Å; K246-R250 PolarHBondContact O-N 3Å; K246-R250 VanDerWaalsContact O-N 3.14Å; K246-S349 WeakPolarHBondContact CG-OG 3.21Å |
| 247 | A | 81.3 | Confident | 84.5 | Confident | 9 Ų | 9 | 62 Ų | 62 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V232 Y235 A243 T244 S245 L249 R250 Q251 | V232-A247 HydrophobicContact CG2-CB 3.62Å; Y235-A247 HydrophobicContact CD2-CB 3.82Å; Y235-A247 HydrophobicContact CE2-CB 4.3Å; A243-A247 WeakPolarHBondContact O-CB 3.22Å; A243-A247 PolarHBondContact O-N 2.93Å; T244-A247 PolarHBondContact O-N 3.3Å; S245-A247 VanDerWaalsContact C-N 3.32Å; S245-A247 PolarHBondContact O-N 3.37Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.38Å; A247-R250 WeakPolarHBondContact O-CB 3.45Å; A247-R250 PolarHBondContact O-N 3.49Å; A247-Q251 PolarHBondContact O-N 2.68Å |
| 248 | Q | 85.7 | Confident | 84.6 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 176.5 | -74.1 | 178.4 | -10.5 | 0 | 0 | 112.1 | V232 T244 S245 Q251 K252 | V232-Q248 HydrophobicContact CG1-CG 3.83Å; V232-Q248 HydrophobicContact CG2-CG 4.15Å; T244-Q248 WeakPolarHBondContact O-CG 3.32Å; T244-Q248 PolarHBondContact O-N 2.89Å; S245-Q248 PolarHBondContact O-N 3.4Å; Q248-Q251 WeakPolarHBondContact O-CB 3.48Å; Q248-Q251 PolarHBondContact O-N 3.26Å; Q248-K252 WeakPolarHBondContact O-CG 3.17Å; Q248-K252 PolarHBondContact O-N 3.17Å |
| 249 | L | 80.5 | Confident | 84.8 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 9% | 0.089 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 178.2 | -63.8 | 155.4 | 0 | 0 | 0 | 111.5 | S245 A247 Q251 K252 M253 Q350 F353 | S245-L249 WeakPolarHBondContact O-CD1 3.27Å; S245-L249 WeakPolarHBondContact O-CG 3.4Å; S245-L249 PolarHBondContact O-N 3.4Å; A247-L249 VanDerWaalsContact C-N 3.31Å; A247-L249 PolarHBondContact O-N 3.38Å; L249-Q251 VanDerWaalsContact C-N 3.28Å; L249-Q251 PolarHBondContact O-N 2.94Å; L249-K252 PolarHBondContact O-N 3.47Å; L249-M253 PolarHBondContact O-N 2.91Å; L249-Q350 HydrophobicContact CD1-CB 3.96Å; L249-Q350 HydrophobicContact CD1-CG 3.55Å; L249-F353 HydrophobicContact CB-CD2 4.46Å; L249-F353 HydrophobicContact CD2-CB 3.55Å; L249-F353 WeakPolarHBondContact O-CD2 3.28Å |
| 250 | R | 79.8 | Confident | 85.2 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 172 | -73.8 | 175.1 | 174.6 | -173.6 | -3.8 | 111.4 | K246 A247 M253 L254 | K246-R250 WeakPolarHBondContact O-CG 3.3Å; K246-R250 PolarHBondContact O-N 3Å; K246-R250 VanDerWaalsContact O-N 3.14Å; A247-R250 WeakPolarHBondContact O-CB 3.45Å; A247-R250 PolarHBondContact O-N 3.49Å; R250-M253 WeakPolarHBondContact O-CB 3.37Å; R250-M253 PolarHBondContact O-N 3.4Å; R250-L254 PolarHBondContact O-N 2.91Å |
| 251 | Q | 84 | Confident | 85.6 | Confident | 41 Ų | 41 | 45 Ų | 45 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | 175.7 | -174.6 | -169.6 | -19.1 | 0 | 0 | 111.8 | A228 A247 Q248 L249 M253 L254 V255 | A228-Q251 HydrophobicContact CB-CB 4.17Å; A228-Q251 HydrophobicContact CB-CG 4.21Å; A247-Q251 PolarHBondContact O-N 2.68Å; Q248-Q251 WeakPolarHBondContact O-CB 3.48Å; Q248-Q251 PolarHBondContact O-N 3.26Å; L249-Q251 VanDerWaalsContact C-N 3.28Å; L249-Q251 PolarHBondContact O-N 2.94Å; Q251-M253 VanDerWaalsContact C-N 3.26Å; Q251-M253 PolarHBondContact O-N 3.38Å; Q251-L254 PolarHBondContact O-N 3.23Å; Q251-L254 VanDerWaalsContact O-N 3.14Å; Q251-V255 WeakPolarHBondContact O-CG2 3.08Å; Q251-V255 PolarHBondContact O-N 3.29Å |
| 252 | K | 87.5 | Confident | 86 | Confident | 114 Ų | 114 | 43.2 Ų | 43.2 | 50% | 0.496 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.6 | -41.1 | 176.8 | -74.8 | 179.1 | -178.3 | 179.2 | 0 | 111.8 | Q248 L249 T256 F353 | Q248-K252 WeakPolarHBondContact O-CG 3.17Å; Q248-K252 PolarHBondContact O-N 3.17Å; L249-K252 PolarHBondContact O-N 3.47Å; K252-T256 WeakPolarHBondContact O-CB 3.12Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 2.98Å; K252-F353 HydrophobicContact CB-CD1 4.2Å; K252-F353 HydrophobicContact CB-CG 4.18Å; K252-F353 HydrophobicContact CD-CB 4.32Å |
| 253 | M | 84.4 | Confident | 86.4 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.059 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 174.8 | -165.5 | 158.9 | -168.8 | 0 | 0 | 112.7 | I77 R144 L249 R250 Q251 T256 L257 W352 F353 | I77-M253 HydrophobicContact CG2-CE 3.4Å; I77-M253 HydrophobicContact CG2-SD 4.26Å; R144-M253 VanDerWaalsContact CZ-SD 3.56Å; R144-M253 VanDerWaalsContact NH1-CG 3.33Å; R144-M253 PolarHBondContact NH1-SD 3.4Å; R144-M253 PolarHBondContact NH2-SD 3.01Å; L249-M253 PolarHBondContact O-N 2.91Å; R250-M253 WeakPolarHBondContact O-CB 3.37Å; R250-M253 PolarHBondContact O-N 3.4Å; Q251-M253 VanDerWaalsContact C-N 3.26Å; Q251-M253 PolarHBondContact O-N 3.38Å; M253-T256 PolarHBondContact O-N 2.85Å; M253-L257 HydrophobicContact CE-CD1 4.41Å; M253-L257 HydrophobicContact CG-CD1 3.98Å; M253-L257 WeakPolarHBondContact O-CG 3.12Å; M253-L257 PolarHBondContact O-N 2.87Å; M253-W352 HydrophobicContact CE-CD2 3.85Å; M253-W352 HydrophobicContact CE-CE3 3.43Å; M253-W352 VanDerWaalsContact CE-CE3 3.43Å; M253-W352 HydrophobicContact CE-CH2 3.93Å; M253-W352 HydrophobicContact CE-CZ2 4.25Å; M253-W352 HydrophobicContact CE-CZ3 3.48Å; M253-W352 VanDerWaalsContact CE-CZ3 3.48Å; M253-W352 HydrophobicContact SD-CD2 4.22Å; M253-W352 HydrophobicContact SD-CE3 4.21Å; M253-W352 HydrophobicContact SD-CG 4.48Å; M253-F353 HydrophobicContact CB-CD2 4.25Å; M253-F353 HydrophobicContact CB-CE1 4.49Å; M253-F353 HydrophobicContact CB-CE2 3.23Å; M253-F353 HydrophobicContact CB-CZ 3.4Å; M253-F353 HydrophobicContact CG-CE2 3.58Å; M253-F353 HydrophobicContact CG-CZ 3.51Å; M253-F353 HydrophobicContact SD-CE2 3.83Å; M253-F353 HydrophobicContact SD-CZ 4.19Å |
| 254 | L | 86.7 | Confident | 86.7 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | -176.9 | -170.2 | 69.2 | 0 | 0 | 0 | 110.3 | R144 Y221 G224 I225 A228 R250 Q251 T256 L257 T258 | R144-L254 HydrophobicContact CB-CD1 3.72Å; R144-L254 HydrophobicContact CG-CD1 3.78Å; Y221-L254 HydrophobicContact CD1-CD1 3.85Å; Y221-L254 HydrophobicContact CE1-CD1 4.06Å; G224-L254 VanDerWaalsContact O-CD2 3.25Å; G224-L254 WeakPolarHBondContact O-CD2 3.22Å; I225-L254 HydrophobicContact CB-CD2 4.46Å; I225-L254 HydrophobicContact CG1-CD2 3.84Å; I225-L254 HydrophobicContact CG1-CG 4.08Å; I225-L254 VanDerWaalsContact N-CD2 3.34Å; A228-L254 HydrophobicContact CB-CD2 4.31Å; R250-L254 PolarHBondContact O-N 2.91Å; Q251-L254 PolarHBondContact O-N 3.23Å; Q251-L254 VanDerWaalsContact O-N 3.14Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.11Å; L254-L257 PolarHBondContact O-N 3.35Å; L254-T258 WeakPolarHBondContact O-CB 3.28Å; L254-T258 PolarHBondContact O-N 3.26Å; L254-T258 PolarHBondContact O-OG1 3.11Å |
| 255 | V | 89.1 | Confident | 87 | Confident | 49 Ų | 49 | 39.9 Ų | 39.9 | 30% | 0.297 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -57 | -42.8 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.3 | I225 Q251 T258 L259 | I225-V255 HydrophobicContact CD1-CG2 4.41Å; I225-V255 HydrophobicContact CG1-CG2 4.35Å; Q251-V255 WeakPolarHBondContact O-CG2 3.08Å; Q251-V255 PolarHBondContact O-N 3.29Å; V255-T258 PolarHBondContact O-N 3.39Å; V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.44Å; V255-L259 WeakPolarHBondContact O-CB 3.22Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.38Å; V255-L259 PolarHBondContact O-N 2.96Å |
| 256 | T | 90 | Very high | 87.3 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.3 | -47.8 | 178.6 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | K252 M253 L254 L259 S260 L308 R311 | K252-T256 WeakPolarHBondContact O-CB 3.12Å; K252-T256 PolarHBondContact O-N 3.39Å; K252-T256 PolarHBondContact O-OG1 2.98Å; M253-T256 PolarHBondContact O-N 2.85Å; L254-T256 VanDerWaalsContact C-N 3.27Å; L254-T256 PolarHBondContact O-N 3.11Å; T256-L259 PolarHBondContact O-N 3.25Å; T256-S260 WeakPolarHBondContact O-CB 3.29Å; T256-S260 PolarHBondContact O-N 3.34Å; T256-L308 HydrophobicContact CG2-CD2 4.14Å; T256-R311 HydrophobicContact CG2-CB 3.38Å; T256-R311 HydrophobicContact CG2-CG 3.91Å |
| 257 | L | 88.7 | Confident | 87.6 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -42.1 | 177 | -74.1 | 166.2 | 0 | 0 | 0 | 111.8 | V81 I140 Y221 M253 L254 S260 F261 L308 | V81-L257 HydrophobicContact CG2-CD2 4.37Å; I140-L257 HydrophobicContact CG2-CD1 3.72Å; I140-L257 HydrophobicContact CG2-CD2 4.36Å; Y221-L257 HydrophobicContact CE1-CB 4.2Å; M253-L257 HydrophobicContact CE-CD1 4.41Å; M253-L257 HydrophobicContact CG-CD1 3.98Å; M253-L257 WeakPolarHBondContact O-CG 3.12Å; M253-L257 PolarHBondContact O-N 2.87Å; L254-L257 PolarHBondContact O-N 3.35Å; L257-S260 PolarHBondContact O-N 2.85Å; L257-F261 WeakPolarHBondContact O-CB 3.42Å; L257-F261 PolarHBondContact O-N 3.11Å; L257-L308 HydrophobicContact CD2-CD2 4.02Å |
| 258 | T | 90.1 | Very high | 87.9 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.4 | -57 | 0 | 0 | 0 | 0 | 111.5 | Y221 I225 L254 V255 F261 F262 | Y221-T258 WeakPolarHBondContact CB-OG1 3.38Å; Y221-T258 WeakPolarHBondContact CD1-OG1 3.27Å; Y221-T258 HydrophobicContact CD2-CG2 4.37Å; Y221-T258 HydrophobicContact CG-CG2 4.03Å; Y221-T258 VanDerWaalsContact CG-OG1 3.23Å; I225-T258 HydrophobicContact CD1-CG2 3.94Å; L254-T258 WeakPolarHBondContact O-CB 3.28Å; L254-T258 PolarHBondContact O-N 3.26Å; L254-T258 PolarHBondContact O-OG1 3.11Å; V255-T258 PolarHBondContact O-N 3.39Å; T258-F261 PolarHBondContact O-N 2.89Å; T258-F262 WeakPolarHBondContact O-CB 3.27Å; T258-F262 PolarHBondContact O-N 3.38Å |
| 259 | L | 92.3 | Very high | 87.9 | Confident | 79 Ų | 79 | 41.3 Ų | 41.3 | 41% | 0.414 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.9 | -72.6 | 171.3 | 0 | 0 | 0 | 111.9 | V255 T256 F262 L263 L307 | V255-L259 HydrophobicContact CG1-CD1 3.94Å; V255-L259 HydrophobicContact CG1-CG 4.44Å; V255-L259 WeakPolarHBondContact O-CB 3.22Å; V255-L259 VanDerWaalsContact O-CG 3.3Å; V255-L259 WeakPolarHBondContact O-CG 3.38Å; V255-L259 PolarHBondContact O-N 2.96Å; T256-L259 PolarHBondContact O-N 3.25Å; L259-F262 PolarHBondContact O-N 2.79Å; L259-L263 VanDerWaalsContact O-CG 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.24Å; L259-L263 PolarHBondContact O-N 3.47Å; L259-L307 HydrophobicContact CB-CD2 3.55Å |
| 260 | S | 91.1 | Very high | 88.2 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 177 | 147.1 | 0 | 0 | 0 | 0 | 111.1 | T256 L257 F262 L263 S264 S304 L308 | T256-S260 WeakPolarHBondContact O-CB 3.29Å; T256-S260 PolarHBondContact O-N 3.34Å; L257-S260 PolarHBondContact O-N 2.85Å; S260-F262 PolarHBondContact O-N 3.25Å; S260-L263 PolarHBondContact O-N 3.02Å; S260-S264 PolarHBondContact O-N 3.34Å; S260-S264 VanDerWaalsContact O-N 3.09Å; S260-S304 WeakPolarHBondContact O-CB 3.42Å; S260-S304 PolarHBondContact O-OG 3.2Å; S260-S304 PolarHBondContact OG-OG 2.74Å; S260-L308 WeakPolarHBondContact OG-CD1 3.19Å; S260-L308 WeakPolarHBondContact OG-CG 3.4Å |
| 261 | F | 91.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.022 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -43 | 174.6 | -178.6 | -109.3 | 0 | 0 | 0 | 111.7 | S137 I214 T217 L218 Y221 L257 T258 L263 S264 S265 | S137-F261 VanDerWaalsContact OG-CD2 3.24Å; S137-F261 WeakPolarHBondContact OG-CD2 3.16Å; I214-F261 HydrophobicContact CG1-CZ 4.33Å; I214-F261 HydrophobicContact CG2-CE1 4.49Å; I214-F261 HydrophobicContact CG2-CZ 4.42Å; T217-F261 HydrophobicContact CG2-CD1 3.76Å; T217-F261 HydrophobicContact CG2-CE1 3.35Å; T217-F261 HydrophobicContact CG2-CE2 4.22Å; T217-F261 HydrophobicContact CG2-CG 4.33Å; T217-F261 HydrophobicContact CG2-CZ 3.6Å; L218-F261 HydrophobicContact CD2-CD1 3.88Å; L218-F261 HydrophobicContact CD2-CE1 4.04Å; L218-F261 HydrophobicContact CG-CD1 4.41Å; L218-F261 HydrophobicContact CG-CE1 4.06Å; Y221-F261 AromaticContact CD2-CD1 4Å; Y221-F261 HydrophobicContact CD2-CD1 4Å; Y221-F261 HydrophobicContact CE2-CB 3.78Å; Y221-F261 AromaticContact CE2-CD1 3.75Å; Y221-F261 HydrophobicContact CE2-CD1 3.75Å; Y221-F261 AromaticContact CE2-CG 3.85Å; Y221-F261 HydrophobicContact CE2-CG 3.85Å; L257-F261 WeakPolarHBondContact O-CB 3.42Å; L257-F261 PolarHBondContact O-N 3.11Å; T258-F261 PolarHBondContact O-N 2.89Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 2.97Å; F261-S264 CarbonylContact O-C 3.59Å; F261-S264 PolarHBondContact O-N 2.75Å; F261-S264 VanDerWaalsContact O-N 3.14Å; F261-S265 WeakPolarHBondContact O-CB 3.4Å; F261-S265 PolarHBondContact O-N 3.33Å; F261-S265 PolarHBondContact O-OG 3.44Å; F261-S265 VanDerWaalsContact O-OG 3.07Å |
| 262 | F | 92.1 | Very high | 88.2 | Confident | 107 Ų | 107 | 35.3 Ų | 35.3 | 47% | 0.469 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -57.1 | -45.8 | 177.8 | 178.6 | -97.3 | 0 | 0 | 0 | 112 | L218 T258 L259 S260 S264 S265 F266 | L218-F262 HydrophobicContact CD2-CD2 4.25Å; T258-F262 WeakPolarHBondContact O-CB 3.27Å; T258-F262 PolarHBondContact O-N 3.38Å; L259-F262 PolarHBondContact O-N 2.79Å; S260-F262 PolarHBondContact O-N 3.25Å; F262-S264 PolarHBondContact O-N 3.34Å; F262-S265 WeakPolarHBondContact CA-OG 3.44Å; F262-S265 PolarHBondContact O-N 2.95Å; F262-S265 PolarHBondContact O-OG 2.88Å; F262-F266 VanDerWaalsContact O-CB 3.28Å; F262-F266 WeakPolarHBondContact O-CB 3.38Å; F262-F266 PolarHBondContact O-N 2.87Å |
| 263 | L | 91.5 | Very high | 87.9 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 29% | 0.293 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 176 | -70.3 | 167.3 | 0 | 0 | 0 | 111.7 | L259 S260 F261 L303 L307 | L259-L263 VanDerWaalsContact O-CG 3.31Å; L259-L263 WeakPolarHBondContact O-CG 3.24Å; L259-L263 PolarHBondContact O-N 3.47Å; S260-L263 PolarHBondContact O-N 3.02Å; F261-L263 VanDerWaalsContact C-N 3.33Å; F261-L263 PolarHBondContact O-N 2.97Å; L263-L303 HydrophobicContact CB-CB 4.44Å; L263-L303 HydrophobicContact CD1-CB 4.23Å; L263-L307 HydrophobicContact CD1-CB 4.48Å; L263-L307 HydrophobicContact CD1-CD2 3.91Å |
| 264 | S | 88.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 177.4 | -167.5 | 0 | 0 | 0 | 0 | 112.2 | Y88 S260 F261 F262 S267 F268 | Y88-S264 WeakPolarHBondContact OH-CB 3.36Å; Y88-S264 PolarHBondContact OH-OG 3.26Å; S260-S264 PolarHBondContact O-N 3.34Å; S260-S264 VanDerWaalsContact O-N 3.09Å; F261-S264 CarbonylContact O-C 3.59Å; F261-S264 PolarHBondContact O-N 2.75Å; F261-S264 VanDerWaalsContact O-N 3.14Å; F262-S264 PolarHBondContact O-N 3.34Å; S264-S267 PolarHBondContact O-N 3.04Å; S264-F268 VanDerWaalsContact O-CD2 3.27Å; S264-F268 WeakPolarHBondContact O-CD2 3.46Å; S264-F268 PolarHBondContact O-N 3.42Å |
| 265 | S | 89.8 | Confident | 87.3 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.4 | -31.9 | -178.7 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | F261 F262 S267 F268 V269 | F261-S265 WeakPolarHBondContact O-CB 3.4Å; F261-S265 PolarHBondContact O-N 3.33Å; F261-S265 PolarHBondContact O-OG 3.44Å; F261-S265 VanDerWaalsContact O-OG 3.07Å; F262-S265 WeakPolarHBondContact CA-OG 3.44Å; F262-S265 PolarHBondContact O-N 2.95Å; F262-S265 PolarHBondContact O-OG 2.88Å; S265-S267 VanDerWaalsContact C-N 3.26Å; S265-S267 PolarHBondContact O-N 2.81Å; S265-F268 PolarHBondContact O-N 2.72Å; S265-F268 VanDerWaalsContact O-N 3.17Å; S265-V269 WeakPolarHBondContact O-CG2 3.43Å; S265-V269 PolarHBondContact O-N 2.99Å |
| 266 | F | 89.2 | Confident | 86.7 | Confident | 123 Ų | 123 | 35.6 Ų | 35.6 | 54% | 0.539 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 174.3 | 179.2 | -98.3 | 0 | 0 | 0 | 110.4 | F262 V269 A270 | F262-F266 VanDerWaalsContact O-CB 3.28Å; F262-F266 WeakPolarHBondContact O-CB 3.38Å; F262-F266 PolarHBondContact O-N 2.87Å; F266-V269 PolarHBondContact O-N 3.36Å; F266-A270 WeakPolarHBondContact O-CB 3.44Å; F266-A270 PolarHBondContact O-N 3.29Å |
| 267 | S | 86.3 | Confident | 86 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 12% | 0.119 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.9 | -48.4 | 173 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | S264 S265 V269 A270 T271 G300 | S264-S267 PolarHBondContact O-N 3.04Å; S265-S267 VanDerWaalsContact C-N 3.26Å; S265-S267 PolarHBondContact O-N 2.81Å; S267-V269 PolarHBondContact O-N 3.41Å; S267-A270 PolarHBondContact O-N 2.85Å; S267-T271 WeakPolarHBondContact O-CB 2.91Å; S267-T271 PolarHBondContact O-N 3.47Å; S267-T271 PolarHBondContact O-OG1 2.84Å; S267-G300 WeakPolarHBondContact OG-CA 3.47Å; S267-G300 PolarHBondContact OG-N 3.27Å |
| 268 | F | 86.1 | Confident | 85.2 | Confident | 31 Ų | 31 | 39.7 Ų | 39.7 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -43.1 | 178.4 | -77.7 | -70.9 | 0 | 0 | 0 | 113.9 | L91 V133 I214 S264 S265 S272 | L91-F268 HydrophobicContact CD1-CE1 4.49Å; L91-F268 HydrophobicContact CD1-CZ 4.35Å; L91-F268 HydrophobicContact CD2-CE1 4.47Å; L91-F268 HydrophobicContact CD2-CE2 4.37Å; L91-F268 HydrophobicContact CD2-CZ 3.64Å; V133-F268 HydrophobicContact CG1-CE2 4.26Å; I214-F268 HydrophobicContact CD1-CB 3.91Å; S264-F268 VanDerWaalsContact O-CD2 3.27Å; S264-F268 WeakPolarHBondContact O-CD2 3.46Å; S264-F268 PolarHBondContact O-N 3.42Å; S265-F268 PolarHBondContact O-N 2.72Å; S265-F268 VanDerWaalsContact O-N 3.17Å; F268-S272 WeakPolarHBondContact O-CB 3.16Å; F268-S272 PolarHBondContact O-N 3.34Å; F268-S272 PolarHBondContact O-OG 3.09Å |
| 269 | V | 87 | Confident | 84.3 | Confident | 56 Ų | 56 | 41.7 Ų | 41.7 | 34% | 0.339 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.9 | -45 | 177.5 | 172.5 | 0 | 0 | 0 | 0 | 109.8 | I214 S265 F266 S267 S272 V273 | I214-V269 HydrophobicContact CG2-CG2 4.32Å; S265-V269 WeakPolarHBondContact O-CG2 3.43Å; S265-V269 PolarHBondContact O-N 2.99Å; F266-V269 PolarHBondContact O-N 3.36Å; S267-V269 PolarHBondContact O-N 3.41Å; V269-S272 PolarHBondContact O-N 3.01Å; V269-S272 VanDerWaalsContact O-N 3.1Å; V269-V273 HydrophobicContact CG1-CG2 4.26Å; V269-V273 WeakPolarHBondContact O-CG2 3.48Å; V269-V273 PolarHBondContact O-N 2.92Å |
| 270 | A | 85.4 | Confident | 83.6 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | F266 S267 S272 V273 T274 F293 | F266-A270 WeakPolarHBondContact O-CB 3.44Å; F266-A270 PolarHBondContact O-N 3.29Å; S267-A270 PolarHBondContact O-N 2.85Å; A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 3.1Å; A270-V273 PolarHBondContact O-N 3.02Å; A270-T274 WeakPolarHBondContact O-CB 3.28Å; A270-T274 PolarHBondContact O-N 3.34Å; A270-T274 PolarHBondContact O-OG1 3.21Å; A270-F293 HydrophobicContact CB-CE1 3.44Å; A270-F293 VanDerWaalsContact CB-CE1 3.44Å; A270-F293 HydrophobicContact CB-CZ 3.67Å |
| 271 | T | 82.1 | Confident | 82.9 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.092 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.8 | -44.9 | 170.6 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | S267 T274 V275 L294 N297 | S267-T271 WeakPolarHBondContact O-CB 2.91Å; S267-T271 PolarHBondContact O-N 3.47Å; S267-T271 PolarHBondContact O-OG1 2.84Å; T271-T274 PolarHBondContact O-N 3.49Å; T271-V275 VanDerWaalsContact O-CG2 3.28Å; T271-V275 WeakPolarHBondContact O-CG2 3.34Å; T271-V275 PolarHBondContact O-N 3.24Å; T271-L294 HydrophobicContact CG2-CD1 3.32Å; T271-N297 PolarHBondContact OG1-OD1 3.3Å |
| 272 | S | 81.9 | Confident | 82.2 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -41.9 | -178.6 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | R207 F268 V269 A270 V275 V276 | R207-S272 PolarHBondContact NH1-OG 3.31Å; R207-S272 VanDerWaalsContact NH1-OG 3.12Å; F268-S272 WeakPolarHBondContact O-CB 3.16Å; F268-S272 PolarHBondContact O-N 3.34Å; F268-S272 PolarHBondContact O-OG 3.09Å; V269-S272 PolarHBondContact O-N 3.01Å; V269-S272 VanDerWaalsContact O-N 3.1Å; A270-S272 VanDerWaalsContact C-N 3.27Å; A270-S272 PolarHBondContact O-N 3.1Å; S272-V275 PolarHBondContact O-N 3.08Å; S272-V276 WeakPolarHBondContact O-CG2 3.21Å; S272-V276 PolarHBondContact O-N 3.16Å |
| 273 | V | 82.2 | Confident | 81.5 | Confident | 74 Ų | 74 | 53.1 Ų | 53.1 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 175.1 | 170 | 0 | 0 | 0 | 0 | 110.8 | V269 A270 V275 V276 I277 | V269-V273 HydrophobicContact CG1-CG2 4.26Å; V269-V273 WeakPolarHBondContact O-CG2 3.48Å; V269-V273 PolarHBondContact O-N 2.92Å; A270-V273 PolarHBondContact O-N 3.02Å; V273-V275 PolarHBondContact O-N 3.4Å; V273-V276 PolarHBondContact O-N 3.03Å; V273-I277 HydrophobicContact CG1-CD1 3.56Å; V273-I277 HydrophobicContact CG1-CG1 4.17Å; V273-I277 WeakPolarHBondContact O-CB 3.36Å; V273-I277 VanDerWaalsContact O-CG1 3.27Å; V273-I277 WeakPolarHBondContact O-CG1 3.26Å; V273-I277 PolarHBondContact O-N 3.07Å |
| 274 | T | 80.6 | Confident | 80.7 | Confident | 15 Ų | 15 | 54.6 Ų | 54.6 | 9% | 0.092 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 177.5 | -66 | 0 | 0 | 0 | 0 | 111.7 | A270 T271 I277 S278 V290 L294 | A270-T274 WeakPolarHBondContact O-CB 3.28Å; A270-T274 PolarHBondContact O-N 3.34Å; A270-T274 PolarHBondContact O-OG1 3.21Å; T271-T274 PolarHBondContact O-N 3.49Å; T274-I277 PolarHBondContact O-N 3.12Å; T274-S278 WeakPolarHBondContact O-CB 3.4Å; T274-S278 PolarHBondContact O-N 2.95Å; T274-S278 PolarHBondContact O-OG 2.87Å; T274-V290 HydrophobicContact CG2-CB 4.27Å; T274-V290 HydrophobicContact CG2-CG1 3.28Å; T274-V290 WeakPolarHBondContact CG2-O 3.48Å; T274-V290 WeakPolarHBondContact O-CG1 3.43Å; T274-L294 HydrophobicContact CG2-CB 3.95Å; T274-L294 HydrophobicContact CG2-CD1 4.29Å |
| 275 | V | 76.8 | Confident | 80.2 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 16% | 0.164 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61 | -49.5 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | T271 S272 V273 I277 S278 E279 L294 | T271-V275 VanDerWaalsContact O-CG2 3.28Å; T271-V275 WeakPolarHBondContact O-CG2 3.34Å; T271-V275 PolarHBondContact O-N 3.24Å; S272-V275 PolarHBondContact O-N 3.08Å; V273-V275 PolarHBondContact O-N 3.4Å; V275-I277 PolarHBondContact O-N 3.15Å; V275-S278 PolarHBondContact O-N 3.23Å; V275-S278 PolarHBondContact O-OG 3.16Å; V275-E279 PolarHBondContact O-N 2.89Å; V275-L294 HydrophobicContact CG2-CD1 4.26Å; V275-L294 HydrophobicContact CG2-CD2 4.28Å |
| 276 | V | 77.3 | Confident | 79.6 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | S272 V273 S278 E279 Y280 | S272-V276 WeakPolarHBondContact O-CG2 3.21Å; S272-V276 PolarHBondContact O-N 3.16Å; V273-V276 PolarHBondContact O-N 3.03Å; V276-S278 VanDerWaalsContact C-N 3.26Å; V276-S278 PolarHBondContact O-N 3.28Å; V276-E279 WeakPolarHBondContact O-CB 3.37Å; V276-E279 PolarHBondContact O-N 2.85Å; V276-E279 VanDerWaalsContact O-N 3.16Å; V276-Y280 HydrophobicContact CG1-CD2 4.16Å; V276-Y280 HydrophobicContact CG1-CE2 3.83Å; V276-Y280 WeakPolarHBondContact O-CD2 3.37Å |
| 277 | I | 75.8 | Confident | 79.1 | Confident | 70 Ų | 70 | 56.4 Ų | 56.4 | 36% | 0.359 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 177.5 | -71.8 | 173.1 | 0 | 0 | 0 | 110.8 | V273 T274 V275 E279 Y280 V281 V290 | V273-I277 HydrophobicContact CG1-CD1 3.56Å; V273-I277 HydrophobicContact CG1-CG1 4.17Å; V273-I277 WeakPolarHBondContact O-CB 3.36Å; V273-I277 VanDerWaalsContact O-CG1 3.27Å; V273-I277 WeakPolarHBondContact O-CG1 3.26Å; V273-I277 PolarHBondContact O-N 3.07Å; T274-I277 PolarHBondContact O-N 3.12Å; V275-I277 PolarHBondContact O-N 3.15Å; I277-E279 PolarHBondContact O-N 2.88Å; I277-E279 VanDerWaalsContact O-N 3.17Å; I277-Y280 PolarHBondContact O-N 2.82Å; I277-V281 HydrophobicContact CG2-CG2 3.43Å; I277-V281 VanDerWaalsContact CG2-CG2 3.43Å; I277-V281 VanDerWaalsContact O-CG2 3.3Å; I277-V281 WeakPolarHBondContact O-CG2 3.4Å; I277-V281 PolarHBondContact O-N 3.4Å; I277-V290 HydrophobicContact CG2-CG1 4.5Å; I277-V290 HydrophobicContact CG2-CG2 4.11Å |
| 278 | S | 72.2 | Confident | 78.8 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.2 | -22.6 | -179.5 | 71.6 | 0 | 0 | 0 | 0 | 113.7 | T274 V275 V276 | T274-S278 WeakPolarHBondContact O-CB 3.4Å; T274-S278 PolarHBondContact O-N 2.95Å; T274-S278 PolarHBondContact O-OG 2.87Å; V275-S278 PolarHBondContact O-N 3.23Å; V275-S278 PolarHBondContact O-OG 3.16Å; V276-S278 VanDerWaalsContact C-N 3.26Å; V276-S278 PolarHBondContact O-N 3.28Å |
| 279 | E | 69.6 | Low | 78.6 | Confident | 60 Ų | 60 | 57.9 Ų | 57.9 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -78.2 | -25.6 | 173.8 | -69.6 | 163.2 | -146.2 | 0 | 0 | 113 | W200 V275 V276 I277 | W200-E279 WeakPolarHBondContact CH2-OE1 3.48Å; V275-E279 PolarHBondContact O-N 2.89Å; V276-E279 WeakPolarHBondContact O-CB 3.37Å; V276-E279 PolarHBondContact O-N 2.85Å; V276-E279 VanDerWaalsContact O-N 3.16Å; I277-E279 PolarHBondContact O-N 2.88Å; I277-E279 VanDerWaalsContact O-N 3.17Å |
| 280 | Y | 77.8 | Confident | 78.3 | Confident | 167 Ų | 167 | 56.3 Ų | 56.3 | 66% | 0.655 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -100.9 | -18.8 | -177.5 | -67.3 | -74.1 | 0 | 0 | 0 | 113.8 | V276 I277 Q282 | V276-Y280 HydrophobicContact CG1-CD2 4.16Å; V276-Y280 HydrophobicContact CG1-CE2 3.83Å; V276-Y280 WeakPolarHBondContact O-CD2 3.37Å; I277-Y280 PolarHBondContact O-N 2.82Å; Y280-Q282 PolarHBondContact O-N 3.27Å |
| 281 | V | 76.1 | Confident | 78.1 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 31% | 0.312 | C | S | . | . | trans | -78.9 | 115.4 | -179.2 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | I277 D283 T286 L287 | I277-V281 HydrophobicContact CG2-CG2 3.43Å; I277-V281 VanDerWaalsContact CG2-CG2 3.43Å; I277-V281 VanDerWaalsContact O-CG2 3.3Å; I277-V281 WeakPolarHBondContact O-CG2 3.4Å; I277-V281 PolarHBondContact O-N 3.4Å; V281-D283 HydrophobicContact CG1-CB 4.49Å; V281-D283 VanDerWaalsContact CG1-O 3.31Å; V281-D283 WeakPolarHBondContact CG1-O 3.37Å; V281-T286 HydrophobicContact CG1-CG2 3.76Å; V281-T286 HydrophobicContact CG2-CG2 4.1Å; V281-L287 HydrophobicContact CG1-CB 3.98Å | ||
| 282 | Q | 76.9 | Confident | 78.2 | Confident | 159 Ų | 159 | 59.1 Ų | 59.1 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | trans | -88.9 | -21.2 | 175.8 | -59.9 | -178.4 | -17.1 | 0 | 0 | 113.1 | V7 Y280 | V7-Q282 HydrophobicContact CG1-CB 3.95Å; V7-Q282 HydrophobicContact CG1-CG 3.88Å; Y280-Q282 PolarHBondContact O-N 3.27Å | ||
| 283 | D | 78.8 | Confident | 78.2 | Confident | 79 Ų | 79 | 62.9 Ų | 62.9 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | trans | -80 | 123.7 | -179.3 | 174.6 | 53 | 0 | 0 | 0 | 111.9 | V281 S285 T286 L287 | V281-D283 HydrophobicContact CG1-CB 4.49Å; V281-D283 VanDerWaalsContact CG1-O 3.31Å; V281-D283 WeakPolarHBondContact CG1-O 3.37Å; D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 3.49Å; D283-S285 PolarHBondContact OD2-N 2.92Å; D283-S285 PolarHBondContact OD2-OG 3.3Å; D283-T286 PolarHBondContact O-N 3.12Å; D283-T286 WeakPolarHBondContact OD2-CB 3.32Å; D283-T286 PolarHBondContact OD2-N 2.79Å; D283-T286 PolarHBondContact OD2-OG1 3.03Å; D283-L287 WeakPolarHBondContact O-CB 3.29Å; D283-L287 PolarHBondContact O-N 2.84Å | ||
| 284 | E | 73.8 | Confident | 78.1 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 40% | 0.402 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | -178.6 | 177.2 | 178.4 | 177.1 | 0 | 0 | 112.3 | F33 L36 T286 L287 L288 | F33-E284 HydrophobicContact CE2-CB 4.49Å; F33-E284 HydrophobicContact CE2-CG 3.99Å; L36-E284 WeakPolarHBondContact CD2-OE1 3.18Å; E284-T286 PolarHBondContact O-N 3.1Å; E284-L287 PolarHBondContact O-N 2.82Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 PolarHBondContact O-N 2.9Å |
| 285 | S | 78 | Confident | 78.3 | Confident | 79 Ų | 79 | 60.9 Ų | 60.9 | 55% | 0.552 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.3 | -40.5 | -175.7 | 83.3 | 0 | 0 | 0 | 0 | 111.9 | D283 A289 | D283-S285 VanDerWaalsContact C-N 3.31Å; D283-S285 PolarHBondContact O-N 3.49Å; D283-S285 PolarHBondContact OD2-N 2.92Å; D283-S285 PolarHBondContact OD2-OG 3.3Å; S285-A289 PolarHBondContact O-N 2.04Å; S285-A289 VanDerWaalsContact O-N 3.16Å |
| 286 | T | 78.4 | Confident | 78.7 | Confident | 63 Ų | 63 | 61.8 Ų | 61.8 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.3 | -43.3 | 176.5 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | V281 D283 E284 L288 A289 V290 | V281-T286 HydrophobicContact CG1-CG2 3.76Å; V281-T286 HydrophobicContact CG2-CG2 4.1Å; D283-T286 PolarHBondContact O-N 3.12Å; D283-T286 WeakPolarHBondContact OD2-CB 3.32Å; D283-T286 PolarHBondContact OD2-N 2.79Å; D283-T286 PolarHBondContact OD2-OG1 3.03Å; E284-T286 PolarHBondContact O-N 3.1Å; T286-L288 PolarHBondContact O-N 3.15Å; T286-A289 PolarHBondContact O-N 3.04Å; T286-V290 HydrophobicContact CG2-CG2 4.49Å; T286-V290 WeakPolarHBondContact O-CB 3.39Å; T286-V290 VanDerWaalsContact O-CG2 3.24Å; T286-V290 WeakPolarHBondContact O-CG2 3.09Å; T286-V290 PolarHBondContact O-N 3.35Å |
| 287 | L | 77.6 | Confident | 79.1 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 178.1 | 178.8 | 55.5 | 0 | 0 | 0 | 111.5 | F33 V281 D283 E284 A289 V290 L291 | F33-L287 HydrophobicContact CE1-CD2 3.83Å; F33-L287 HydrophobicContact CZ-CD2 3.51Å; F33-L287 HydrophobicContact CZ-CG 4.35Å; V281-L287 HydrophobicContact CG1-CB 3.98Å; D283-L287 WeakPolarHBondContact O-CB 3.29Å; D283-L287 PolarHBondContact O-N 2.84Å; E284-L287 PolarHBondContact O-N 2.82Å; L287-A289 PolarHBondContact O-N 3.37Å; L287-V290 WeakPolarHBondContact O-CB 3.46Å; L287-V290 PolarHBondContact O-N 3.2Å; L287-L291 HydrophobicContact CD1-CD1 4.01Å; L287-L291 HydrophobicContact CD1-CG 4.2Å; L287-L291 HydrophobicContact CG-CD1 4Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.2Å |
| 288 | L | 80.2 | Confident | 79.8 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -44.3 | 174.3 | 174.8 | 74.6 | 0 | 0 | 0 | 112.1 | L37 Q40 L41 E284 T286 V290 L291 K292 | L37-L288 HydrophobicContact CD1-CB 3.88Å; L37-L288 HydrophobicContact CD1-CD1 3.46Å; L37-L288 VanDerWaalsContact CD1-CD1 3.46Å; L37-L288 HydrophobicContact CD1-CG 4.25Å; L37-L288 HydrophobicContact CG-CD1 4.3Å; Q40-L288 HydrophobicContact CB-CD1 3.79Å; L41-L288 HydrophobicContact CD2-CD1 4.37Å; E284-L288 WeakPolarHBondContact O-CB 3.25Å; E284-L288 PolarHBondContact O-N 2.9Å; T286-L288 PolarHBondContact O-N 3.15Å; L288-V290 VanDerWaalsContact C-N 3.32Å; L288-V290 PolarHBondContact O-N 3.28Å; L288-L291 PolarHBondContact O-N 3.19Å; L288-K292 HydrophobicContact CG-CD 4.21Å; L288-K292 VanDerWaalsContact O-CG 3.29Å; L288-K292 WeakPolarHBondContact O-CG 3.4Å; L288-K292 PolarHBondContact O-N 3.4Å |
| 289 | A | 81.2 | Confident | 80.8 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S285 T286 L287 K292 F293 | S285-A289 PolarHBondContact O-N 2.04Å; S285-A289 VanDerWaalsContact O-N 3.16Å; T286-A289 PolarHBondContact O-N 3.04Å; L287-A289 PolarHBondContact O-N 3.37Å; A289-K292 PolarHBondContact O-N 2.79Å; A289-F293 PolarHBondContact O-N 3.14Å |
| 290 | V | 81.3 | Confident | 81.8 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175 | 165.6 | 0 | 0 | 0 | 0 | 110.5 | T274 I277 T286 L287 L288 F293 L294 | T274-V290 HydrophobicContact CG2-CB 4.27Å; T274-V290 HydrophobicContact CG2-CG1 3.28Å; T274-V290 WeakPolarHBondContact CG2-O 3.48Å; T274-V290 WeakPolarHBondContact O-CG1 3.43Å; I277-V290 HydrophobicContact CG2-CG1 4.5Å; I277-V290 HydrophobicContact CG2-CG2 4.11Å; T286-V290 HydrophobicContact CG2-CG2 4.49Å; T286-V290 WeakPolarHBondContact O-CB 3.39Å; T286-V290 VanDerWaalsContact O-CG2 3.24Å; T286-V290 WeakPolarHBondContact O-CG2 3.09Å; T286-V290 PolarHBondContact O-N 3.35Å; L287-V290 WeakPolarHBondContact O-CB 3.46Å; L287-V290 PolarHBondContact O-N 3.2Å; L288-V290 VanDerWaalsContact C-N 3.32Å; L288-V290 PolarHBondContact O-N 3.28Å; V290-F293 PolarHBondContact O-N 3.26Å; V290-L294 PolarHBondContact O-N 3.05Å |
| 291 | L | 81.1 | Confident | 82.5 | Confident | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 179.4 | -70.2 | 169.5 | 0 | 0 | 0 | 114 | L37 L41 L287 L288 F293 L294 C295 | L37-L291 HydrophobicContact CD1-CD1 4.25Å; L37-L291 HydrophobicContact CD2-CD1 3.25Å; L37-L291 HydrophobicContact CG-CD1 4.11Å; L41-L291 HydrophobicContact CD1-CB 4.24Å; L41-L291 HydrophobicContact CD2-CB 3.96Å; L287-L291 HydrophobicContact CD1-CD1 4.01Å; L287-L291 HydrophobicContact CD1-CG 4.2Å; L287-L291 HydrophobicContact CG-CD1 4Å; L287-L291 WeakPolarHBondContact O-CB 3.49Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.2Å; L288-L291 PolarHBondContact O-N 3.19Å; L291-F293 VanDerWaalsContact C-N 3.32Å; L291-L294 HydrophobicContact CD2-CD2 4.09Å; L291-L294 WeakPolarHBondContact O-CB 3.18Å; L291-L294 PolarHBondContact O-N 2.97Å; L291-C295 PolarHBondContact O-N 3.39Å; L291-C295 VanDerWaalsContact O-N 3.08Å; L291-C295 PolarHBondContact O-SG 3.13Å |
| 292 | K | 84.8 | Confident | 83.4 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 25% | 0.252 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 172.2 | -76.7 | 171.4 | 175.4 | 170.9 | 0 | 111.1 | L41 F44 L288 A289 L294 C295 | L41-K292 HydrophobicContact CD2-CB 4.46Å; L41-K292 HydrophobicContact CD2-CG 3.77Å; F44-K292 HydrophobicContact CD1-CB 4.16Å; F44-K292 HydrophobicContact CD1-CG 4.49Å; F44-K292 HydrophobicContact CD2-CB 4.36Å; F44-K292 HydrophobicContact CD2-CD 4.35Å; F44-K292 HydrophobicContact CD2-CG 3.83Å; F44-K292 HydrophobicContact CE1-CB 4Å; F44-K292 HydrophobicContact CE1-CD 4.45Å; F44-K292 HydrophobicContact CE1-CG 4.27Å; F44-K292 HydrophobicContact CE2-CB 4.22Å; F44-K292 HydrophobicContact CE2-CD 3.61Å; F44-K292 HydrophobicContact CE2-CG 3.59Å; F44-K292 HydrophobicContact CG-CB 4.34Å; F44-K292 HydrophobicContact CG-CG 4.29Å; F44-K292 HydrophobicContact CZ-CB 4.04Å; F44-K292 HydrophobicContact CZ-CD 3.67Å; F44-K292 HydrophobicContact CZ-CG 3.83Å; L288-K292 HydrophobicContact CG-CD 4.21Å; L288-K292 VanDerWaalsContact O-CG 3.29Å; L288-K292 WeakPolarHBondContact O-CG 3.4Å; L288-K292 PolarHBondContact O-N 3.4Å; A289-K292 PolarHBondContact O-N 2.79Å; K292-L294 VanDerWaalsContact C-N 3.33Å; K292-C295 WeakPolarHBondContact O-CB 3.1Å; K292-C295 PolarHBondContact O-N 3.19Å |
| 293 | F | 81.7 | Confident | 84.2 | Confident | 94 Ų | 94 | 45.2 Ų | 45.2 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 174.5 | -178.7 | -92.4 | 0 | 0 | 0 | 111.6 | A270 A289 V290 L291 C295 L296 | A270-F293 HydrophobicContact CB-CE1 3.44Å; A270-F293 VanDerWaalsContact CB-CE1 3.44Å; A270-F293 HydrophobicContact CB-CZ 3.67Å; A289-F293 PolarHBondContact O-N 3.14Å; V290-F293 PolarHBondContact O-N 3.26Å; L291-F293 VanDerWaalsContact C-N 3.32Å; F293-C295 PolarHBondContact O-N 3.32Å; F293-L296 PolarHBondContact O-N 3.47Å; F293-L296 VanDerWaalsContact O-N 3.07Å |
| 294 | L | 80.7 | Confident | 84.9 | Confident | 37 Ų | 37 | 41.5 Ų | 41.5 | 19% | 0.194 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61 | -26 | 176 | -168.6 | 61.2 | 0 | 0 | 0 | 113.6 | T271 T274 V275 V290 L291 K292 L296 N297 | T271-L294 HydrophobicContact CG2-CD1 3.32Å; T274-L294 HydrophobicContact CG2-CB 3.95Å; T274-L294 HydrophobicContact CG2-CD1 4.29Å; V275-L294 HydrophobicContact CG2-CD1 4.26Å; V275-L294 HydrophobicContact CG2-CD2 4.28Å; V290-L294 PolarHBondContact O-N 3.05Å; L291-L294 HydrophobicContact CD2-CD2 4.09Å; L291-L294 WeakPolarHBondContact O-CB 3.18Å; L291-L294 PolarHBondContact O-N 2.97Å; K292-L294 VanDerWaalsContact C-N 3.33Å; L294-L296 VanDerWaalsContact C-N 3.29Å; L294-L296 PolarHBondContact O-N 3.42Å; L294-N297 PolarHBondContact O-ND2 3.49Å; L294-N297 PolarHBondContact O-OD1 2.89Å |
| 295 | C | 83.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.3 | 177.2 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | F44 D48 L291 K292 F293 N297 | F44-C295 HydrophobicContact CB-CB 3.67Å; D48-C295 WeakPolarHBondContact CB-O 3.35Å; L291-C295 PolarHBondContact O-N 3.39Å; L291-C295 VanDerWaalsContact O-N 3.08Å; L291-C295 PolarHBondContact O-SG 3.13Å; K292-C295 WeakPolarHBondContact O-CB 3.1Å; K292-C295 PolarHBondContact O-N 3.19Å; F293-C295 PolarHBondContact O-N 3.32Å; C295-N297 VanDerWaalsContact C-N 3.34Å; C295-N297 PolarHBondContact O-N 2.93Å |
| 296 | L | 85.4 | Confident | 86.4 | Confident | 46 Ų | 46 | 35.8 Ų | 35.8 | 24% | 0.241 | 19% | 0.192 | C | C | . | . | trans | -96.7 | 43.8 | -175.3 | -65.2 | 173 | 0 | 0 | 0 | 112.7 | F44 D48 F293 L294 S298 I299 | F44-L296 HydrophobicContact CD1-CD1 4.13Å; F44-L296 HydrophobicContact CD1-CD2 4.42Å; F44-L296 HydrophobicContact CD1-CG 4.23Å; D48-L296 VanDerWaalsContact OD1-C 3.3Å; D48-L296 WeakPolarHBondContact OD1-CA 3.48Å; F293-L296 PolarHBondContact O-N 3.47Å; F293-L296 VanDerWaalsContact O-N 3.07Å; L294-L296 VanDerWaalsContact C-N 3.29Å; L294-L296 PolarHBondContact O-N 3.42Å; L296-S298 PolarHBondContact O-N 3.44Å; L296-I299 HydrophobicContact CB-CD1 3.63Å; L296-I299 HydrophobicContact CB-CG1 4.08Å; L296-I299 HydrophobicContact CD1-CD1 3.92Å; L296-I299 HydrophobicContact CD2-CD1 4.37Å; L296-I299 HydrophobicContact CG-CD1 4.19Å; L296-I299 PolarHBondContact O-N 3.42Å | ||
| 297 | N | 86.1 | Confident | 87 | Confident | 33 Ų | 33 | 34.6 Ų | 34.6 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24 | -174.3 | -72.1 | -40.1 | 0 | 0 | 0 | 113 | D48 I95 T271 L294 C295 I299 | D48-N297 PolarHBondContact OD1-N 2.94Å; I95-N297 HydrophobicContact CD1-CB 4.07Å; T271-N297 PolarHBondContact OG1-OD1 3.3Å; L294-N297 PolarHBondContact O-ND2 3.49Å; L294-N297 PolarHBondContact O-OD1 2.89Å; C295-N297 VanDerWaalsContact C-N 3.34Å; C295-N297 PolarHBondContact O-N 2.93Å; N297-I299 VanDerWaalsContact C-N 3.28Å; N297-I299 PolarHBondContact O-N 3.2Å |
| 298 | S | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -75 | -15.9 | -177.5 | -53.1 | 0 | 0 | 0 | 0 | 113.3 | D48 S52 N92 L296 G300 S301 F302 | D48-S298 WeakPolarHBondContact OD1-CB 2.93Å; D48-S298 PolarHBondContact OD1-N 3.13Å; D48-S298 PolarHBondContact OD1-OG 3.14Å; D48-S298 PolarHBondContact OD2-N 2.88Å; D48-S298 PolarHBondContact OD2-OG 3.05Å; S52-S298 PolarHBondContact OG-OG 3.17Å; N92-S298 PolarHBondContact OD1-OG 3.36Å; L296-S298 PolarHBondContact O-N 3.44Å; S298-G300 PolarHBondContact O-N 3.48Å; S298-S301 PolarHBondContact O-N 3.21Å; S298-F302 WeakPolarHBondContact O-CB 3.02Å; S298-F302 PolarHBondContact O-N 2.89Å |
| 299 | I | 91.9 | Very high | 87.9 | Confident | 65 Ų | 65 | 33.9 Ų | 33.9 | 33% | 0.333 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.3 | -44.9 | -178 | -68.2 | -176.7 | 0 | 0 | 0 | 112.2 | L51 L296 N297 S301 F302 L303 | L51-I299 HydrophobicContact CD2-CB 4.36Å; L51-I299 HydrophobicContact CD2-CG1 3.6Å; L296-I299 HydrophobicContact CB-CD1 3.63Å; L296-I299 HydrophobicContact CB-CG1 4.08Å; L296-I299 HydrophobicContact CD1-CD1 3.92Å; L296-I299 HydrophobicContact CD2-CD1 4.37Å; L296-I299 HydrophobicContact CG-CD1 4.19Å; L296-I299 PolarHBondContact O-N 3.42Å; N297-I299 VanDerWaalsContact C-N 3.28Å; N297-I299 PolarHBondContact O-N 3.2Å; I299-S301 VanDerWaalsContact C-N 3.33Å; I299-S301 PolarHBondContact O-N 3.33Å; I299-F302 PolarHBondContact O-N 3.23Å; I299-L303 HydrophobicContact CG2-CD1 3.7Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; I299-L303 WeakPolarHBondContact O-CB 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.43Å; I299-L303 PolarHBondContact O-N 3.05Å |
| 300 | G | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S267 S298 S304 | S267-G300 WeakPolarHBondContact OG-CA 3.47Å; S267-G300 PolarHBondContact OG-N 3.27Å; S298-G300 PolarHBondContact O-N 3.48Å; G300-S304 WeakPolarHBondContact O-CB 3.5Å; G300-S304 PolarHBondContact O-N 2.77Å |
| 301 | S | 93.1 | Very high | 88.5 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 176.2 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | Y88 N92 S298 I299 L303 S304 I305 | Y88-S301 WeakPolarHBondContact CD1-OG 3.38Å; N92-S301 PolarHBondContact ND2-OG 3.2Å; S298-S301 PolarHBondContact O-N 3.21Å; I299-S301 VanDerWaalsContact C-N 3.33Å; I299-S301 PolarHBondContact O-N 3.33Å; S301-L303 PolarHBondContact O-N 2.83Å; S301-S304 WeakPolarHBondContact O-CB 3.37Å; S301-S304 PolarHBondContact O-N 3.42Å; S301-I305 WeakPolarHBondContact O-CD1 3.37Å; S301-I305 VanDerWaalsContact O-CG1 3.31Å; S301-I305 WeakPolarHBondContact O-CG1 3.34Å; S301-I305 PolarHBondContact O-N 3.28Å |
| 302 | F | 94.2 | Very high | 88.6 | Confident | 62 Ų | 62 | 40.7 Ų | 40.7 | 27% | 0.272 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.7 | -51.1 | 179.2 | 176.9 | -103.5 | 0 | 0 | 0 | 112.4 | L51 V54 V55 S298 I299 S304 I305 N306 | L51-F302 HydrophobicContact CD1-CB 3.8Å; L51-F302 HydrophobicContact CD1-CD1 4.04Å; L51-F302 HydrophobicContact CD1-CD2 3.6Å; L51-F302 HydrophobicContact CD1-CE2 4.16Å; L51-F302 HydrophobicContact CD1-CG 3.53Å; L51-F302 HydrophobicContact CD2-CB 4.41Å; L51-F302 HydrophobicContact CG-CB 4.17Å; L51-F302 HydrophobicContact CG-CG 4.43Å; V54-F302 HydrophobicContact CG1-CD2 4.28Å; V54-F302 HydrophobicContact CG1-CE2 3.98Å; V55-F302 HydrophobicContact CG2-CB 3.68Å; V55-F302 HydrophobicContact CG2-CD2 4.13Å; V55-F302 HydrophobicContact CG2-CG 4.43Å; S298-F302 WeakPolarHBondContact O-CB 3.02Å; S298-F302 PolarHBondContact O-N 2.89Å; I299-F302 PolarHBondContact O-N 3.23Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 3.31Å; F302-I305 PolarHBondContact O-N 3.2Å; F302-N306 VanDerWaalsContact CD2-ND2 3.34Å; F302-N306 WeakPolarHBondContact CD2-ND2 3.39Å; F302-N306 WeakPolarHBondContact CE2-ND2 3.49Å; F302-N306 WeakPolarHBondContact O-CB 3.4Å; F302-N306 PolarHBondContact O-N 3.49Å; F302-N306 PolarHBondContact O-ND2 3.49Å |
| 303 | L | 93.8 | Very high | 88.3 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 40% | 0.403 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 179.1 | -68.6 | 177.1 | 0 | 0 | 0 | 111.8 | L263 I299 S301 L307 | L263-L303 HydrophobicContact CB-CB 4.44Å; L263-L303 HydrophobicContact CD1-CB 4.23Å; I299-L303 HydrophobicContact CG2-CD1 3.7Å; I299-L303 HydrophobicContact CG2-CG 4.11Å; I299-L303 WeakPolarHBondContact O-CB 3.26Å; I299-L303 WeakPolarHBondContact O-CG 3.43Å; I299-L303 PolarHBondContact O-N 3.05Å; S301-L303 PolarHBondContact O-N 2.83Å; L303-L307 VanDerWaalsContact O-CB 3.27Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.46Å |
| 304 | S | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -50.4 | 177.1 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | Y88 S260 G300 S301 F302 L307 L308 | Y88-S304 PolarHBondContact OH-OG 3.27Å; S260-S304 WeakPolarHBondContact O-CB 3.42Å; S260-S304 PolarHBondContact O-OG 3.2Å; S260-S304 PolarHBondContact OG-OG 2.74Å; G300-S304 WeakPolarHBondContact O-CB 3.5Å; G300-S304 PolarHBondContact O-N 2.77Å; S301-S304 WeakPolarHBondContact O-CB 3.37Å; S301-S304 PolarHBondContact O-N 3.42Å; F302-S304 VanDerWaalsContact C-N 3.34Å; F302-S304 PolarHBondContact O-N 3.31Å; S304-L307 PolarHBondContact O-N 3.22Å; S304-L308 WeakPolarHBondContact O-CG 3.16Å; S304-L308 PolarHBondContact O-N 3.27Å |
| 305 | I | 91.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -45.9 | -178.5 | -67 | 156.9 | 0 | 0 | 0 | 111.1 | V55 E58 S59 F85 Y88 S301 F302 L307 L308 L309 | V55-I305 HydrophobicContact CB-CD1 4.48Å; V55-I305 HydrophobicContact CG1-CD1 3.56Å; E58-I305 HydrophobicContact CB-CG2 4.18Å; S59-I305 WeakPolarHBondContact OG-CD1 3.46Å; F85-I305 HydrophobicContact CD1-CG1 4.31Å; F85-I305 HydrophobicContact CE1-CG1 4.19Å; F85-I305 HydrophobicContact CE1-CG2 4.17Å; Y88-I305 HydrophobicContact CD2-CD1 4.05Å; Y88-I305 HydrophobicContact CD2-CG1 3.9Å; Y88-I305 HydrophobicContact CE2-CG1 4.15Å; Y88-I305 HydrophobicContact CG-CD1 4.09Å; Y88-I305 HydrophobicContact CG-CG1 4.42Å; S301-I305 WeakPolarHBondContact O-CD1 3.37Å; S301-I305 VanDerWaalsContact O-CG1 3.31Å; S301-I305 WeakPolarHBondContact O-CG1 3.34Å; S301-I305 PolarHBondContact O-N 3.28Å; F302-I305 PolarHBondContact O-N 3.2Å; I305-L307 VanDerWaalsContact C-N 3.29Å; I305-L307 PolarHBondContact O-N 2.82Å; I305-L308 WeakPolarHBondContact O-CB 3.48Å; I305-L308 PolarHBondContact O-N 3.33Å; I305-L308 VanDerWaalsContact O-N 3.12Å; I305-L309 HydrophobicContact CG2-CD1 4Å; I305-L309 HydrophobicContact CG2-CG 4.39Å; I305-L309 WeakPolarHBondContact O-CB 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.19Å; I305-L309 PolarHBondContact O-N 2.85Å |
| 306 | N | 92.5 | Very high | 86.8 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 24% | 0.241 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -39.8 | 178.4 | -84.4 | -84.9 | 0 | 0 | 0 | 111.4 | E58 F302 L309 V310 | E58-N306 PolarHBondContact OE2-ND2 2.97Å; E58-N306 VanDerWaalsContact OE2-ND2 3.11Å; F302-N306 VanDerWaalsContact CD2-ND2 3.34Å; F302-N306 WeakPolarHBondContact CD2-ND2 3.39Å; F302-N306 WeakPolarHBondContact CE2-ND2 3.49Å; F302-N306 WeakPolarHBondContact O-CB 3.4Å; F302-N306 PolarHBondContact O-N 3.49Å; F302-N306 PolarHBondContact O-ND2 3.49Å; N306-L309 PolarHBondContact O-N 3.25Å; N306-V310 WeakPolarHBondContact O-CB 3.28Å; N306-V310 VanDerWaalsContact O-CG2 3.26Å; N306-V310 WeakPolarHBondContact O-CG2 3.47Å; N306-V310 PolarHBondContact O-N 3.38Å |
| 307 | L | 91.4 | Very high | 86.4 | Confident | 39 Ų | 39 | 42 Ų | 42 | 20% | 0.204 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 173.7 | -173.2 | 73.1 | 0 | 0 | 0 | 111.7 | L259 L263 L303 S304 I305 L309 V310 R311 | L259-L307 HydrophobicContact CB-CD2 3.55Å; L263-L307 HydrophobicContact CD1-CB 4.48Å; L263-L307 HydrophobicContact CD1-CD2 3.91Å; L303-L307 VanDerWaalsContact O-CB 3.27Å; L303-L307 WeakPolarHBondContact O-CB 3.42Å; L303-L307 PolarHBondContact O-N 3.46Å; S304-L307 PolarHBondContact O-N 3.22Å; I305-L307 VanDerWaalsContact C-N 3.29Å; I305-L307 PolarHBondContact O-N 2.82Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L307-L309 PolarHBondContact O-N 3.19Å; L307-V310 PolarHBondContact O-N 3.14Å; L307-R311 HydrophobicContact CD1-CG 4.13Å; L307-R311 HydrophobicContact CG-CG 4.35Å; L307-R311 VanDerWaalsContact O-CB 3.27Å; L307-R311 WeakPolarHBondContact O-CB 3.27Å; L307-R311 VanDerWaalsContact O-CG 3.3Å; L307-R311 WeakPolarHBondContact O-CG 3.33Å; L307-R311 PolarHBondContact O-N 3.21Å |
| 308 | L | 89.4 | Confident | 85.7 | Confident | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 177 | -72.5 | 171.3 | 0 | 0 | 0 | 111.5 | L84 F85 T256 L257 S260 S304 I305 T312 | L84-L308 HydrophobicContact CD2-CD1 4.41Å; F85-L308 HydrophobicContact CE1-CD1 4.06Å; F85-L308 HydrophobicContact CZ-CB 4.47Å; F85-L308 HydrophobicContact CZ-CD1 4.11Å; T256-L308 HydrophobicContact CG2-CD2 4.14Å; L257-L308 HydrophobicContact CD2-CD2 4.02Å; S260-L308 WeakPolarHBondContact OG-CD1 3.19Å; S260-L308 WeakPolarHBondContact OG-CG 3.4Å; S304-L308 WeakPolarHBondContact O-CG 3.16Å; S304-L308 PolarHBondContact O-N 3.27Å; I305-L308 WeakPolarHBondContact O-CB 3.48Å; I305-L308 PolarHBondContact O-N 3.33Å; I305-L308 VanDerWaalsContact O-N 3.12Å; L308-T312 WeakPolarHBondContact O-CB 3.29Å; L308-T312 PolarHBondContact O-N 3.3Å; L308-T312 PolarHBondContact O-OG1 2.99Å |
| 309 | L | 87.4 | Confident | 84.9 | Confident | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -49.1 | 177.7 | -80.9 | 174.9 | 0 | 0 | 0 | 112.3 | C62 I305 N306 L307 R311 I315 R316 I319 | C62-L309 VanDerWaalsContact SG-CD2 3.55Å; I305-L309 HydrophobicContact CG2-CD1 4Å; I305-L309 HydrophobicContact CG2-CG 4.39Å; I305-L309 WeakPolarHBondContact O-CB 3.24Å; I305-L309 WeakPolarHBondContact O-CG 3.19Å; I305-L309 PolarHBondContact O-N 2.85Å; N306-L309 PolarHBondContact O-N 3.25Å; L307-L309 VanDerWaalsContact C-N 3.35Å; L307-L309 PolarHBondContact O-N 3.19Å; L309-R311 PolarHBondContact O-N 3.44Å; L309-I315 HydrophobicContact CD2-CB 4.41Å; L309-I315 HydrophobicContact CD2-CG2 3.57Å; L309-R316 VanDerWaalsContact O-CD 3.31Å; L309-R316 WeakPolarHBondContact O-CD 3.04Å; L309-R316 WeakPolarHBondContact O-CG 3.42Å; L309-I319 HydrophobicContact CD2-CD1 3.68Å |
| 310 | V | 88.1 | Confident | 84.1 | Confident | 99 Ų | 99 | 43.6 Ų | 43.6 | 60% | 0.6 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -62.7 | -45.5 | -179.7 | 169.6 | 0 | 0 | 0 | 0 | 110.5 | N306 L307 R316 | N306-V310 WeakPolarHBondContact O-CB 3.28Å; N306-V310 VanDerWaalsContact O-CG2 3.26Å; N306-V310 WeakPolarHBondContact O-CG2 3.47Å; N306-V310 PolarHBondContact O-N 3.38Å; L307-V310 PolarHBondContact O-N 3.14Å; V310-R316 PolarHBondContact O-NH1 3.16Å |
| 311 | R | 86.7 | Confident | 83.1 | Confident | 152 Ų | 152 | 44.5 Ų | 44.5 | 57% | 0.574 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -80.7 | -22.4 | -174.4 | -68 | -73.1 | -174.6 | 172.8 | -0.1 | 114 | T256 L307 L309 | T256-R311 HydrophobicContact CG2-CB 3.38Å; T256-R311 HydrophobicContact CG2-CG 3.91Å; L307-R311 HydrophobicContact CD1-CG 4.13Å; L307-R311 HydrophobicContact CG-CG 4.35Å; L307-R311 VanDerWaalsContact O-CB 3.27Å; L307-R311 WeakPolarHBondContact O-CB 3.27Å; L307-R311 VanDerWaalsContact O-CG 3.3Å; L307-R311 WeakPolarHBondContact O-CG 3.33Å; L307-R311 PolarHBondContact O-N 3.21Å; L309-R311 PolarHBondContact O-N 3.44Å |
| 312 | T | 82.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | trans | -105.2 | 101 | -175.2 | -49.9 | 0 | 0 | 0 | 0 | 112 | L308 Q314 I315 R316 W352 | L308-T312 WeakPolarHBondContact O-CB 3.29Å; L308-T312 PolarHBondContact O-N 3.3Å; L308-T312 PolarHBondContact O-OG1 2.99Å; T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 HydrophobicContact CG2-CB 4.4Å; T312-Q314 PolarHBondContact O-N 3.08Å; T312-I315 HydrophobicContact CG2-CB 4.36Å; T312-I315 HydrophobicContact CG2-CD1 3.86Å; T312-I315 HydrophobicContact CG2-CG1 3.75Å; T312-I315 PolarHBondContact O-N 3.34Å; T312-R316 PolarHBondContact O-N 3.47Å; T312-W352 HydrophobicContact CG2-CD2 4.47Å; T312-W352 HydrophobicContact CG2-CE3 3.36Å; T312-W352 HydrophobicContact CG2-CZ3 3.58Å | ||
| 313 | K | 78.3 | Confident | 80.9 | Confident | 66 Ų | 66 | 48.3 Ų | 48.3 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.5 | -36.3 | -177.7 | -167.3 | -176.3 | -175.3 | -180 | 0 | 112.9 | R316 Q317 G354 | K313-R316 PolarHBondContact O-N 2.98Å; K313-Q317 HydrophobicContact CG-CG 4.26Å; K313-Q317 WeakPolarHBondContact O-CB 3.34Å; K313-Q317 WeakPolarHBondContact O-CG 3.24Å; K313-Q317 PolarHBondContact O-N 3.47Å; K313-G354 WeakPolarHBondContact CD-OXT 3.1Å; K313-G354 WeakPolarHBondContact CE-OXT 3.48Å; K313-G354 PolarHBondContact NZ-O 3.49Å; K313-G354 PolarHBondContact NZ-OXT 2.92Å |
| 314 | Q | 66.9 | Low | 79.6 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 179.7 | -78.3 | -176.6 | -2.4 | 0 | 0 | 113.9 | L72 T312 R316 Q317 A318 L351 W352 | L72-Q314 VanDerWaalsContact CD2-OE1 3.23Å; T312-Q314 VanDerWaalsContact C-N 3.29Å; T312-Q314 HydrophobicContact CG2-CB 4.4Å; T312-Q314 PolarHBondContact O-N 3.08Å; Q314-R316 PolarHBondContact O-N 3.02Å; Q314-Q317 PolarHBondContact O-N 3.3Å; Q314-A318 WeakPolarHBondContact O-CB 3.46Å; Q314-A318 PolarHBondContact O-N 3.45Å; Q314-L351 HydrophobicContact CG-CD2 4.07Å; Q314-L351 WeakPolarHBondContact CG-O 3.04Å; Q314-L351 PolarHBondContact NE2-O 3.2Å; Q314-L351 VanDerWaalsContact NE2-O 3.12Å; Q314-W352 VanDerWaalsContact NE2-N 3.19Å; Q314-W352 VanDerWaalsContact OE1-NE1 3.1Å |
| 315 | I | 69.8 | Low | 78 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | -178.5 | -61.6 | 173.6 | 0 | 0 | 0 | 107.8 | C62 I66 V81 F85 L309 T312 A318 I319 | C62-I315 HydrophobicContact CB-CG2 4.35Å; I66-I315 HydrophobicContact CD1-CD1 4.47Å; I66-I315 HydrophobicContact CD1-CG1 4.45Å; V81-I315 HydrophobicContact CG1-CD1 4.46Å; F85-I315 HydrophobicContact CE2-CD1 3.99Å; F85-I315 HydrophobicContact CZ-CD1 4.02Å; L309-I315 HydrophobicContact CD2-CB 4.41Å; L309-I315 HydrophobicContact CD2-CG2 3.57Å; T312-I315 HydrophobicContact CG2-CB 4.36Å; T312-I315 HydrophobicContact CG2-CD1 3.86Å; T312-I315 HydrophobicContact CG2-CG1 3.75Å; T312-I315 PolarHBondContact O-N 3.34Å; I315-A318 PolarHBondContact O-N 2.92Å; I315-I319 HydrophobicContact CG2-CD1 3.81Å; I315-I319 HydrophobicContact CG2-CG1 4.42Å; I315-I319 WeakPolarHBondContact O-CB 3.17Å; I315-I319 WeakPolarHBondContact O-CG1 3.18Å; I315-I319 PolarHBondContact O-N 2.94Å |
| 316 | R | 78.8 | Confident | 76.2 | Confident | 111 Ų | 111 | 65.3 Ų | 65.3 | 42% | 0.419 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 174 | -55.3 | -163.7 | -38.8 | -98.1 | -0 | 112.9 | L309 V310 T312 K313 Q314 A318 I319 V320 | L309-R316 VanDerWaalsContact O-CD 3.31Å; L309-R316 WeakPolarHBondContact O-CD 3.04Å; L309-R316 WeakPolarHBondContact O-CG 3.42Å; V310-R316 PolarHBondContact O-NH1 3.16Å; T312-R316 PolarHBondContact O-N 3.47Å; K313-R316 PolarHBondContact O-N 2.98Å; Q314-R316 PolarHBondContact O-N 3.02Å; R316-A318 VanDerWaalsContact C-N 3.27Å; R316-A318 PolarHBondContact O-N 3.31Å; R316-I319 PolarHBondContact O-N 3.2Å; R316-V320 WeakPolarHBondContact O-CB 3.28Å; R316-V320 VanDerWaalsContact O-CG2 3.27Å; R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 3.45Å |
| 317 | Q | 77.1 | Confident | 73.9 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | -179.9 | -77.6 | 178.9 | -21.4 | 0 | 0 | 112.2 | K313 Q314 G321 | K313-Q317 HydrophobicContact CG-CG 4.26Å; K313-Q317 WeakPolarHBondContact O-CB 3.34Å; K313-Q317 WeakPolarHBondContact O-CG 3.24Å; K313-Q317 PolarHBondContact O-N 3.47Å; Q314-Q317 PolarHBondContact O-N 3.3Å; Q317-G321 WeakPolarHBondContact O-CA 3.47Å; Q317-G321 PolarHBondContact O-N 2.64Å |
| 318 | A | 70.1 | Confident | 71.8 | Confident | 16 Ų | 16 | 75.9 Ų | 75.9 | 13% | 0.132 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -75 | -36.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | T65 L72 Q314 I315 R316 G321 L322 | T65-A318 HydrophobicContact CG2-CB 3.13Å; L72-A318 HydrophobicContact CD1-CB 4.41Å; Q314-A318 WeakPolarHBondContact O-CB 3.46Å; Q314-A318 PolarHBondContact O-N 3.45Å; I315-A318 PolarHBondContact O-N 2.92Å; R316-A318 VanDerWaalsContact C-N 3.27Å; R316-A318 PolarHBondContact O-N 3.31Å; A318-G321 PolarHBondContact O-N 3.48Å; A318-L322 PolarHBondContact O-N 3.44Å |
| 319 | I | 74.2 | Confident | 69.6 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 21% | 0.205 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 170.6 | -70.8 | 166 | 0 | 0 | 0 | 109.5 | T65 L309 I315 R316 G321 L322 C323 | T65-I319 HydrophobicContact CG2-CG1 4.12Å; T65-I319 WeakPolarHBondContact OG1-CG1 2.88Å; L309-I319 HydrophobicContact CD2-CD1 3.68Å; I315-I319 HydrophobicContact CG2-CD1 3.81Å; I315-I319 HydrophobicContact CG2-CG1 4.42Å; I315-I319 WeakPolarHBondContact O-CB 3.17Å; I315-I319 WeakPolarHBondContact O-CG1 3.18Å; I315-I319 PolarHBondContact O-N 2.94Å; R316-I319 PolarHBondContact O-N 3.2Å; I319-G321 VanDerWaalsContact C-N 3.28Å; I319-G321 PolarHBondContact O-N 3.16Å; I319-L322 PolarHBondContact O-N 3.17Å; I319-L322 VanDerWaalsContact O-N 3.12Å; I319-C323 PolarHBondContact O-N 3.33Å; I319-C323 PolarHBondContact O-SG 3.17Å; I319-C323 VanDerWaalsContact O-SG 3.36Å |
| 320 | V | 76.3 | Confident | 67.6 | Low | 77 Ų | 77 | 83.1 Ų | 83.1 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | R316 L322 C323 I324 | R316-V320 WeakPolarHBondContact O-CB 3.28Å; R316-V320 VanDerWaalsContact O-CG2 3.27Å; R316-V320 WeakPolarHBondContact O-CG2 3.28Å; R316-V320 PolarHBondContact O-N 3.45Å; V320-L322 VanDerWaalsContact C-N 3.34Å; V320-L322 PolarHBondContact O-N 3.34Å; V320-C323 PolarHBondContact O-N 2.9Å; V320-I324 HydrophobicContact CG1-CD1 3.38Å; V320-I324 HydrophobicContact CG1-CG1 4.07Å; V320-I324 VanDerWaalsContact O-CB 3.31Å; V320-I324 WeakPolarHBondContact O-CB 3.42Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.88Å |
| 321 | G | 70.2 | Confident | 65.5 | Low | 19 Ų | 19 | 88 Ų | 88 | 20% | 0.196 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q317 A318 I319 K325 | Q317-G321 WeakPolarHBondContact O-CA 3.47Å; Q317-G321 PolarHBondContact O-N 2.64Å; A318-G321 PolarHBondContact O-N 3.48Å; I319-G321 VanDerWaalsContact C-N 3.28Å; I319-G321 PolarHBondContact O-N 3.16Å; G321-K325 WeakPolarHBondContact O-CB 3.4Å; G321-K325 PolarHBondContact O-N 3.45Å |
| 322 | L | 68.6 | Low | 63.7 | Low | 57 Ų | 57 | 86.7 Ų | 86.7 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 172.8 | -88.1 | 169.7 | 0 | 0 | 0 | 112.3 | T65 L68 A318 I319 V320 I324 | T65-L322 VanDerWaalsContact CA-CD1 3.5Å; T65-L322 HydrophobicContact CG2-CD1 4.06Å; T65-L322 VanDerWaalsContact OG1-CD1 3.28Å; T65-L322 WeakPolarHBondContact OG1-CD1 3.45Å; L68-L322 HydrophobicContact CD1-CD2 4.04Å; A318-L322 PolarHBondContact O-N 3.44Å; I319-L322 PolarHBondContact O-N 3.17Å; I319-L322 VanDerWaalsContact O-N 3.12Å; V320-L322 VanDerWaalsContact C-N 3.34Å; V320-L322 PolarHBondContact O-N 3.34Å; L322-I324 VanDerWaalsContact C-N 3.3Å; L322-I324 PolarHBondContact O-N 3.45Å |
| 323 | C | 71.5 | Confident | 62.3 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 60% | 0.595 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | 174.5 | -66.1 | 0 | 0 | 0 | 0 | 111.5 | I319 V320 | I319-C323 PolarHBondContact O-N 3.33Å; I319-C323 PolarHBondContact O-SG 3.17Å; I319-C323 VanDerWaalsContact O-SG 3.36Å; V320-C323 PolarHBondContact O-N 2.9Å |
| 324 | I | 66.4 | Low | 60.9 | Low | 58 Ų | 58 | 90.6 Ų | 90.6 | 30% | 0.297 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -79.6 | -36.9 | -178.2 | -67.9 | 177.1 | 0 | 0 | 0 | 112.2 | V320 L322 K326 R327 V330 | V320-I324 HydrophobicContact CG1-CD1 3.38Å; V320-I324 HydrophobicContact CG1-CG1 4.07Å; V320-I324 VanDerWaalsContact O-CB 3.31Å; V320-I324 WeakPolarHBondContact O-CB 3.42Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.88Å; L322-I324 VanDerWaalsContact C-N 3.3Å; L322-I324 PolarHBondContact O-N 3.45Å; I324-K326 PolarHBondContact O-N 3.07Å; I324-K326 VanDerWaalsContact O-N 3.09Å; I324-R327 WeakPolarHBondContact O-CA 3.36Å; I324-R327 PolarHBondContact O-N 3.48Å; I324-R327 VanDerWaalsContact O-O 3.13Å; I324-V330 HydrophobicContact CG2-CB 3.48Å; I324-V330 VanDerWaalsContact CG2-CB 3.48Å; I324-V330 HydrophobicContact CG2-CG1 3.58Å; I324-V330 HydrophobicContact CG2-CG2 4.11Å |
| 325 | K | 59.7 | Low | 60.5 | Low | 184 Ų | 184 | 93.1 Ų | 93.1 | 80% | 0.8 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.5 | -20.6 | 179.4 | -173.9 | 177.3 | 176.4 | -170.7 | 0 | 112.6 | G321 R327 | G321-K325 WeakPolarHBondContact O-CB 3.4Å; G321-K325 PolarHBondContact O-N 3.45Å; K325-R327 VanDerWaalsContact C-N 3.31Å |
| 326 | K | 53.9 | Low | 59.7 | Low | 192 Ų | 192 | 96 Ų | 96 | 84% | 0.835 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.7 | 169.7 | -77.5 | -170.1 | 173.8 | -176 | 0 | 114.4 | I324 | I324-K326 PolarHBondContact O-N 3.07Å; I324-K326 VanDerWaalsContact O-N 3.09Å |
| 327 | R | 44.8 | Very low | 58.4 | Low | 191 Ų | 191 | 95.8 Ų | 95.8 | 72% | 0.721 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -108.8 | 117.4 | 173 | -69.2 | -166 | -176.9 | -153.5 | 1.8 | 110.7 | I324 K325 V329 | I324-R327 WeakPolarHBondContact O-CA 3.36Å; I324-R327 PolarHBondContact O-N 3.48Å; I324-R327 VanDerWaalsContact O-O 3.13Å; K325-R327 VanDerWaalsContact C-N 3.31Å; R327-V329 VanDerWaalsContact C-N 3.25Å; R327-V329 PolarHBondContact O-N 2.98Å |
| 328 | P | 46.4 | Very low | 57.2 | Low | 115 Ų | 115 | 99.5 Ų | 99.5 | 75% | 0.747 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -64.8 | -21.5 | -173.1 | 22.2 | -31.4 | 0 | 0 | 0 | 114.9 | V330 | P328-V330 VanDerWaalsContact C-N 3.31Å; P328-V330 PolarHBondContact O-N 3.35Å |
| 329 | V | 44.6 | Very low | 56.5 | Low | 127 Ų | 127 | 101.6 Ų | 101.6 | 77% | 0.77 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -76.2 | -10.9 | -172.4 | -176.6 | 0 | 0 | 0 | 0 | 113.9 | R327 | R327-V329 VanDerWaalsContact C-N 3.25Å; R327-V329 PolarHBondContact O-N 2.98Å |
| 330 | V | 45.3 | Very low | 55.4 | Low | 56 Ų | 56 | 102.3 Ų | 102.3 | 34% | 0.339 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -114.1 | 23 | -176.3 | -164.6 | 0 | 0 | 0 | 0 | 111.9 | I324 P328 D332 S333 | I324-V330 HydrophobicContact CG2-CB 3.48Å; I324-V330 VanDerWaalsContact CG2-CB 3.48Å; I324-V330 HydrophobicContact CG2-CG1 3.58Å; I324-V330 HydrophobicContact CG2-CG2 4.11Å; P328-V330 VanDerWaalsContact C-N 3.31Å; P328-V330 PolarHBondContact O-N 3.35Å; V330-D332 VanDerWaalsContact C-N 3.27Å; V330-S333 WeakPolarHBondContact CG1-OG 3.46Å |
| 331 | R | 44.4 | Very low | 54 | Low | 202 Ų | 202 | 102.2 Ų | 102.2 | 76% | 0.762 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.8 | -29.1 | 172.1 | -168.2 | 173.9 | -176.8 | 165.1 | -2.2 | 111.6 | S335 | R331-S335 WeakPolarHBondContact O-CB 3.2Å; R331-S335 PolarHBondContact O-N 3.49Å |
| 332 | D | 48.8 | Very low | 53.2 | Low | 124 Ų | 124 | 105 Ų | 105 | 66% | 0.663 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.6 | -43 | -173.4 | -62.5 | -16.6 | 0 | 0 | 0 | 111.9 | V330 L334 S335 A336 | V330-D332 VanDerWaalsContact C-N 3.27Å; D332-L334 PolarHBondContact O-N 3.34Å; D332-S335 PolarHBondContact O-N 2.74Å; D332-S335 PolarHBondContact O-OG 3.25Å; D332-A336 WeakPolarHBondContact O-CB 3.41Å; D332-A336 PolarHBondContact O-N 2.96Å |
| 333 | S | 52.5 | Low | 52.4 | Low | 69 Ų | 69 | 109.1 Ų | 109.1 | 48% | 0.483 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -68.1 | -34.1 | 177.5 | 66.5 | 0 | 0 | 0 | 0 | 113 | V330 A336 F337 | V330-S333 WeakPolarHBondContact CG1-OG 3.46Å; S333-A336 PolarHBondContact O-N 3.22Å; S333-F337 VanDerWaalsContact O-CB 3.28Å; S333-F337 WeakPolarHBondContact O-CB 3.37Å; S333-F337 PolarHBondContact O-N 2.95Å |
| 334 | L | 49 | Very low | 51.1 | Low | 82 Ų | 82 | 109.9 Ų | 109.9 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.6 | -29.9 | 177.6 | -151.8 | 116.5 | 0 | 0 | 0 | 112 | D332 R338 | D332-L334 PolarHBondContact O-N 3.34Å; L334-R338 VanDerWaalsContact O-CB 3.25Å; L334-R338 WeakPolarHBondContact O-CB 3.12Å; L334-R338 PolarHBondContact O-N 3.39Å |
| 335 | S | 58.2 | Low | 49.9 | Very low | 62 Ų | 62 | 116.9 Ų | 116.9 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.7 | -42.6 | 171.6 | 76.6 | 0 | 0 | 0 | 0 | 111.6 | R331 D332 F337 R338 A339 | R331-S335 WeakPolarHBondContact O-CB 3.2Å; R331-S335 PolarHBondContact O-N 3.49Å; D332-S335 PolarHBondContact O-N 2.74Å; D332-S335 PolarHBondContact O-OG 3.25Å; S335-F337 VanDerWaalsContact C-N 3.34Å; S335-F337 PolarHBondContact O-N 3Å; S335-R338 PolarHBondContact O-N 3.4Å; S335-A339 WeakPolarHBondContact O-CB 3.4Å; S335-A339 PolarHBondContact O-N 3.33Å |
| 336 | A | 52.9 | Low | 49.1 | Very low | 61 Ų | 61 | 111.8 Ų | 111.8 | 50% | 0.504 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.7 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D332 S333 A339 A340 | D332-A336 WeakPolarHBondContact O-CB 3.41Å; D332-A336 PolarHBondContact O-N 2.96Å; S333-A336 PolarHBondContact O-N 3.22Å; A336-A339 PolarHBondContact O-N 2.94Å; A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 3.34Å |
| 337 | F | 51.5 | Low | 48.7 | Very low | 107 Ų | 107 | 104.8 Ų | 104.8 | 47% | 0.469 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.5 | -37 | 175.1 | -171.8 | -114.7 | 0 | 0 | 0 | 112.6 | S333 S335 A339 A340 M341 | S333-F337 VanDerWaalsContact O-CB 3.28Å; S333-F337 WeakPolarHBondContact O-CB 3.37Å; S333-F337 PolarHBondContact O-N 2.95Å; S335-F337 VanDerWaalsContact C-N 3.34Å; S335-F337 PolarHBondContact O-N 3Å; F337-A339 VanDerWaalsContact C-N 3.35Å; F337-A340 PolarHBondContact O-N 3.06Å; F337-M341 HydrophobicContact CD1-CE 3.21Å; F337-M341 HydrophobicContact CD1-CG 4.36Å; F337-M341 HydrophobicContact CD1-SD 3.95Å; F337-M341 HydrophobicContact CE1-CE 3.23Å; F337-M341 HydrophobicContact CE1-CG 4Å; F337-M341 HydrophobicContact CE1-SD 3.34Å; F337-M341 WeakPolarHBondContact CE1-SD 3.49Å; F337-M341 HydrophobicContact CE2-CG 4.4Å; F337-M341 HydrophobicContact CG-CE 4.14Å; F337-M341 HydrophobicContact CZ-CE 4.17Å; F337-M341 HydrophobicContact CZ-CG 4.01Å; F337-M341 HydrophobicContact CZ-SD 3.76Å; F337-M341 WeakPolarHBondContact O-CB 3.31Å; F337-M341 WeakPolarHBondContact O-CG 3.3Å; F337-M341 PolarHBondContact O-N 2.98Å |
| 338 | R | 52.7 | Low | 48.8 | Very low | 163 Ų | 163 | 98.9 Ų | 98.9 | 62% | 0.615 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.8 | -37.8 | 172.9 | -170.9 | -174.1 | -64.9 | 157.9 | 1.8 | 111.6 | L334 S335 M341 A342 | L334-R338 VanDerWaalsContact O-CB 3.25Å; L334-R338 WeakPolarHBondContact O-CB 3.12Å; L334-R338 PolarHBondContact O-N 3.39Å; S335-R338 PolarHBondContact O-N 3.4Å; R338-M341 PolarHBondContact O-N 3.31Å; R338-A342 WeakPolarHBondContact O-CB 3.24Å; R338-A342 PolarHBondContact O-N 3.42Å |
| 339 | A | 55.1 | Low | 48.7 | Very low | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S335 A336 F337 M341 A342 N343 | S335-A339 WeakPolarHBondContact O-CB 3.4Å; S335-A339 PolarHBondContact O-N 3.33Å; A336-A339 PolarHBondContact O-N 2.94Å; F337-A339 VanDerWaalsContact C-N 3.35Å; A339-M341 PolarHBondContact O-N 2.61Å; A339-A342 PolarHBondContact O-N 3.28Å; A339-N343 PolarHBondContact O-N 3.08Å |
| 340 | A | 50.9 | Low | 48.8 | Very low | 56 Ų | 56 | 91.3 Ų | 91.3 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A336 F337 N343 D344 | A336-A340 WeakPolarHBondContact O-CB 3.39Å; A336-A340 PolarHBondContact O-N 3.34Å; F337-A340 PolarHBondContact O-N 3.06Å; A340-N343 PolarHBondContact O-N 3.16Å; A340-D344 PolarHBondContact O-N 3.41Å |
| 341 | M | 46.5 | Very low | 48.7 | Very low | 74 Ų | 74 | 91.5 Ų | 91.5 | 37% | 0.365 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.1 | -22.3 | 177.8 | -79 | -167.5 | -66.3 | 0 | 0 | 114.8 | F337 R338 A339 D344 | F337-M341 HydrophobicContact CD1-CE 3.21Å; F337-M341 HydrophobicContact CD1-CG 4.36Å; F337-M341 HydrophobicContact CD1-SD 3.95Å; F337-M341 HydrophobicContact CE1-CE 3.23Å; F337-M341 HydrophobicContact CE1-CG 4Å; F337-M341 HydrophobicContact CE1-SD 3.34Å; F337-M341 WeakPolarHBondContact CE1-SD 3.49Å; F337-M341 HydrophobicContact CE2-CG 4.4Å; F337-M341 HydrophobicContact CG-CE 4.14Å; F337-M341 HydrophobicContact CZ-CE 4.17Å; F337-M341 HydrophobicContact CZ-CG 4.01Å; F337-M341 HydrophobicContact CZ-SD 3.76Å; F337-M341 WeakPolarHBondContact O-CB 3.31Å; F337-M341 WeakPolarHBondContact O-CG 3.3Å; F337-M341 PolarHBondContact O-N 2.98Å; R338-M341 PolarHBondContact O-N 3.31Å; A339-M341 PolarHBondContact O-N 2.61Å; M341-D344 VanDerWaalsContact O-O 3.1Å |
| 342 | A | 52.6 | Low | 48.7 | Very low | 79 Ų | 79 | 82.4 Ų | 82.4 | 65% | 0.653 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -78.6 | -28 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R338 A339 | R338-A342 WeakPolarHBondContact O-CB 3.24Å; R338-A342 PolarHBondContact O-N 3.42Å; A339-A342 PolarHBondContact O-N 3.28Å |
| 343 | N | 52.8 | Low | 48.6 | Very low | 142 Ų | 142 | 77.9 Ų | 77.9 | 76% | 0.759 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -78.6 | -30.9 | 178.1 | -84.5 | -2.4 | 0 | 0 | 0 | 113.2 | A339 A340 | A339-N343 PolarHBondContact O-N 3.08Å; A340-N343 PolarHBondContact O-N 3.16Å |
| 344 | D | 43.7 | Very low | 48 | Very low | 105 Ų | 105 | 78 Ų | 78 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -98.4 | 115.8 | 174.2 | -81.7 | -23.5 | 0 | 0 | 0 | 110.9 | A340 M341 L346 | A340-D344 PolarHBondContact O-N 3.41Å; M341-D344 VanDerWaalsContact O-O 3.1Å; D344-L346 HydrophobicContact CB-CD1 3.66Å; D344-L346 HydrophobicContact CB-CG 4.26Å; D344-L346 PolarHBondContact O-N 2.88Å |
| 345 | Q | 41 | Very low | 47.9 | Very low | 205 Ų | 205 | 77.8 Ų | 77.8 | 96% | 0.958 | 45% | 0.449 | S | S | * | . | trans | -67.4 | 61 | 171.7 | -74.6 | -169.1 | -18.5 | 0 | 0 | 112.3 | S347 | Q345-S347 PolarHBondContact O-N 3.21Š| ||
| 346 | L | 43.7 | Very low | 47.4 | Very low | 77 Ų | 77 | 78.6 Ų | 78.6 | 40% | 0.403 | 45% | 0.45 | S | S | . | . | trans | -78.3 | 106.2 | -179.9 | -96.2 | 148.2 | 0 | 0 | 0 | 110.3 | D344 I348 Q350 | D344-L346 HydrophobicContact CB-CD1 3.66Å; D344-L346 HydrophobicContact CB-CG 4.26Å; D344-L346 PolarHBondContact O-N 2.88Å; L346-I348 PolarHBondContact O-N 3.38Å; L346-Q350 HydrophobicContact CD2-CB 3.45Å; L346-Q350 VanDerWaalsContact CD2-CB 3.45Å; L346-Q350 HydrophobicContact CD2-CG 4.13Å | ||
| 347 | S | 45.4 | Very low | 47.1 | Very low | 45 Ų | 45 | 79.6 Ų | 79.6 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | trans | -50.7 | 131.3 | 170.6 | 160.1 | 0 | 0 | 0 | 0 | 110.8 | Q345 S349 Q350 | Q345-S347 PolarHBondContact O-N 3.21Å; S347-S349 PolarHBondContact O-N 2.71Å; S347-S349 PolarHBondContact OG-OG 3.27Å; S347-Q350 PolarHBondContact O-N 2.64Å | ||
| 348 | I | 47.4 | Very low | 46.8 | Very low | 66 Ų | 66 | 78 Ų | 78 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -39.7 | -35.6 | -179.2 | -66.3 | 171.5 | 0 | 0 | 0 | 112.9 | L346 Q350 L351 W352 | L346-I348 PolarHBondContact O-N 3.38Å; I348-Q350 PolarHBondContact O-N 3.43Å; I348-L351 WeakPolarHBondContact O-CB 3.47Å; I348-L351 PolarHBondContact O-N 3.35Å; I348-L351 VanDerWaalsContact O-N 3.14Å; I348-W352 VanDerWaalsContact O-CD1 3.22Å; I348-W352 PolarHBondContact O-N 3.4Å |
| 349 | S | 43.1 | Very low | 46.5 | Very low | 18 Ų | 18 | 72.7 Ų | 72.7 | 13% | 0.126 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.5 | -40.8 | 175.4 | 56.6 | 0 | 0 | 0 | 0 | 115.7 | K246 S347 L351 W352 | K246-S349 WeakPolarHBondContact CG-OG 3.21Å; S347-S349 PolarHBondContact O-N 2.71Å; S347-S349 PolarHBondContact OG-OG 3.27Å; S349-L351 PolarHBondContact O-N 3.35Å; S349-W352 PolarHBondContact O-N 2.88Å |
| 350 | Q | 47.1 | Very low | 45.9 | Very low | 66 Ų | 66 | 73.6 Ų | 73.6 | 31% | 0.308 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.9 | -28.4 | 176.5 | -67.2 | -158 | -42.6 | 0 | 0 | 111.4 | S245 L249 L346 S347 I348 W352 G354 | S245-Q350 PolarHBondContact OG-NE2 3.32Å; L249-Q350 HydrophobicContact CD1-CB 3.96Å; L249-Q350 HydrophobicContact CD1-CG 3.55Å; L346-Q350 HydrophobicContact CD2-CB 3.45Å; L346-Q350 VanDerWaalsContact CD2-CB 3.45Å; L346-Q350 HydrophobicContact CD2-CG 4.13Å; S347-Q350 PolarHBondContact O-N 2.64Å; I348-Q350 PolarHBondContact O-N 3.43Å; Q350-W352 PolarHBondContact O-N 3.39Å; Q350-G354 PolarHBondContact O-N 2.97Å; Q350-G354 VanDerWaalsContact O-N 3.12Å |
| 351 | L | 43.6 | Very low | 45.5 | Very low | 60 Ų | 60 | 74.9 Ų | 74.9 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -75.1 | -25.2 | -177 | -137.4 | 150.7 | 0 | 0 | 0 | 111.4 | Q314 I348 S349 | Q314-L351 HydrophobicContact CG-CD2 4.07Å; Q314-L351 WeakPolarHBondContact CG-O 3.04Å; Q314-L351 PolarHBondContact NE2-O 3.2Å; Q314-L351 VanDerWaalsContact NE2-O 3.12Å; I348-L351 WeakPolarHBondContact O-CB 3.47Å; I348-L351 PolarHBondContact O-N 3.35Å; I348-L351 VanDerWaalsContact O-N 3.14Å; S349-L351 PolarHBondContact O-N 3.35Å |
| 352 | W | 43.5 | Very low | 45.5 | Very low | 10 Ų | 10 | 74.9 Ų | 74.9 | 4% | 0.038 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -75.8 | -33.5 | -178.5 | -79.9 | 81.5 | 0 | 0 | 0 | 114.7 | L72 A78 M253 T312 Q314 I348 S349 Q350 | L72-W352 HydrophobicContact CD2-CZ2 4.45Å; A78-W352 HydrophobicContact CB-CH2 4.43Å; A78-W352 HydrophobicContact CB-CZ2 3.99Å; M253-W352 HydrophobicContact CE-CD2 3.85Å; M253-W352 HydrophobicContact CE-CE3 3.43Å; M253-W352 VanDerWaalsContact CE-CE3 3.43Å; M253-W352 HydrophobicContact CE-CH2 3.93Å; M253-W352 HydrophobicContact CE-CZ2 4.25Å; M253-W352 HydrophobicContact CE-CZ3 3.48Å; M253-W352 VanDerWaalsContact CE-CZ3 3.48Å; M253-W352 HydrophobicContact SD-CD2 4.22Å; M253-W352 HydrophobicContact SD-CE3 4.21Å; M253-W352 HydrophobicContact SD-CG 4.48Å; T312-W352 HydrophobicContact CG2-CD2 4.47Å; T312-W352 HydrophobicContact CG2-CE3 3.36Å; T312-W352 HydrophobicContact CG2-CZ3 3.58Å; Q314-W352 VanDerWaalsContact NE2-N 3.19Å; Q314-W352 VanDerWaalsContact OE1-NE1 3.1Å; I348-W352 VanDerWaalsContact O-CD1 3.22Å; I348-W352 PolarHBondContact O-N 3.4Å; S349-W352 PolarHBondContact O-N 2.88Å; Q350-W352 PolarHBondContact O-N 3.39Å |
| 353 | F | 46.5 | Very low | 44.9 | Very low | 29 Ų | 29 | 74.6 Ų | 74.6 | 13% | 0.127 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -139 | 2.7 | -169.5 | -56.5 | -84.9 | 0 | 0 | 0 | 116.2 | L249 K252 M253 | L249-F353 HydrophobicContact CB-CD2 4.46Å; L249-F353 HydrophobicContact CD2-CB 3.55Å; L249-F353 WeakPolarHBondContact O-CD2 3.28Å; K252-F353 HydrophobicContact CB-CD1 4.2Å; K252-F353 HydrophobicContact CB-CG 4.18Å; K252-F353 HydrophobicContact CD-CB 4.32Å; M253-F353 HydrophobicContact CB-CD2 4.25Å; M253-F353 HydrophobicContact CB-CE1 4.49Å; M253-F353 HydrophobicContact CB-CE2 3.23Å; M253-F353 HydrophobicContact CB-CZ 3.4Å; M253-F353 HydrophobicContact CG-CE2 3.58Å; M253-F353 HydrophobicContact CG-CZ 3.51Å; M253-F353 HydrophobicContact SD-CE2 3.83Å; M253-F353 HydrophobicContact SD-CZ 4.19Å |
| 354 | G | 40.8 | Very low | 44.1 | Very low | 72 Ų | 72 | 68.5 Ų | 68.5 | 74% | 0.742 | 39% | 0.385 | S | S | * | . | trans | -83.8 | 0 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K313 Q350 | K313-G354 WeakPolarHBondContact CD-OXT 3.1Å; K313-G354 WeakPolarHBondContact CE-OXT 3.48Å; K313-G354 PolarHBondContact NZ-O 3.49Å; K313-G354 PolarHBondContact NZ-OXT 2.92Å; Q350-G354 PolarHBondContact O-N 2.97Å; Q350-G354 VanDerWaalsContact O-N 3.12Å |
Retrieved 354 of 354 residues in 232.2 ms
(Link to these results)