| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.4 | Very low | 37.5 | Very low | 243 Ų | 243 | 158 Ų | 158 | 100% | 1.197 | 78% | 0.775 | S | S | * | * | 0 | 67.8 | 0 | -172.7 | 172.6 | -179.7 | 0 | 0 | 108.5 | |||||
| 2 | Q | 42.5 | Very low | 37.1 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -150.7 | 9 | -155.9 | -134.9 | 161.7 | -15.3 | 0 | 0 | 113.4 | ||||
| 3 | L | 40.7 | Very low | 36.6 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -107.2 | 6.7 | -169.3 | -81.6 | 159.7 | 0 | 0 | 0 | 114 | ||
| 4 | N | 39.3 | Very low | 36.2 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -112.6 | 5.3 | -175.1 | -106.4 | 8.9 | 0 | 0 | 0 | 114.6 | ||
| 5 | M | 40.7 | Very low | 35.9 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -95.8 | -26.9 | 175.2 | -68.4 | -149.1 | -75 | 0 | 0 | 113.6 | Y7 | M5-Y7 VanDerWaalsContact C-N 3.33Å; M5-Y7 PolarHBondContact O-N 3.12Å |
| 6 | D | 38.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -73.2 | -23.7 | -179.3 | -60.7 | -38.4 | 0 | 0 | 0 | 113.5 | N8 F9 | D6-N8 VanDerWaalsContact C-N 3.31Å; D6-N8 PolarHBondContact O-N 3.09Å; D6-F9 PolarHBondContact O-N 3.46Å |
| 7 | Y | 33.3 | Very low | 35.4 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 73% | 0.725 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -70 | -25.7 | -178.5 | -161.1 | -101.8 | 0 | 0 | 0 | 113.4 | M5 | M5-Y7 VanDerWaalsContact C-N 3.33Å; M5-Y7 PolarHBondContact O-N 3.12Å |
| 8 | N | 32.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -90.5 | -16.5 | 179.8 | -77.4 | -24.2 | 0 | 0 | 0 | 113.8 | D6 | D6-N8 VanDerWaalsContact C-N 3.31Å; D6-N8 PolarHBondContact O-N 3.09Å |
| 9 | F | 34.4 | Very low | 35.9 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 79% | 0.789 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -82.2 | -15.5 | 175.1 | -130.1 | -90 | 0 | 0 | 0 | 113.3 | D6 K11 | D6-F9 PolarHBondContact O-N 3.46Å; F9-K11 VanDerWaalsContact C-N 3.34Å |
| 10 | S | 34.9 | Very low | 36.5 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 57% | 0.566 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -10.9 | 175.2 | -169.2 | 0 | 0 | 0 | 0 | 113.6 | N13 | S10-N13 PolarHBondContact O-ND2 3.38Š|
| 11 | K | 33.2 | Very low | 37.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -99.4 | 1.5 | -172.7 | -141.4 | 175.7 | -176.8 | -179.3 | 0 | 115 | F9 N13 | F9-K11 VanDerWaalsContact C-N 3.34Å; K11-N13 PolarHBondContact O-N 3.42Å | ||
| 12 | S | 33.1 | Very low | 37.7 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 66% | 0.657 | 68% | 0.68 | S | S | * | * | trans | -78.6 | 16.1 | 164.3 | 67.3 | 0 | 0 | 0 | 0 | 113.2 | E14 | S12-E14 PolarHBondContact O-N 3Š| ||
| 13 | N | 29.5 | Very low | 38.3 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 66% | 0.661 | S | S | * | * | trans | -73.2 | 44.8 | 162.8 | -83.9 | -38.7 | 0 | 0 | 0 | 111.2 | S10 K11 T15 | S10-N13 PolarHBondContact O-ND2 3.38Å; K11-N13 PolarHBondContact O-N 3.42Å; N13-T15 VanDerWaalsContact C-N 3.3Å; N13-T15 PolarHBondContact O-N 2.95Å | ||
| 14 | E | 32.1 | Very low | 39.3 | Very low | 165 Ų | 165 | 117.4 Ų | 117.4 | 77% | 0.771 | 63% | 0.629 | S | S | * | * | trans | -71.6 | 91.7 | 169.5 | -73.4 | -169 | 149 | 0 | 0 | 108.8 | S12 V16 | S12-E14 PolarHBondContact O-N 3Å; E14-V16 PolarHBondContact O-N 3.17Å | ||
| 15 | T | 31.9 | Very low | 40.6 | Very low | 126 Ų | 126 | 116.2 Ų | 116.2 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | 37.7 | 82.7 | 146.1 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | N13 S17 | N13-T15 VanDerWaalsContact C-N 3.3Å; N13-T15 PolarHBondContact O-N 2.95Å; T15-S17 PolarHBondContact O-N 3.26Å | ||
| 16 | V | 33.3 | Very low | 42 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | trans | -63.3 | 102 | 166.7 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | E14 F18 | E14-V16 PolarHBondContact O-N 3.17Å; V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 HydrophobicContact CB-CD2 3.92Å; V16-F18 HydrophobicContact CB-CE2 4.32Å; V16-F18 HydrophobicContact CG1-CD2 3.35Å; V16-F18 HydrophobicContact CG1-CE2 3.53Å; V16-F18 HydrophobicContact CG1-CG 4.26Å; V16-F18 PolarHBondContact O-N 3.45Å | ||
| 17 | S | 29.3 | Very low | 43.4 | Very low | 101 Ų | 101 | 108.5 Ų | 108.5 | 71% | 0.706 | 58% | 0.579 | S | S | * | * | trans | -67 | 88.6 | 175 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | T15 P19 | T15-S17 PolarHBondContact O-N 3.26Å; S17-P19 WeakPolarHBondContact O-CD 3.24Å | ||
| 18 | F | 35.7 | Very low | 45.1 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 70% | 0.702 | 56% | 0.556 | S | S | * | * | trans | -88.8 | 12.4 | -173.9 | -115 | -65.7 | 0 | 0 | 0 | 118.5 | V16 | V16-F18 VanDerWaalsContact C-N 3.31Å; V16-F18 HydrophobicContact CB-CD2 3.92Å; V16-F18 HydrophobicContact CB-CE2 4.32Å; V16-F18 HydrophobicContact CG1-CD2 3.35Å; V16-F18 HydrophobicContact CG1-CE2 3.53Å; V16-F18 HydrophobicContact CG1-CG 4.26Å; V16-F18 PolarHBondContact O-N 3.45Å | ||
| 19 | P | 44.9 | Very low | 47.1 | Very low | 84 Ų | 84 | 99.8 Ų | 99.8 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -86 | -34.4 | -177.4 | 33.3 | -32.3 | 0 | 0 | 0 | 114.9 | S17 M23 | S17-P19 WeakPolarHBondContact O-CD 3.24Å; P19-M23 WeakPolarHBondContact O-CG 3.5Å; P19-M23 PolarHBondContact O-N 3.4Å |
| 20 | E | 48.1 | Very low | 49.2 | Very low | 126 Ų | 126 | 93.1 Ų | 93.1 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -76.1 | -48.1 | -166.5 | -74.1 | 159.1 | -166.9 | 0 | 0 | 113.4 | A22 M23 S24 | E20-A22 PolarHBondContact O-N 2.84Å; E20-M23 WeakPolarHBondContact O-CB 3.4Å; E20-M23 PolarHBondContact O-N 3.39Å; E20-M23 VanDerWaalsContact O-N 3.12Å; E20-S24 PolarHBondContact O-N 2.84Å |
| 21 | G | 51 | Low | 51.2 | Low | 33 Ų | 33 | 89.6 Ų | 89.6 | 34% | 0.34 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -18.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S24 M25 | G21-S24 PolarHBondContact O-OG 3.17Å; G21-S24 VanDerWaalsContact O-OG 3.1Å; G21-M25 WeakPolarHBondContact O-CE 3.29Å; G21-M25 WeakPolarHBondContact O-CG 3.26Å; G21-M25 PolarHBondContact O-N 3.38Å |
| 22 | A | 52.1 | Low | 53.4 | Low | 49 Ų | 49 | 84.7 Ų | 84.7 | 41% | 0.405 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -73.2 | -38.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E20 L26 | E20-A22 PolarHBondContact O-N 2.84Å; A22-L26 PolarHBondContact O-N 2.92Å |
| 23 | M | 55.5 | Low | 55.7 | Low | 88 Ų | 88 | 84.8 Ų | 84.8 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 178.5 | -69.1 | -67.7 | -81.9 | 0 | 0 | 111.5 | P19 E20 M25 L26 Y27 | P19-M23 WeakPolarHBondContact O-CG 3.5Å; P19-M23 PolarHBondContact O-N 3.4Å; E20-M23 WeakPolarHBondContact O-CB 3.4Å; E20-M23 PolarHBondContact O-N 3.39Å; E20-M23 VanDerWaalsContact O-N 3.12Å; M23-M25 VanDerWaalsContact C-N 3.32Å; M23-M25 PolarHBondContact O-N 2.82Å; M23-L26 WeakPolarHBondContact O-CB 3.41Å; M23-L26 PolarHBondContact O-N 3.3Å; M23-L26 VanDerWaalsContact O-N 3.1Å; M23-L26 HydrophobicContact SD-CD2 4.36Å; M23-Y27 HydrophobicContact CB-CE2 4Å; M23-Y27 HydrophobicContact CE-CE2 4.07Å; M23-Y27 WeakPolarHBondContact CE-OH 3.25Å; M23-Y27 WeakPolarHBondContact O-CD2 3.36Å; M23-Y27 WeakPolarHBondContact O-CE2 3.4Å; M23-Y27 PolarHBondContact O-N 3.35Å |
| 24 | S | 61.7 | Low | 58.2 | Low | 21 Ų | 21 | 79.1 Ų | 79.1 | 15% | 0.147 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.6 | 68.7 | 0 | 0 | 0 | 0 | 112.6 | E20 G21 Y27 A28 E112 | E20-S24 PolarHBondContact O-N 2.84Å; G21-S24 PolarHBondContact O-OG 3.17Å; G21-S24 VanDerWaalsContact O-OG 3.1Å; S24-Y27 PolarHBondContact O-N 3.34Å; S24-A28 PolarHBondContact O-N 3.44Å; S24-E112 VanDerWaalsContact CB-CG 3.49Å; S24-E112 WeakPolarHBondContact CB-OE1 3.21Å; S24-E112 PolarHBondContact OG-OE1 2.82Å |
| 25 | M | 66.7 | Low | 60.5 | Low | 120 Ų | 120 | 72.2 Ų | 72.2 | 59% | 0.591 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 173 | -76.3 | -164 | -75.1 | 0 | 0 | 112.4 | G21 M23 Y27 A28 I29 | G21-M25 WeakPolarHBondContact O-CE 3.29Å; G21-M25 WeakPolarHBondContact O-CG 3.26Å; G21-M25 PolarHBondContact O-N 3.38Å; M23-M25 VanDerWaalsContact C-N 3.32Å; M23-M25 PolarHBondContact O-N 2.82Å; M25-Y27 VanDerWaalsContact C-N 3.32Å; M25-Y27 PolarHBondContact O-N 3.36Å; M25-A28 PolarHBondContact O-N 3.07Å; M25-I29 WeakPolarHBondContact O-CB 3.4Å; M25-I29 WeakPolarHBondContact O-CD1 3.41Å; M25-I29 WeakPolarHBondContact O-CG1 3.4Å; M25-I29 PolarHBondContact O-N 3.05Å |
| 26 | L | 69.7 | Low | 62.9 | Low | 85 Ų | 85 | 70.4 Ų | 70.4 | 45% | 0.445 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.9 | -177.1 | 67.3 | 0 | 0 | 0 | 111.9 | A22 M23 I29 L30 | A22-L26 PolarHBondContact O-N 2.92Å; M23-L26 WeakPolarHBondContact O-CB 3.41Å; M23-L26 PolarHBondContact O-N 3.3Å; M23-L26 VanDerWaalsContact O-N 3.1Å; M23-L26 HydrophobicContact SD-CD2 4.36Å; L26-I29 PolarHBondContact O-N 3.31Å; L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.3Å |
| 27 | Y | 68.8 | Low | 65.3 | Low | 38 Ų | 38 | 70.3 Ų | 70.3 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -73.9 | -36.3 | 179.9 | -58.5 | -57.3 | 0 | 0 | 0 | 113.1 | M23 S24 M25 I29 L30 L31 N120 | M23-Y27 HydrophobicContact CB-CE2 4Å; M23-Y27 HydrophobicContact CE-CE2 4.07Å; M23-Y27 WeakPolarHBondContact CE-OH 3.25Å; M23-Y27 WeakPolarHBondContact O-CD2 3.36Å; M23-Y27 WeakPolarHBondContact O-CE2 3.4Å; M23-Y27 PolarHBondContact O-N 3.35Å; S24-Y27 PolarHBondContact O-N 3.34Å; M25-Y27 VanDerWaalsContact C-N 3.32Å; M25-Y27 PolarHBondContact O-N 3.36Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.48Å; Y27-L30 HydrophobicContact CD1-CD1 3.87Å; Y27-L30 HydrophobicContact CE1-CD1 4.37Å; Y27-L30 WeakPolarHBondContact O-CB 3.46Å; Y27-L30 PolarHBondContact O-N 3.12Å; Y27-L31 PolarHBondContact O-N 3.31Å; Y27-N120 VanDerWaalsContact CD1-OD1 3.29Å; Y27-N120 WeakPolarHBondContact CD1-OD1 3.5Å; Y27-N120 WeakPolarHBondContact CE1-ND2 3.26Å; Y27-N120 WeakPolarHBondContact CE1-OD1 3.2Å; Y27-N120 PolarHBondContact OH-ND2 3.49Å |
| 28 | A | 68.5 | Low | 67.7 | Low | 30 Ų | 30 | 66 Ų | 66 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S24 M25 L31 I32 | S24-A28 PolarHBondContact O-N 3.44Å; M25-A28 PolarHBondContact O-N 3.07Å; A28-L31 PolarHBondContact O-N 3.12Å; A28-I32 WeakPolarHBondContact O-CD1 3.27Å; A28-I32 VanDerWaalsContact O-CG1 3.24Å; A28-I32 WeakPolarHBondContact O-CG1 3.45Å; A28-I32 PolarHBondContact O-N 3.42Å |
| 29 | I | 75 | Confident | 69.9 | Low | 94 Ų | 94 | 60.1 Ų | 60.1 | 48% | 0.482 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 172.5 | -70.3 | 162.9 | 0 | 0 | 0 | 110.5 | M25 L26 Y27 L31 I32 L33 | M25-I29 WeakPolarHBondContact O-CB 3.4Å; M25-I29 WeakPolarHBondContact O-CD1 3.41Å; M25-I29 WeakPolarHBondContact O-CG1 3.4Å; M25-I29 PolarHBondContact O-N 3.05Å; L26-I29 PolarHBondContact O-N 3.31Å; Y27-I29 VanDerWaalsContact C-N 3.32Å; Y27-I29 PolarHBondContact O-N 3.48Å; I29-L31 PolarHBondContact O-N 3.09Å; I29-I32 PolarHBondContact O-N 3.21Å; I29-L33 HydrophobicContact CG2-CD1 3.99Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 2.94Å |
| 30 | L | 77.8 | Confident | 71.7 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 177.1 | -76.3 | 167.7 | 0 | 0 | 0 | 112.9 | L26 Y27 L33 L34 K123 | L26-L30 HydrophobicContact CG-CD1 4.35Å; L26-L30 WeakPolarHBondContact O-CG 3.45Å; L26-L30 PolarHBondContact O-N 3.3Å; Y27-L30 HydrophobicContact CD1-CD1 3.87Å; Y27-L30 HydrophobicContact CE1-CD1 4.37Å; Y27-L30 WeakPolarHBondContact O-CB 3.46Å; Y27-L30 PolarHBondContact O-N 3.12Å; L30-L33 HydrophobicContact CD2-CD1 4.45Å; L30-L33 PolarHBondContact O-N 3.24Å; L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 PolarHBondContact O-N 3.12Å; L30-K123 HydrophobicContact CB-CD 4.45Å; L30-K123 HydrophobicContact CD1-CD 4.21Å; L30-K123 HydrophobicContact CD2-CD 4.41Å |
| 31 | L | 77.9 | Confident | 73.3 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 174.8 | -177.6 | 58.6 | 0 | 0 | 0 | 111.9 | Y27 A28 I29 L34 I35 L94 L98 E101 Q119 | Y27-L31 PolarHBondContact O-N 3.31Å; A28-L31 PolarHBondContact O-N 3.12Å; I29-L31 PolarHBondContact O-N 3.09Å; L31-L34 HydrophobicContact CD1-CD2 4.05Å; L31-L34 WeakPolarHBondContact O-CB 3.46Å; L31-L34 PolarHBondContact O-N 2.98Å; L31-I35 HydrophobicContact CG-CD1 4.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 3.05Å; L31-L94 HydrophobicContact CD1-CD2 4.38Å; L31-L98 HydrophobicContact CD2-CB 4.11Å; L31-L98 HydrophobicContact CD2-CD1 3.79Å; L31-L98 HydrophobicContact CG-CD1 4.3Å; L31-E101 WeakPolarHBondContact CD2-OE2 3.44Å; L31-Q119 HydrophobicContact CD2-CG 4.28Å |
| 32 | I | 78.5 | Confident | 74.8 | Confident | 60 Ų | 60 | 53.3 Ų | 53.3 | 31% | 0.308 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 171.6 | -68.6 | 162.9 | 0 | 0 | 0 | 110.6 | A28 I29 L34 I35 L36 | A28-I32 WeakPolarHBondContact O-CD1 3.27Å; A28-I32 VanDerWaalsContact O-CG1 3.24Å; A28-I32 WeakPolarHBondContact O-CG1 3.45Å; A28-I32 PolarHBondContact O-N 3.42Å; I29-I32 PolarHBondContact O-N 3.21Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.31Å; I32-I35 PolarHBondContact O-N 2.94Å; I32-L36 HydrophobicContact CG2-CD1 4.02Å; I32-L36 HydrophobicContact CG2-CG 4.38Å; I32-L36 WeakPolarHBondContact O-CG 2.78Å; I32-L36 PolarHBondContact O-N 3.45Å |
| 33 | L | 81.7 | Confident | 76.3 | Confident | 96 Ų | 96 | 55 Ų | 55 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -38.4 | 174.5 | -73.2 | 168.9 | 0 | 0 | 0 | 111.8 | I29 L30 L36 L37 | I29-L33 HydrophobicContact CG2-CD1 3.99Å; I29-L33 HydrophobicContact CG2-CG 4.39Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 2.94Å; L30-L33 HydrophobicContact CD2-CD1 4.45Å; L30-L33 PolarHBondContact O-N 3.24Å; L33-L36 PolarHBondContact O-N 3.3Å; L33-L37 WeakPolarHBondContact O-CB 3.26Å; L33-L37 PolarHBondContact O-N 2.99Å |
| 34 | L | 82 | Confident | 77.6 | Confident | 20 Ų | 20 | 58 Ų | 58 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -45.9 | 174.3 | -164.8 | 62 | 0 | 0 | 0 | 111 | L30 L31 I32 L37 N38 I126 | L30-L34 WeakPolarHBondContact O-CB 3.34Å; L30-L34 PolarHBondContact O-N 3.12Å; L31-L34 HydrophobicContact CD1-CD2 4.05Å; L31-L34 WeakPolarHBondContact O-CB 3.46Å; L31-L34 PolarHBondContact O-N 2.98Å; I32-L34 VanDerWaalsContact C-N 3.28Å; I32-L34 PolarHBondContact O-N 3.31Å; L34-L37 PolarHBondContact O-N 3.47Å; L34-N38 PolarHBondContact O-N 3.25Å; L34-N38 PolarHBondContact O-ND2 3.08Å; L34-I126 HydrophobicContact CD1-CD1 3.59Å; L34-I126 HydrophobicContact CD1-CG2 4.37Å; L34-I126 HydrophobicContact CD2-CD1 3.86Å; L34-I126 HydrophobicContact CG-CD1 3.7Å |
| 35 | I | 80.9 | Confident | 78.7 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 176.3 | -70.4 | 166 | 0 | 0 | 0 | 111.2 | L31 I32 N38 F39 F91 L94 L98 | L31-I35 HydrophobicContact CG-CD1 4.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.32Å; L31-I35 PolarHBondContact O-N 3.05Å; I32-I35 PolarHBondContact O-N 2.94Å; I35-N38 PolarHBondContact O-N 3.15Å; I35-F39 WeakPolarHBondContact O-CB 3.47Å; I35-F39 PolarHBondContact O-N 3.17Å; I35-F91 HydrophobicContact CG2-CD2 4.28Å; I35-F91 HydrophobicContact CG2-CE2 3.55Å; I35-F91 HydrophobicContact CG2-CZ 4.21Å; I35-L94 HydrophobicContact CG1-CB 4.33Å; I35-L98 HydrophobicContact CD1-CB 4.22Å; I35-L98 HydrophobicContact CD1-CD2 3.65Å; I35-L98 HydrophobicContact CD1-CG 4.46Å |
| 36 | L | 82 | Confident | 79.5 | Confident | 88 Ų | 88 | 56.6 Ų | 56.6 | 46% | 0.461 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 175 | -70.1 | 172.5 | 0 | 0 | 0 | 112.6 | I32 L33 F39 S40 | I32-L36 HydrophobicContact CG2-CD1 4.02Å; I32-L36 HydrophobicContact CG2-CG 4.38Å; I32-L36 WeakPolarHBondContact O-CG 2.78Å; I32-L36 PolarHBondContact O-N 3.45Å; L33-L36 PolarHBondContact O-N 3.3Å; L36-F39 PolarHBondContact O-N 3.25Å; L36-S40 VanDerWaalsContact O-CB 3.31Å; L36-S40 WeakPolarHBondContact O-CB 3.43Å; L36-S40 PolarHBondContact O-N 2.99Å; L36-S40 PolarHBondContact O-OG 2.89Å |
| 37 | L | 82.7 | Confident | 80.2 | Confident | 117 Ų | 117 | 56.2 Ų | 56.2 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -44.8 | 173.4 | -180 | 63.8 | 0 | 0 | 0 | 111 | L33 L34 S40 C41 | L33-L37 WeakPolarHBondContact O-CB 3.26Å; L33-L37 PolarHBondContact O-N 2.99Å; L34-L37 PolarHBondContact O-N 3.47Å; L37-S40 PolarHBondContact O-N 3.45Å; L37-C41 VanDerWaalsContact O-CB 3.29Å; L37-C41 WeakPolarHBondContact O-CB 3.37Å; L37-C41 PolarHBondContact O-N 3.38Å |
| 38 | N | 80.1 | Confident | 81 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.4 | -77.2 | -77 | 0 | 0 | 0 | 111.4 | L34 I35 C41 Q42 Y130 | L34-N38 PolarHBondContact O-N 3.25Å; L34-N38 PolarHBondContact O-ND2 3.08Å; I35-N38 PolarHBondContact O-N 3.15Å; N38-C41 WeakPolarHBondContact O-CB 3.44Å; N38-C41 PolarHBondContact O-N 2.94Å; N38-Q42 WeakPolarHBondContact O-CB 3.41Å; N38-Q42 PolarHBondContact O-N 3.08Å; N38-Y130 PolarHBondContact OD1-OH 3.48Å |
| 39 | F | 82.8 | Confident | 81.8 | Confident | 37 Ų | 37 | 55.1 Ų | 55.1 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.5 | 171.4 | -114.6 | 0 | 0 | 0 | 112.6 | I35 L36 C41 Q42 F43 P250 I253 Q254 | I35-F39 WeakPolarHBondContact O-CB 3.47Å; I35-F39 PolarHBondContact O-N 3.17Å; L36-F39 PolarHBondContact O-N 3.25Å; F39-C41 VanDerWaalsContact C-N 3.27Å; F39-C41 PolarHBondContact O-N 2.9Å; F39-Q42 PolarHBondContact O-N 3.3Å; F39-F43 WeakPolarHBondContact O-CB 3.35Å; F39-F43 PolarHBondContact O-N 2.85Å; F39-P250 HydrophobicContact CE2-CB 3.99Å; F39-I253 HydrophobicContact CB-CD1 4.31Å; F39-I253 HydrophobicContact CD1-CG2 4.28Å; F39-I253 HydrophobicContact CD2-CB 4.23Å; F39-I253 HydrophobicContact CD2-CD1 3.34Å; F39-I253 HydrophobicContact CD2-CG1 4.38Å; F39-I253 HydrophobicContact CD2-CG2 4Å; F39-I253 HydrophobicContact CE1-CG2 4.19Å; F39-I253 HydrophobicContact CE2-CB 4.01Å; F39-I253 HydrophobicContact CE2-CD1 3.89Å; F39-I253 HydrophobicContact CE2-CG2 3.89Å; F39-I253 HydrophobicContact CG-CD1 4.03Å; F39-I253 HydrophobicContact CG-CG2 4.18Å; F39-I253 HydrophobicContact CZ-CB 4.47Å; F39-I253 HydrophobicContact CZ-CG2 3.98Å; F39-Q254 HydrophobicContact CZ-CG 4.13Å |
| 40 | S | 81.8 | Confident | 82.3 | Confident | 57 Ų | 57 | 54 Ų | 54 | 40% | 0.399 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -35.4 | 177.1 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | L36 L37 K44 | L36-S40 VanDerWaalsContact O-CB 3.31Å; L36-S40 WeakPolarHBondContact O-CB 3.43Å; L36-S40 PolarHBondContact O-N 2.99Å; L36-S40 PolarHBondContact O-OG 2.89Å; L37-S40 PolarHBondContact O-N 3.45Å; S40-K44 VanDerWaalsContact O-CG 3.32Å; S40-K44 WeakPolarHBondContact O-CG 3.26Å; S40-K44 PolarHBondContact O-N 2.99Å |
| 41 | C | 82.4 | Confident | 82.8 | Confident | 42 Ų | 42 | 55.5 Ų | 55.5 | 28% | 0.284 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.9 | -54.6 | 171.8 | -167.3 | 0 | 0 | 0 | 0 | 110.5 | L37 N38 F39 F43 K44 F45 | L37-C41 VanDerWaalsContact O-CB 3.29Å; L37-C41 WeakPolarHBondContact O-CB 3.37Å; L37-C41 PolarHBondContact O-N 3.38Å; N38-C41 WeakPolarHBondContact O-CB 3.44Å; N38-C41 PolarHBondContact O-N 2.94Å; F39-C41 VanDerWaalsContact C-N 3.27Å; F39-C41 PolarHBondContact O-N 2.9Å; C41-F43 VanDerWaalsContact C-N 3.3Å; C41-F43 PolarHBondContact O-N 2.77Å; C41-K44 PolarHBondContact O-N 3.06Å; C41-K44 VanDerWaalsContact O-N 3.13Å; C41-F45 WeakPolarHBondContact O-CD2 3.38Å; C41-F45 PolarHBondContact O-N 2.79Å; C41-F45 VanDerWaalsContact SG-CE2 3.55Å |
| 42 | Q | 82.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -52.9 | -46.2 | 177.7 | -165.5 | -177.2 | 23.2 | 0 | 0 | 111.7 | N38 F39 K44 F45 F46 L84 I87 T88 | N38-Q42 WeakPolarHBondContact O-CB 3.41Å; N38-Q42 PolarHBondContact O-N 3.08Å; F39-Q42 PolarHBondContact O-N 3.3Å; Q42-K44 PolarHBondContact O-N 3.39Å; Q42-F45 PolarHBondContact O-N 3.32Å; Q42-F46 WeakPolarHBondContact O-CB 3.31Å; Q42-F46 PolarHBondContact O-N 3.05Å; Q42-L84 HydrophobicContact CG-CD2 3.92Å; Q42-L84 WeakPolarHBondContact O-CD2 3.29Å; Q42-I87 HydrophobicContact CB-CG2 3.81Å; Q42-I87 HydrophobicContact CG-CG2 4.14Å; Q42-T88 PolarHBondContact NE2-OG1 2.86Å |
| 43 | F | 82.5 | Confident | 83.5 | Confident | 84 Ų | 84 | 57.6 Ų | 57.6 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | -180 | -170.8 | -108.6 | 0 | 0 | 0 | 112.7 | F39 C41 F46 I47 | F39-F43 WeakPolarHBondContact O-CB 3.35Å; F39-F43 PolarHBondContact O-N 2.85Å; C41-F43 VanDerWaalsContact C-N 3.3Å; C41-F43 PolarHBondContact O-N 2.77Å; F43-F46 PolarHBondContact O-N 3.49Å; F43-I47 HydrophobicContact CD1-CD1 3.87Å; F43-I47 HydrophobicContact CE1-CD1 3.45Å; F43-I47 VanDerWaalsContact CE1-CD1 3.45Å; F43-I47 HydrophobicContact CE1-CG1 4.5Å; F43-I47 HydrophobicContact CE2-CD1 4.46Å; F43-I47 HydrophobicContact CZ-CD1 3.79Å; F43-I47 WeakPolarHBondContact O-CG1 3.11Å; F43-I47 PolarHBondContact O-N 2.85Å |
| 44 | K | 83.9 | Confident | 83.8 | Confident | 152 Ų | 152 | 57.6 Ų | 57.6 | 66% | 0.661 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 174.6 | -73.3 | 174.9 | -179.1 | -174.9 | 0 | 112 | S40 C41 Q42 F46 I47 G48 | S40-K44 VanDerWaalsContact O-CG 3.32Å; S40-K44 WeakPolarHBondContact O-CG 3.26Å; S40-K44 PolarHBondContact O-N 2.99Å; C41-K44 PolarHBondContact O-N 3.06Å; C41-K44 VanDerWaalsContact O-N 3.13Å; Q42-K44 PolarHBondContact O-N 3.39Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 3.46Å; K44-I47 PolarHBondContact O-N 3.4Å; K44-G48 PolarHBondContact O-N 3.25Å |
| 45 | F | 83.7 | Confident | 84 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 33% | 0.329 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.1 | -33.1 | 176.3 | -85.4 | -79.5 | 0 | 0 | 0 | 112.1 | C41 Q42 G48 F49 T80 T83 L84 I87 | C41-F45 WeakPolarHBondContact O-CD2 3.38Å; C41-F45 PolarHBondContact O-N 2.79Å; C41-F45 VanDerWaalsContact SG-CE2 3.55Å; Q42-F45 PolarHBondContact O-N 3.32Å; F45-G48 PolarHBondContact O-N 3.29Å; F45-F49 WeakPolarHBondContact O-CB 3.12Å; F45-F49 PolarHBondContact O-N 2.74Å; F45-T80 HydrophobicContact CD1-CG2 4.38Å; F45-T83 HydrophobicContact CD1-CG2 3.96Å; F45-T83 HydrophobicContact CD2-CG2 4.44Å; F45-T83 HydrophobicContact CE1-CG2 3.77Å; F45-T83 HydrophobicContact CE2-CG2 4.28Å; F45-T83 HydrophobicContact CG-CG2 4.3Å; F45-T83 HydrophobicContact CZ-CG2 3.94Å; F45-L84 HydrophobicContact CB-CD2 3.59Å; F45-L84 HydrophobicContact CB-CG 3.92Å; F45-I87 HydrophobicContact CD2-CD1 4.01Å; F45-I87 HydrophobicContact CE2-CD1 4.47Å |
| 46 | F | 84 | Confident | 84.1 | Confident | 36 Ų | 36 | 60.1 Ų | 60.1 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 179 | -175.4 | -109.4 | 0 | 0 | 0 | 112.2 | Q42 F43 K44 G48 F49 I50 L84 I246 L247 | Q42-F46 WeakPolarHBondContact O-CB 3.31Å; Q42-F46 PolarHBondContact O-N 3.05Å; F43-F46 PolarHBondContact O-N 3.49Å; K44-F46 VanDerWaalsContact C-N 3.27Å; K44-F46 PolarHBondContact O-N 3.46Å; F46-G48 VanDerWaalsContact C-N 3.35Å; F46-F49 PolarHBondContact O-N 3.14Å; F46-I50 HydrophobicContact CD1-CD1 4Å; F46-I50 HydrophobicContact CE1-CD1 3.47Å; F46-I50 VanDerWaalsContact CE1-CD1 3.47Å; F46-I50 HydrophobicContact CE1-CG1 4.46Å; F46-I50 HydrophobicContact CE2-CD1 4.41Å; F46-I50 HydrophobicContact CZ-CD1 3.7Å; F46-I50 HydrophobicContact CZ-CG1 4.36Å; F46-I50 WeakPolarHBondContact O-CG1 3.14Å; F46-I50 PolarHBondContact O-N 3.08Å; F46-L84 HydrophobicContact CB-CD1 4.44Å; F46-L84 HydrophobicContact CB-CD2 4.1Å; F46-L84 HydrophobicContact CD2-CD1 4.29Å; F46-I246 HydrophobicContact CD2-CG2 4.11Å; F46-I246 HydrophobicContact CE2-CG2 4.35Å; F46-L247 HydrophobicContact CE2-CD2 3.63Å; F46-L247 HydrophobicContact CZ-CD2 3.57Å |
| 47 | I | 85 | Confident | 84.3 | Confident | 78 Ų | 78 | 61 Ų | 61 | 40% | 0.4 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 169.4 | -68.9 | 168.4 | 0 | 0 | 0 | 110.1 | F43 K44 F49 I50 C51 | F43-I47 HydrophobicContact CD1-CD1 3.87Å; F43-I47 HydrophobicContact CE1-CD1 3.45Å; F43-I47 VanDerWaalsContact CE1-CD1 3.45Å; F43-I47 HydrophobicContact CE1-CG1 4.5Å; F43-I47 HydrophobicContact CE2-CD1 4.46Å; F43-I47 HydrophobicContact CZ-CD1 3.79Å; F43-I47 WeakPolarHBondContact O-CG1 3.11Å; F43-I47 PolarHBondContact O-N 2.85Å; K44-I47 PolarHBondContact O-N 3.4Å; I47-F49 VanDerWaalsContact C-N 3.33Å; I47-F49 PolarHBondContact O-N 3.48Å; I47-I50 PolarHBondContact O-N 3.46Å; I47-C51 PolarHBondContact O-N 2.83Å; I47-C51 PolarHBondContact O-SG 2.98Å |
| 48 | G | 86.1 | Confident | 84.4 | Confident | 27 Ų | 27 | 58.5 Ų | 58.5 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | K44 F45 F46 C51 L52 | K44-G48 PolarHBondContact O-N 3.25Å; F45-G48 PolarHBondContact O-N 3.29Å; F46-G48 VanDerWaalsContact C-N 3.35Å; G48-C51 PolarHBondContact O-N 2.85Å; G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 VanDerWaalsContact O-CG 3.31Å; G48-L52 WeakPolarHBondContact O-CG 3.38Å; G48-L52 PolarHBondContact O-N 2.96Å |
| 49 | F | 84.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.7 | 174.8 | -108.4 | 0 | 0 | 0 | 112.4 | F45 F46 I47 C51 L52 L53 A77 L84 F243 | F45-F49 WeakPolarHBondContact O-CB 3.12Å; F45-F49 PolarHBondContact O-N 2.74Å; F46-F49 PolarHBondContact O-N 3.14Å; I47-F49 VanDerWaalsContact C-N 3.33Å; I47-F49 PolarHBondContact O-N 3.48Å; F49-C51 PolarHBondContact O-N 3.25Å; F49-L52 PolarHBondContact O-N 3.45Å; F49-L53 HydrophobicContact CD1-CD1 4.17Å; F49-L53 HydrophobicContact CE1-CD1 3.56Å; F49-L53 HydrophobicContact CE1-CG 4.3Å; F49-L53 HydrophobicContact CE2-CD1 4.21Å; F49-L53 HydrophobicContact CE2-CD2 4.24Å; F49-L53 HydrophobicContact CE2-CG 4.15Å; F49-L53 HydrophobicContact CZ-CD1 3.59Å; F49-L53 HydrophobicContact CZ-CD2 4.25Å; F49-L53 HydrophobicContact CZ-CG 4.03Å; F49-L53 WeakPolarHBondContact O-CG 3.46Å; F49-L53 PolarHBondContact O-N 2.63Å; F49-A77 HydrophobicContact CE2-CB 4.37Å; F49-L84 HydrophobicContact CB-CD1 3.76Å; F49-L84 HydrophobicContact CD1-CD1 4.36Å; F49-L84 HydrophobicContact CG-CD1 4.06Å; F49-F243 HydrophobicContact CE1-CE2 4.21Å; F49-F243 HydrophobicContact CZ-CE2 4.4Å |
| 50 | I | 85.3 | Confident | 84.5 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 174.5 | -70.8 | 171.3 | 0 | 0 | 0 | 111 | F46 I47 L52 L53 I54 | F46-I50 HydrophobicContact CD1-CD1 4Å; F46-I50 HydrophobicContact CE1-CD1 3.47Å; F46-I50 VanDerWaalsContact CE1-CD1 3.47Å; F46-I50 HydrophobicContact CE1-CG1 4.46Å; F46-I50 HydrophobicContact CE2-CD1 4.41Å; F46-I50 HydrophobicContact CZ-CD1 3.7Å; F46-I50 HydrophobicContact CZ-CG1 4.36Å; F46-I50 WeakPolarHBondContact O-CG1 3.14Å; F46-I50 PolarHBondContact O-N 3.08Å; I47-I50 PolarHBondContact O-N 3.46Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 PolarHBondContact O-N 3.45Å; I50-L53 PolarHBondContact O-N 2.88Å; I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.49Å; I50-I54 WeakPolarHBondContact O-CG1 3.33Å; I50-I54 PolarHBondContact O-N 2.99Å |
| 51 | C | 88.8 | Confident | 84.6 | Confident | 72 Ų | 72 | 63.2 Ų | 63.2 | 49% | 0.486 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -38.6 | 177.4 | -68.4 | 0 | 0 | 0 | 0 | 112.4 | I47 G48 F49 I54 L55 | I47-C51 PolarHBondContact O-N 2.83Å; I47-C51 PolarHBondContact O-SG 2.98Å; G48-C51 PolarHBondContact O-N 2.85Å; F49-C51 PolarHBondContact O-N 3.25Å; C51-I54 PolarHBondContact O-N 2.95Å; C51-L55 WeakPolarHBondContact O-CB 3.41Å; C51-L55 PolarHBondContact O-N 3.15Å |
| 52 | L | 86.8 | Confident | 84.8 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 176.4 | -73.6 | 168.5 | 0 | 0 | 0 | 112.6 | G48 F49 I50 L55 S56 L76 A77 T80 | G48-L52 WeakPolarHBondContact O-CB 3.48Å; G48-L52 VanDerWaalsContact O-CG 3.31Å; G48-L52 WeakPolarHBondContact O-CG 3.38Å; G48-L52 PolarHBondContact O-N 2.96Å; F49-L52 PolarHBondContact O-N 3.45Å; I50-L52 VanDerWaalsContact C-N 3.31Å; I50-L52 PolarHBondContact O-N 3.45Å; L52-L55 PolarHBondContact O-N 3.45Å; L52-S56 VanDerWaalsContact O-CB 3.24Å; L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 2.94Å; L52-L76 HydrophobicContact CD1-CB 3.94Å; L52-L76 HydrophobicContact CD2-CB 3.95Å; L52-L76 HydrophobicContact CD2-CD1 4.08Å; L52-A77 HydrophobicContact CB-CB 4.31Å; L52-T80 HydrophobicContact CD1-CG2 3.82Å |
| 53 | L | 84.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 41% | 0.414 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 172.4 | -71.8 | -178.7 | 0 | 0 | 0 | 111.8 | F49 I50 S56 L57 A77 | F49-L53 HydrophobicContact CD1-CD1 4.17Å; F49-L53 HydrophobicContact CE1-CD1 3.56Å; F49-L53 HydrophobicContact CE1-CG 4.3Å; F49-L53 HydrophobicContact CE2-CD1 4.21Å; F49-L53 HydrophobicContact CE2-CD2 4.24Å; F49-L53 HydrophobicContact CE2-CG 4.15Å; F49-L53 HydrophobicContact CZ-CD1 3.59Å; F49-L53 HydrophobicContact CZ-CD2 4.25Å; F49-L53 HydrophobicContact CZ-CG 4.03Å; F49-L53 WeakPolarHBondContact O-CG 3.46Å; F49-L53 PolarHBondContact O-N 2.63Å; I50-L53 PolarHBondContact O-N 2.88Å; L53-S56 PolarHBondContact O-N 3.41Å; L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 3.16Å; L53-A77 HydrophobicContact CD2-CB 4.25Å |
| 54 | I | 87 | Confident | 84.4 | Confident | 96 Ų | 96 | 69.1 Ų | 69.1 | 49% | 0.492 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.5 | -66.9 | 166.7 | 0 | 0 | 0 | 110.3 | I50 C51 S56 L57 V58 | I50-I54 HydrophobicContact CG2-CD1 3.79Å; I50-I54 HydrophobicContact CG2-CG1 4.49Å; I50-I54 WeakPolarHBondContact O-CG1 3.33Å; I50-I54 PolarHBondContact O-N 2.99Å; C51-I54 PolarHBondContact O-N 2.95Å; I54-S56 PolarHBondContact O-N 3.12Å; I54-L57 PolarHBondContact O-N 2.86Å; I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 WeakPolarHBondContact O-CB 3.28Å; I54-V58 VanDerWaalsContact O-CG2 3.28Å; I54-V58 WeakPolarHBondContact O-CG2 3.4Å; I54-V58 PolarHBondContact O-N 2.89Å |
| 55 | L | 86.7 | Confident | 83.8 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.7 | -179.6 | 62.2 | 0 | 0 | 0 | 111.7 | C51 L52 L57 V58 T59 P73 | C51-L55 WeakPolarHBondContact O-CB 3.41Å; C51-L55 PolarHBondContact O-N 3.15Å; L52-L55 PolarHBondContact O-N 3.45Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.03Å; L55-V58 PolarHBondContact O-N 3.42Å; L55-T59 HydrophobicContact CD1-CG2 4.25Å; L55-T59 WeakPolarHBondContact O-CG2 3.22Å; L55-T59 PolarHBondContact O-N 3.16Å; L55-T59 PolarHBondContact O-OG1 3.13Å; L55-P73 HydrophobicContact CG-CB 4.5Å |
| 56 | S | 83.5 | Confident | 83.5 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 4% | 0.042 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | L52 L53 I54 T59 N60 F70 | L52-S56 VanDerWaalsContact O-CB 3.24Å; L52-S56 WeakPolarHBondContact O-CB 3.31Å; L52-S56 PolarHBondContact O-N 2.94Å; L53-S56 PolarHBondContact O-N 3.41Å; I54-S56 PolarHBondContact O-N 3.12Å; S56-T59 PolarHBondContact O-OG1 3.23Å; S56-N60 WeakPolarHBondContact O-CB 3.48Å; S56-N60 PolarHBondContact O-N 3.5Å; S56-N60 VanDerWaalsContact O-N 3.12Å; S56-F70 WeakPolarHBondContact OG-CD2 3.43Å; S56-F70 WeakPolarHBondContact OG-CE2 3.5Å |
| 57 | L | 84.8 | Confident | 83.2 | Confident | 106 Ų | 106 | 72.3 Ų | 72.3 | 56% | 0.555 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -68.4 | -43.9 | 173.3 | -177.8 | 65.2 | 0 | 0 | 0 | 111.6 | L53 I54 L55 N60 I61 | L53-L57 WeakPolarHBondContact O-CB 3.45Å; L53-L57 PolarHBondContact O-N 3.16Å; I54-L57 PolarHBondContact O-N 2.86Å; L55-L57 VanDerWaalsContact C-N 3.33Å; L55-L57 PolarHBondContact O-N 3.03Å; L57-N60 PolarHBondContact O-N 3.16Å; L57-I61 HydrophobicContact CD1-CD1 4.23Å; L57-I61 HydrophobicContact CG-CD1 4.03Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.25Å |
| 58 | V | 86.5 | Confident | 82.9 | Confident | 65 Ų | 65 | 72 Ų | 72 | 39% | 0.394 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.6 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | I54 L55 I61 L62 | I54-V58 HydrophobicContact CG2-CG2 4.37Å; I54-V58 WeakPolarHBondContact O-CB 3.28Å; I54-V58 VanDerWaalsContact O-CG2 3.28Å; I54-V58 WeakPolarHBondContact O-CG2 3.4Å; I54-V58 PolarHBondContact O-N 2.89Å; L55-V58 PolarHBondContact O-N 3.42Å; V58-I61 PolarHBondContact O-N 2.95Å; V58-L62 HydrophobicContact CG1-CD1 3.66Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CB 3.39Å; V58-L62 VanDerWaalsContact O-CG 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 3.08Å |
| 59 | T | 83.5 | Confident | 82.4 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 19% | 0.19 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 175.6 | 59.5 | 0 | 0 | 0 | 0 | 112 | L55 S56 I61 L62 A63 Y69 | L55-T59 HydrophobicContact CD1-CG2 4.25Å; L55-T59 WeakPolarHBondContact O-CG2 3.22Å; L55-T59 PolarHBondContact O-N 3.16Å; L55-T59 PolarHBondContact O-OG1 3.13Å; S56-T59 PolarHBondContact O-OG1 3.23Å; T59-I61 PolarHBondContact O-N 3.44Å; T59-L62 PolarHBondContact O-N 3.25Å; T59-A63 WeakPolarHBondContact O-CB 3.17Å; T59-A63 PolarHBondContact O-N 3.22Å; T59-Y69 PolarHBondContact OG1-O 3.41Å |
| 60 | N | 80.4 | Confident | 82.1 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 29% | 0.294 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 175 | 179.8 | -103.1 | 0 | 0 | 0 | 112.4 | S56 L57 F70 | S56-N60 WeakPolarHBondContact O-CB 3.48Å; S56-N60 PolarHBondContact O-N 3.5Å; S56-N60 VanDerWaalsContact O-N 3.12Å; L57-N60 PolarHBondContact O-N 3.16Å; N60-F70 HydrophobicContact CB-CD2 4.01Å; N60-F70 HydrophobicContact CB-CE2 4.44Å |
| 61 | I | 84.6 | Confident | 81.9 | Confident | 117 Ų | 117 | 80.1 Ų | 80.1 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -66.5 | -46 | 177.1 | -66.6 | 164.9 | 0 | 0 | 0 | 111.4 | L57 V58 T59 | L57-I61 HydrophobicContact CD1-CD1 4.23Å; L57-I61 HydrophobicContact CG-CD1 4.03Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.49Å; L57-I61 PolarHBondContact O-N 3.25Å; V58-I61 PolarHBondContact O-N 2.95Å; T59-I61 PolarHBondContact O-N 3.44Å |
| 62 | L | 85.4 | Confident | 81.7 | Confident | 138 Ų | 138 | 83.9 Ų | 83.9 | 72% | 0.723 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71 | -35.2 | -177 | -73.1 | 172.6 | 0 | 0 | 0 | 113.4 | V58 T59 A64 | V58-L62 HydrophobicContact CG1-CD1 3.66Å; V58-L62 HydrophobicContact CG1-CG 4.31Å; V58-L62 WeakPolarHBondContact O-CB 3.39Å; V58-L62 VanDerWaalsContact O-CG 3.29Å; V58-L62 WeakPolarHBondContact O-CG 3.25Å; V58-L62 PolarHBondContact O-N 3.08Å; T59-L62 PolarHBondContact O-N 3.25Å; L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 3.21Å |
| 63 | A | 79.5 | Confident | 81.5 | Confident | 23 Ų | 23 | 82.7 Ų | 82.7 | 19% | 0.19 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 9.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | T59 N65 D66 Y69 | T59-A63 WeakPolarHBondContact O-CB 3.17Å; T59-A63 PolarHBondContact O-N 3.22Å; A63-N65 VanDerWaalsContact C-N 3.26Å; A63-N65 PolarHBondContact O-N 2.98Å; A63-D66 HydrophobicContact CB-CB 4.26Å; A63-D66 WeakPolarHBondContact O-CB 3.27Å; A63-D66 PolarHBondContact O-N 3.15Å; A63-Y69 HydrophobicContact CB-CD2 3.71Å; A63-Y69 HydrophobicContact CB-CG 4.06Å |
| 64 | A | 77.3 | Confident | 81.3 | Confident | 89 Ų | 89 | 84.5 Ų | 84.5 | 74% | 0.736 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L62 | L62-A64 VanDerWaalsContact C-N 3.27Å; L62-A64 PolarHBondContact O-N 3.21Å |
| 65 | N | 71 | Confident | 81.2 | Confident | 126 Ų | 126 | 82 Ų | 82 | 67% | 0.674 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 15.9 | -174.6 | -57.4 | -42 | 0 | 0 | 0 | 117.1 | A63 L67 | A63-N65 VanDerWaalsContact C-N 3.26Å; A63-N65 PolarHBondContact O-N 2.98Å; N65-L67 PolarHBondContact O-N 2.91Å |
| 66 | D | 77.7 | Confident | 81.2 | Confident | 82 Ų | 82 | 80.9 Ų | 80.9 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | trans | -64.3 | 110.8 | 164.7 | -172.6 | -25.2 | 0 | 0 | 0 | 109.9 | A63 S68 Y69 | A63-D66 HydrophobicContact CB-CB 4.26Å; A63-D66 WeakPolarHBondContact O-CB 3.27Å; A63-D66 PolarHBondContact O-N 3.15Å; D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.01Å; D66-S68 VanDerWaalsContact OD1-CB 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.38Å; D66-S68 PolarHBondContact OD1-N 3.26Å; D66-S68 PolarHBondContact OD1-OG 3.18Å; D66-S68 PolarHBondContact OD2-OG 2.8Å; D66-Y69 HydrophobicContact CB-CD2 4.08Å; D66-Y69 HydrophobicContact CB-CE2 4.43Å | ||
| 67 | L | 77.8 | Confident | 81.3 | Confident | 122 Ų | 122 | 80.9 Ų | 80.9 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.6 | -174.6 | -169.6 | 68.3 | 0 | 0 | 0 | 112.5 | N65 Y69 F70 V71 | N65-L67 PolarHBondContact O-N 2.91Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.39Å; L67-F70 HydrophobicContact CD1-CD1 4.45Å; L67-F70 WeakPolarHBondContact O-CB 3.25Å; L67-F70 PolarHBondContact O-N 3.29Å; L67-V71 HydrophobicContact CG-CG2 4.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.21Å; L67-V71 PolarHBondContact O-N 3.06Å |
| 68 | S | 79.2 | Confident | 81.3 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 50% | 0.503 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | -175.2 | 63.3 | 0 | 0 | 0 | 0 | 112.9 | D66 F70 | D66-S68 VanDerWaalsContact CG-OG 3.25Å; D66-S68 PolarHBondContact O-N 3.01Å; D66-S68 VanDerWaalsContact OD1-CB 3.29Å; D66-S68 WeakPolarHBondContact OD1-CB 3.38Å; D66-S68 PolarHBondContact OD1-N 3.26Å; D66-S68 PolarHBondContact OD1-OG 3.18Å; D66-S68 PolarHBondContact OD2-OG 2.8Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.41Å |
| 69 | Y | 75.6 | Confident | 81.4 | Confident | 145 Ų | 145 | 80.1 Ų | 80.1 | 57% | 0.569 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -77 | -11.9 | 177.8 | -62 | -81.4 | 0 | 0 | 0 | 114 | T59 A63 D66 L67 P73 | T59-Y69 PolarHBondContact OG1-O 3.41Å; A63-Y69 HydrophobicContact CB-CD2 3.71Å; A63-Y69 HydrophobicContact CB-CG 4.06Å; D66-Y69 HydrophobicContact CB-CD2 4.08Å; D66-Y69 HydrophobicContact CB-CE2 4.43Å; L67-Y69 VanDerWaalsContact C-N 3.31Å; L67-Y69 PolarHBondContact O-N 3.39Å; Y69-P73 VanDerWaalsContact O-CD 3.31Å; Y69-P73 WeakPolarHBondContact O-CD 3.49Å; Y69-P73 WeakPolarHBondContact O-CG 3.11Å |
| 70 | F | 78.2 | Confident | 81.6 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 25% | 0.25 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -91.2 | -36.4 | 178.9 | -174.8 | -100.5 | 0 | 0 | 0 | 112.5 | S56 N60 L67 S68 F72 P73 F74 | S56-F70 WeakPolarHBondContact OG-CD2 3.43Å; S56-F70 WeakPolarHBondContact OG-CE2 3.5Å; N60-F70 HydrophobicContact CB-CD2 4.01Å; N60-F70 HydrophobicContact CB-CE2 4.44Å; L67-F70 HydrophobicContact CD1-CD1 4.45Å; L67-F70 WeakPolarHBondContact O-CB 3.25Å; L67-F70 PolarHBondContact O-N 3.29Å; S68-F70 VanDerWaalsContact C-N 3.29Å; S68-F70 PolarHBondContact O-N 3.41Å; F70-F72 PolarHBondContact O-N 3.31Å; F70-P73 VanDerWaalsContact O-CD 3.27Å; F70-P73 WeakPolarHBondContact O-CD 3.22Å; F70-P73 WeakPolarHBondContact O-CG 3.5Å; F70-F74 HydrophobicContact CD1-CB 4.16Å; F70-F74 HydrophobicContact CE1-CB 3.89Å; F70-F74 AromaticContact CE1-CD2 3.71Å; F70-F74 HydrophobicContact CE1-CD2 3.71Å; F70-F74 HydrophobicContact CE1-CE2 4.44Å; F70-F74 AromaticContact CE1-CG 3.86Å; F70-F74 HydrophobicContact CE1-CG 3.86Å; F70-F74 HydrophobicContact CZ-CB 4.29Å; F70-F74 AromaticContact CZ-CD2 3.75Å; F70-F74 HydrophobicContact CZ-CD2 3.75Å; F70-F74 HydrophobicContact CZ-CE2 4.49Å; F70-F74 HydrophobicContact CZ-CG 4.28Å; F70-F74 WeakPolarHBondContact O-CB 3.32Å; F70-F74 PolarHBondContact O-N 3.14Å; F70-F74 VanDerWaalsContact O-N 3.08Å |
| 71 | V | 82 | Confident | 81.8 | Confident | 85 Ų | 85 | 78.9 Ų | 78.9 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.8 | -46.5 | -174.8 | 172.6 | 0 | 0 | 0 | 0 | 112.7 | L67 A75 | L67-V71 HydrophobicContact CG-CG2 4.31Å; L67-V71 WeakPolarHBondContact O-CG2 3.21Å; L67-V71 PolarHBondContact O-N 3.06Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.38Å |
| 72 | F | 83.6 | Confident | 82.1 | Confident | 150 Ų | 150 | 77.1 Ų | 77.1 | 66% | 0.658 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.4 | -55.3 | -177.2 | -179.3 | -102.1 | 0 | 0 | 0 | 114.1 | F70 F74 A75 L76 | F70-F72 PolarHBondContact O-N 3.31Å; F72-F74 VanDerWaalsContact C-N 3.28Å; F72-F74 PolarHBondContact O-N 3.29Å; F72-A75 PolarHBondContact O-N 2.97Å; F72-L76 HydrophobicContact CD1-CD1 4.15Å; F72-L76 HydrophobicContact CE1-CD1 3.53Å; F72-L76 HydrophobicContact CE1-CG 4.44Å; F72-L76 HydrophobicContact CE2-CD1 4.36Å; F72-L76 HydrophobicContact CZ-CD1 3.66Å; F72-L76 HydrophobicContact CZ-CG 4.31Å; F72-L76 PolarHBondContact O-N 3.09Å; F72-L76 VanDerWaalsContact O-N 3.12Å |
| 73 | P | 82.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.039 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.2 | -31.4 | 177.8 | 26.6 | -35 | 0 | 0 | 0 | 112.4 | L55 Y69 F70 L76 A77 | L55-P73 HydrophobicContact CG-CB 4.5Å; Y69-P73 VanDerWaalsContact O-CD 3.31Å; Y69-P73 WeakPolarHBondContact O-CD 3.49Å; Y69-P73 WeakPolarHBondContact O-CG 3.11Å; F70-P73 VanDerWaalsContact O-CD 3.27Å; F70-P73 WeakPolarHBondContact O-CD 3.22Å; F70-P73 WeakPolarHBondContact O-CG 3.5Å; P73-L76 PolarHBondContact O-N 3.23Å; P73-A77 WeakPolarHBondContact O-CB 3.4Å; P73-A77 PolarHBondContact O-N 3.04Å |
| 74 | F | 81.2 | Confident | 82.8 | Confident | 117 Ų | 117 | 71.5 Ų | 71.5 | 51% | 0.513 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 173.9 | -175.8 | -96.7 | 0 | 0 | 0 | 112.3 | F70 F72 L76 A77 A78 | F70-F74 HydrophobicContact CD1-CB 4.16Å; F70-F74 HydrophobicContact CE1-CB 3.89Å; F70-F74 AromaticContact CE1-CD2 3.71Å; F70-F74 HydrophobicContact CE1-CD2 3.71Å; F70-F74 HydrophobicContact CE1-CE2 4.44Å; F70-F74 AromaticContact CE1-CG 3.86Å; F70-F74 HydrophobicContact CE1-CG 3.86Å; F70-F74 HydrophobicContact CZ-CB 4.29Å; F70-F74 AromaticContact CZ-CD2 3.75Å; F70-F74 HydrophobicContact CZ-CD2 3.75Å; F70-F74 HydrophobicContact CZ-CE2 4.49Å; F70-F74 HydrophobicContact CZ-CG 4.28Å; F70-F74 WeakPolarHBondContact O-CB 3.32Å; F70-F74 PolarHBondContact O-N 3.14Å; F70-F74 VanDerWaalsContact O-N 3.08Å; F72-F74 VanDerWaalsContact C-N 3.28Å; F72-F74 PolarHBondContact O-N 3.29Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.92Å; F74-A77 WeakPolarHBondContact O-CB 3.38Å; F74-A77 PolarHBondContact O-N 3.09Å; F74-A77 VanDerWaalsContact O-N 3.17Å; F74-A78 PolarHBondContact O-N 3.38Å |
| 75 | A | 85 | Confident | 83.5 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V71 F72 A78 I79 | V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.38Å; F72-A75 PolarHBondContact O-N 2.97Å; A75-A78 PolarHBondContact O-N 2.88Å; A75-I79 WeakPolarHBondContact O-CG1 3.03Å; A75-I79 PolarHBondContact O-N 3.49Å |
| 76 | L | 86.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 62.7 Ų | 62.7 | 33% | 0.33 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 173.1 | -68.4 | 179.1 | 0 | 0 | 0 | 112.4 | L52 F72 P73 F74 A78 I79 T80 | L52-L76 HydrophobicContact CD1-CB 3.94Å; L52-L76 HydrophobicContact CD2-CB 3.95Å; L52-L76 HydrophobicContact CD2-CD1 4.08Å; F72-L76 HydrophobicContact CD1-CD1 4.15Å; F72-L76 HydrophobicContact CE1-CD1 3.53Å; F72-L76 HydrophobicContact CE1-CG 4.44Å; F72-L76 HydrophobicContact CE2-CD1 4.36Å; F72-L76 HydrophobicContact CZ-CD1 3.66Å; F72-L76 HydrophobicContact CZ-CG 4.31Å; F72-L76 PolarHBondContact O-N 3.09Å; F72-L76 VanDerWaalsContact O-N 3.12Å; P73-L76 PolarHBondContact O-N 3.23Å; F74-L76 VanDerWaalsContact C-N 3.34Å; F74-L76 PolarHBondContact O-N 2.92Å; L76-A78 VanDerWaalsContact C-N 3.34Å; L76-I79 PolarHBondContact O-N 2.83Å; L76-T80 WeakPolarHBondContact O-CB 3.36Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 3.49Å; L76-T80 PolarHBondContact O-OG1 3.05Å |
| 77 | A | 84.5 | Confident | 85.1 | Confident | 5 Ų | 5 | 59 Ų | 59 | 4% | 0.041 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F49 L52 L53 P73 F74 T80 S81 | F49-A77 HydrophobicContact CE2-CB 4.37Å; L52-A77 HydrophobicContact CB-CB 4.31Å; L53-A77 HydrophobicContact CD2-CB 4.25Å; P73-A77 WeakPolarHBondContact O-CB 3.4Å; P73-A77 PolarHBondContact O-N 3.04Å; F74-A77 WeakPolarHBondContact O-CB 3.38Å; F74-A77 PolarHBondContact O-N 3.09Å; F74-A77 VanDerWaalsContact O-N 3.17Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-OG1 3.49Å; A77-T80 VanDerWaalsContact O-OG1 3.09Å; A77-S81 WeakPolarHBondContact O-CB 3.26Å; A77-S81 PolarHBondContact O-N 3Å; A77-S81 PolarHBondContact O-OG 3.49Å |
| 78 | A | 85 | Confident | 85.7 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F74 A75 L76 T80 S81 Y82 | F74-A78 PolarHBondContact O-N 3.38Å; A75-A78 PolarHBondContact O-N 2.88Å; L76-A78 VanDerWaalsContact C-N 3.34Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 2.92Å; A78-S81 PolarHBondContact O-N 2.85Å; A78-S81 PolarHBondContact O-OG 3.45Å; A78-Y82 PolarHBondContact O-N 2.87Å |
| 79 | I | 88.4 | Confident | 86.3 | Confident | 107 Ų | 107 | 50.1 Ų | 50.1 | 55% | 0.549 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 177.4 | -66.9 | 163.8 | 0 | 0 | 0 | 111 | A75 L76 T83 | A75-I79 WeakPolarHBondContact O-CG1 3.03Å; A75-I79 PolarHBondContact O-N 3.49Å; L76-I79 PolarHBondContact O-N 2.83Å; I79-T83 WeakPolarHBondContact O-CB 3.13Å; I79-T83 PolarHBondContact O-N 3.02Å; I79-T83 PolarHBondContact O-OG1 2.89Å |
| 80 | T | 87.5 | Confident | 87.1 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 13% | 0.129 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.6 | -35.9 | 178.2 | 49.3 | 0 | 0 | 0 | 0 | 112.6 | F45 L52 L76 A77 A78 T83 L84 | F45-T80 HydrophobicContact CD1-CG2 4.38Å; L52-T80 HydrophobicContact CD1-CG2 3.82Å; L76-T80 WeakPolarHBondContact O-CB 3.36Å; L76-T80 WeakPolarHBondContact O-CG2 3.29Å; L76-T80 PolarHBondContact O-N 3.49Å; L76-T80 PolarHBondContact O-OG1 3.05Å; A77-T80 WeakPolarHBondContact CA-OG1 3.32Å; A77-T80 PolarHBondContact O-OG1 3.49Å; A77-T80 VanDerWaalsContact O-OG1 3.09Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 2.92Å; T80-T83 PolarHBondContact O-N 2.84Å; T80-L84 WeakPolarHBondContact O-CG 3.26Å; T80-L84 PolarHBondContact O-N 3.37Å |
| 81 | S | 86.1 | Confident | 87.6 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 28% | 0.28 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66 | -41.9 | 174.4 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | A77 A78 T83 L84 F85 | A77-S81 WeakPolarHBondContact O-CB 3.26Å; A77-S81 PolarHBondContact O-N 3Å; A77-S81 PolarHBondContact O-OG 3.49Å; A78-S81 PolarHBondContact O-N 2.85Å; A78-S81 PolarHBondContact O-OG 3.45Å; S81-T83 PolarHBondContact O-N 3.48Å; S81-L84 WeakPolarHBondContact O-CB 3.41Å; S81-L84 PolarHBondContact O-N 2.94Å; S81-F85 WeakPolarHBondContact O-CB 3.39Å; S81-F85 PolarHBondContact O-N 2.86Å |
| 82 | Y | 90.2 | Very high | 88 | Confident | 80 Ų | 80 | 37.1 Ų | 37.1 | 31% | 0.314 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 173.4 | 179.4 | -109.6 | 0 | 0 | 0 | 112 | A78 L84 F85 V86 D137 | A78-Y82 PolarHBondContact O-N 2.87Å; Y82-L84 VanDerWaalsContact C-N 3.35Å; Y82-L84 PolarHBondContact O-N 2.61Å; Y82-F85 HydrophobicContact CD2-CD1 4.18Å; Y82-F85 HydrophobicContact CE2-CD1 4.22Å; Y82-F85 WeakPolarHBondContact O-CB 3.35Å; Y82-F85 PolarHBondContact O-N 3.45Å; Y82-V86 HydrophobicContact CD1-CG2 4.5Å; Y82-V86 HydrophobicContact CD2-CG2 4.43Å; Y82-V86 HydrophobicContact CE1-CG2 4Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 WeakPolarHBondContact O-CG2 3.36Å; Y82-V86 PolarHBondContact O-N 3.43Å; Y82-D137 HydrophobicContact CE2-CB 4.37Å; Y82-D137 PolarHBondContact OH-OD2 2.94Å |
| 83 | T | 90.1 | Very high | 88.4 | Confident | 42 Ų | 42 | 32.1 Ų | 32.1 | 26% | 0.258 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | F45 I79 T80 S81 V86 I87 | F45-T83 HydrophobicContact CD1-CG2 3.96Å; F45-T83 HydrophobicContact CD2-CG2 4.44Å; F45-T83 HydrophobicContact CE1-CG2 3.77Å; F45-T83 HydrophobicContact CE2-CG2 4.28Å; F45-T83 HydrophobicContact CG-CG2 4.3Å; F45-T83 HydrophobicContact CZ-CG2 3.94Å; I79-T83 WeakPolarHBondContact O-CB 3.13Å; I79-T83 PolarHBondContact O-N 3.02Å; I79-T83 PolarHBondContact O-OG1 2.89Å; T80-T83 PolarHBondContact O-N 2.84Å; S81-T83 PolarHBondContact O-N 3.48Å; T83-V86 PolarHBondContact O-N 2.68Å; T83-I87 HydrophobicContact CG2-CD1 3.89Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å; T83-I87 VanDerWaalsContact O-CG1 3.22Å; T83-I87 WeakPolarHBondContact O-CG1 3.47Å; T83-I87 PolarHBondContact O-N 3.14Å |
| 84 | L | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.8 | -39.3 | 174.6 | -76.8 | 166.2 | 0 | 0 | 0 | 113.1 | Q42 F45 F46 F49 T80 S81 Y82 T88 I246 | Q42-L84 HydrophobicContact CG-CD2 3.92Å; Q42-L84 WeakPolarHBondContact O-CD2 3.29Å; F45-L84 HydrophobicContact CB-CD2 3.59Å; F45-L84 HydrophobicContact CB-CG 3.92Å; F46-L84 HydrophobicContact CB-CD1 4.44Å; F46-L84 HydrophobicContact CB-CD2 4.1Å; F46-L84 HydrophobicContact CD2-CD1 4.29Å; F49-L84 HydrophobicContact CB-CD1 3.76Å; F49-L84 HydrophobicContact CD1-CD1 4.36Å; F49-L84 HydrophobicContact CG-CD1 4.06Å; T80-L84 WeakPolarHBondContact O-CG 3.26Å; T80-L84 PolarHBondContact O-N 3.37Å; S81-L84 WeakPolarHBondContact O-CB 3.41Å; S81-L84 PolarHBondContact O-N 2.94Å; Y82-L84 VanDerWaalsContact C-N 3.35Å; Y82-L84 PolarHBondContact O-N 2.61Å; L84-T88 WeakPolarHBondContact O-CB 3.49Å; L84-T88 PolarHBondContact O-N 3.21Å; L84-T88 PolarHBondContact O-OG1 3.08Å; L84-I246 HydrophobicContact CB-CD1 4.08Å; L84-I246 HydrophobicContact CB-CG1 4.16Å; L84-I246 HydrophobicContact CB-CG2 3.93Å; L84-I246 HydrophobicContact CD1-CG2 4.06Å; L84-I246 HydrophobicContact CG-CG2 4.42Å |
| 85 | F | 91.1 | Very high | 89.1 | Confident | 24 Ų | 24 | 26.5 Ų | 26.5 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.5 | -52.3 | 176.1 | 174.2 | -113.3 | 0 | 0 | 0 | 111.5 | S81 Y82 I87 T88 Q89 F166 A242 I246 | S81-F85 WeakPolarHBondContact O-CB 3.39Å; S81-F85 PolarHBondContact O-N 2.86Å; Y82-F85 HydrophobicContact CD2-CD1 4.18Å; Y82-F85 HydrophobicContact CE2-CD1 4.22Å; Y82-F85 WeakPolarHBondContact O-CB 3.35Å; Y82-F85 PolarHBondContact O-N 3.45Å; F85-I87 PolarHBondContact O-N 3.29Å; F85-T88 WeakPolarHBondContact O-CB 3.25Å; F85-T88 PolarHBondContact O-N 3.04Å; F85-T88 VanDerWaalsContact O-N 3.15Å; F85-Q89 HydrophobicContact CE2-CG 4.35Å; F85-Q89 PolarHBondContact O-N 3.09Å; F85-F166 HydrophobicContact CE2-CD2 4.39Å; F85-F166 AromaticContact CE2-CE2 3.54Å; F85-F166 HydrophobicContact CE2-CE2 3.54Å; F85-F166 HydrophobicContact CE2-CZ 4.21Å; F85-F166 HydrophobicContact CZ-CD2 4.07Å; F85-F166 AromaticContact CZ-CE2 3.63Å; F85-F166 HydrophobicContact CZ-CE2 3.63Å; F85-A242 HydrophobicContact CD2-CB 3.79Å; F85-A242 HydrophobicContact CE2-CB 3.67Å; F85-I246 HydrophobicContact CB-CD1 4.12Å |
| 86 | V | 91.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 26.1 Ų | 26.1 | 4% | 0.036 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | Y82 T83 T88 Q89 V90 Y130 F133 V134 | Y82-V86 HydrophobicContact CD1-CG2 4.5Å; Y82-V86 HydrophobicContact CD2-CG2 4.43Å; Y82-V86 HydrophobicContact CE1-CG2 4Å; Y82-V86 HydrophobicContact CE2-CG2 3.9Å; Y82-V86 WeakPolarHBondContact O-CG2 3.36Å; Y82-V86 PolarHBondContact O-N 3.43Å; T83-V86 PolarHBondContact O-N 2.68Å; V86-T88 VanDerWaalsContact C-N 3.28Å; V86-T88 PolarHBondContact O-N 3.49Å; V86-Q89 PolarHBondContact O-N 3.19Å; V86-V90 WeakPolarHBondContact O-CG2 3.3Å; V86-V90 PolarHBondContact O-N 2.88Å; V86-Y130 HydrophobicContact CG1-CD1 3.77Å; V86-Y130 HydrophobicContact CG1-CE1 4.06Å; V86-F133 HydrophobicContact CG1-CB 4.28Å; V86-V134 HydrophobicContact CG1-CG2 3.94Å; V86-V134 HydrophobicContact CG2-CG2 4.12Å |
| 87 | I | 91 | Very high | 89.6 | Confident | 6 Ų | 6 | 24 Ų | 24 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58 | -42 | 175.3 | -67.6 | 164.6 | 0 | 0 | 0 | 110.9 | Q42 F45 T83 F85 V90 F91 Y130 | Q42-I87 HydrophobicContact CB-CG2 3.81Å; Q42-I87 HydrophobicContact CG-CG2 4.14Å; F45-I87 HydrophobicContact CD2-CD1 4.01Å; F45-I87 HydrophobicContact CE2-CD1 4.47Å; T83-I87 HydrophobicContact CG2-CD1 3.89Å; T83-I87 WeakPolarHBondContact O-CD1 3.36Å; T83-I87 VanDerWaalsContact O-CG1 3.22Å; T83-I87 WeakPolarHBondContact O-CG1 3.47Å; T83-I87 PolarHBondContact O-N 3.14Å; F85-I87 PolarHBondContact O-N 3.29Å; I87-V90 PolarHBondContact O-N 3.08Å; I87-F91 VanDerWaalsContact O-CB 3.26Å; I87-F91 WeakPolarHBondContact O-CB 3.44Å; I87-F91 PolarHBondContact O-N 3.36Å; I87-Y130 HydrophobicContact CG1-CE1 3.93Å |
| 88 | T | 90.7 | Very high | 89.7 | Confident | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | -178.9 | -58.6 | 0 | 0 | 0 | 0 | 112 | Q42 L84 F85 V86 F91 H92 N245 T249 | Q42-T88 PolarHBondContact NE2-OG1 2.86Å; L84-T88 WeakPolarHBondContact O-CB 3.49Å; L84-T88 PolarHBondContact O-N 3.21Å; L84-T88 PolarHBondContact O-OG1 3.08Å; F85-T88 WeakPolarHBondContact O-CB 3.25Å; F85-T88 PolarHBondContact O-N 3.04Å; F85-T88 VanDerWaalsContact O-N 3.15Å; V86-T88 VanDerWaalsContact C-N 3.28Å; V86-T88 PolarHBondContact O-N 3.49Å; T88-F91 WeakPolarHBondContact O-CB 3.4Å; T88-F91 PolarHBondContact O-N 2.67Å; T88-H92 PolarHBondContact O-N 2.89Å; T88-N245 HydrophobicContact CG2-CB 4.09Å; T88-T249 HydrophobicContact CG2-CG2 4.45Å; T88-T249 WeakPolarHBondContact CG2-OG1 3.47Å |
| 89 | Q | 91.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.019 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68.3 | -42.7 | 177.4 | -69.7 | -169.5 | -12.9 | 0 | 0 | 112.9 | F85 V86 F91 H92 F93 F133 I169 | F85-Q89 HydrophobicContact CE2-CG 4.35Å; F85-Q89 PolarHBondContact O-N 3.09Å; V86-Q89 PolarHBondContact O-N 3.19Å; Q89-F91 PolarHBondContact O-N 3.4Å; Q89-H92 PolarHBondContact O-N 3.33Å; Q89-F93 PolarHBondContact O-N 3.02Å; Q89-F133 HydrophobicContact CB-CD1 3.92Å; Q89-F133 HydrophobicContact CB-CE1 3.75Å; Q89-F133 VanDerWaalsContact OE1-CD1 3.32Å; Q89-I169 HydrophobicContact CB-CG2 4.26Å; Q89-I169 HydrophobicContact CG-CG2 4.34Å |
| 90 | V | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60 | -38.9 | 173 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | V86 I87 F93 L94 L129 Y130 F133 | V86-V90 WeakPolarHBondContact O-CG2 3.3Å; V86-V90 PolarHBondContact O-N 2.88Å; I87-V90 PolarHBondContact O-N 3.08Å; V90-F93 PolarHBondContact O-N 3.12Å; V90-L94 HydrophobicContact CG1-CD1 3.83Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.25Å; V90-L129 HydrophobicContact CG1-CD2 3.89Å; V90-L129 HydrophobicContact CG1-CG 4.49Å; V90-Y130 HydrophobicContact CB-CE1 4.27Å; V90-Y130 HydrophobicContact CB-CE2 4.37Å; V90-Y130 HydrophobicContact CG1-CD2 4.26Å; V90-Y130 HydrophobicContact CG1-CE2 3.75Å; V90-Y130 HydrophobicContact CG2-CD1 4.05Å; V90-Y130 HydrophobicContact CG2-CD2 4.49Å; V90-Y130 HydrophobicContact CG2-CE1 3.99Å; V90-Y130 HydrophobicContact CG2-CE2 4.44Å; V90-Y130 HydrophobicContact CG2-CG 4.29Å; V90-F133 HydrophobicContact CG2-CB 4.42Å; V90-F133 HydrophobicContact CG2-CD2 3.7Å; V90-F133 HydrophobicContact CG2-CE2 4.09Å; V90-F133 HydrophobicContact CG2-CG 4Å |
| 91 | F | 90.3 | Very high | 90 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 6% | 0.061 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 175.2 | -179.9 | -83.3 | 0 | 0 | 0 | 113.3 | I35 I87 T88 Q89 T95 T249 I253 | I35-F91 HydrophobicContact CG2-CD2 4.28Å; I35-F91 HydrophobicContact CG2-CE2 3.55Å; I35-F91 HydrophobicContact CG2-CZ 4.21Å; I87-F91 VanDerWaalsContact O-CB 3.26Å; I87-F91 WeakPolarHBondContact O-CB 3.44Å; I87-F91 PolarHBondContact O-N 3.36Å; T88-F91 WeakPolarHBondContact O-CB 3.4Å; T88-F91 PolarHBondContact O-N 2.67Å; Q89-F91 PolarHBondContact O-N 3.4Å; F91-T95 WeakPolarHBondContact CE1-OG1 3.43Å; F91-T95 VanDerWaalsContact O-CB 3.26Å; F91-T95 WeakPolarHBondContact O-CB 3.38Å; F91-T95 PolarHBondContact O-N 3.39Å; F91-T95 PolarHBondContact O-OG1 3.4Å; F91-T249 HydrophobicContact CD1-CG2 3.59Å; F91-T249 HydrophobicContact CE1-CG2 3.82Å; F91-T249 HydrophobicContact CG-CG2 4.24Å; F91-I253 HydrophobicContact CD2-CD1 4.49Å; F91-I253 HydrophobicContact CE1-CD1 3.91Å; F91-I253 HydrophobicContact CE1-CG1 4.3Å; F91-I253 HydrophobicContact CE2-CD1 3.61Å; F91-I253 HydrophobicContact CE2-CG1 4.42Å; F91-I253 HydrophobicContact CZ-CD1 3.3Å; F91-I253 HydrophobicContact CZ-CG1 3.71Å |
| 92 | H | 90 | Very high | 89.9 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -58.3 | -48.2 | 173.6 | -71.5 | 171.5 | 0 | 0 | 0 | 110.7 | T88 Q89 T95 F96 D170 K216 | T88-H92 PolarHBondContact O-N 2.89Å; Q89-H92 PolarHBondContact O-N 3.33Å; H92-T95 PolarHBondContact O-N 3.36Å; H92-F96 PolarHBondContact O-N 2.87Å; H92-D170 IonicContact CE1-OD1 3.17Å; H92-D170 PolarHBondContact CE1-OD1 3.03Å; H92-D170 IonicContact ND1-OD1 3Å; H92-D170 PolarHBondContact ND1-OD1 3.41Å; H92-K216 PolarHBondContact CE1-NZ 3.04Å; H92-K216 VanDerWaalsContact CE1-NZ 3.3Å; H92-K216 PolarHBondContact NE2-NZ 2.94Å |
| 93 | F | 91 | Very high | 89.7 | Confident | 45 Ų | 45 | 16.4 Ų | 16.4 | 20% | 0.197 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.3 | -47 | 179.7 | -178.4 | -107.7 | 0 | 0 | 0 | 112.9 | Q89 V90 T95 F96 L97 L129 F133 F172 | Q89-F93 PolarHBondContact O-N 3.02Å; V90-F93 PolarHBondContact O-N 3.12Å; F93-T95 VanDerWaalsContact C-N 3.27Å; F93-T95 PolarHBondContact O-N 3.19Å; F93-F96 PolarHBondContact O-N 3.14Å; F93-L97 HydrophobicContact CD1-CD1 3.78Å; F93-L97 HydrophobicContact CD1-CG 4.43Å; F93-L97 HydrophobicContact CE1-CD1 3.32Å; F93-L97 HydrophobicContact CE1-CG 4.13Å; F93-L97 HydrophobicContact CE2-CD1 4.45Å; F93-L97 HydrophobicContact CE2-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 3.71Å; F93-L97 HydrophobicContact CZ-CD2 4.27Å; F93-L97 HydrophobicContact CZ-CG 4.12Å; F93-L97 WeakPolarHBondContact O-CG 3.46Å; F93-L97 PolarHBondContact O-N 3.26Å; F93-L129 HydrophobicContact CD1-CD1 3.86Å; F93-L129 HydrophobicContact CD1-CD2 3.91Å; F93-L129 HydrophobicContact CD1-CG 4.46Å; F93-L129 HydrophobicContact CE1-CD1 3.64Å; F93-L129 HydrophobicContact CE1-CD2 4.21Å; F93-F133 HydrophobicContact CB-CZ 4.09Å; F93-F133 HydrophobicContact CG-CZ 4.37Å; F93-F172 HydrophobicContact CD2-CD2 4.03Å; F93-F172 AromaticContact CD2-CE2 3.78Å; F93-F172 HydrophobicContact CD2-CE2 3.78Å; F93-F172 HydrophobicContact CD2-CZ 4.36Å; F93-F172 HydrophobicContact CE2-CE2 4.34Å |
| 94 | L | 90.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.5 | -35 | 175 | -71.4 | 174.3 | 0 | 0 | 0 | 112.3 | L31 I35 V90 L98 I126 L129 | L31-L94 HydrophobicContact CD1-CD2 4.38Å; I35-L94 HydrophobicContact CG1-CB 4.33Å; V90-L94 HydrophobicContact CG1-CD1 3.83Å; V90-L94 HydrophobicContact CG1-CG 4.22Å; V90-L94 WeakPolarHBondContact O-CB 3.24Å; V90-L94 VanDerWaalsContact O-CG 3.28Å; V90-L94 WeakPolarHBondContact O-CG 3.35Å; V90-L94 PolarHBondContact O-N 3.25Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 PolarHBondContact O-N 2.88Å; L94-I126 HydrophobicContact CD1-CD1 4.11Å; L94-L129 HydrophobicContact CD2-CD2 4.11Å; L94-L129 HydrophobicContact CG-CD2 4.35Å |
| 95 | T | 88.5 | Confident | 89.3 | Confident | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.012 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.8 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | F91 H92 F93 A99 | F91-T95 WeakPolarHBondContact CE1-OG1 3.43Å; F91-T95 VanDerWaalsContact O-CB 3.26Å; F91-T95 WeakPolarHBondContact O-CB 3.38Å; F91-T95 PolarHBondContact O-N 3.39Å; F91-T95 PolarHBondContact O-OG1 3.4Å; H92-T95 PolarHBondContact O-N 3.36Å; F93-T95 VanDerWaalsContact C-N 3.27Å; F93-T95 PolarHBondContact O-N 3.19Å; T95-A99 PolarHBondContact O-N 3.19Å; T95-A99 VanDerWaalsContact O-N 3.13Å |
| 96 | F | 91.6 | Very high | 88.7 | Confident | 37 Ų | 37 | 24.1 Ų | 24.1 | 16% | 0.162 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.7 | -46.2 | 173.6 | 163 | -102.8 | 0 | 0 | 0 | 112.2 | H92 F93 L98 A99 A100 F172 I175 F179 | H92-F96 PolarHBondContact O-N 2.87Å; F93-F96 PolarHBondContact O-N 3.14Å; F96-L98 PolarHBondContact O-N 3.49Å; F96-A99 WeakPolarHBondContact O-CB 3.34Å; F96-A99 PolarHBondContact O-N 3.02Å; F96-A99 VanDerWaalsContact O-N 3.09Å; F96-A100 PolarHBondContact O-N 2.83Å; F96-F172 HydrophobicContact CB-CB 3.73Å; F96-F172 HydrophobicContact CB-CG 4.3Å; F96-F172 HydrophobicContact CD1-CB 4.47Å; F96-F172 AromaticContact CD1-CD1 3.75Å; F96-F172 HydrophobicContact CD1-CD1 3.75Å; F96-F172 HydrophobicContact CD1-CE1 4.17Å; F96-F172 HydrophobicContact CD1-CG 4.15Å; F96-F172 HydrophobicContact CD2-CB 4.43Å; F96-F172 HydrophobicContact CD2-CD1 4.13Å; F96-F172 AromaticContact CE1-CD1 3.91Å; F96-F172 HydrophobicContact CE1-CD1 3.91Å; F96-F172 AromaticContact CE1-CE1 3.98Å; F96-F172 HydrophobicContact CE1-CE1 3.98Å; F96-F172 HydrophobicContact CE2-CD1 4.29Å; F96-F172 HydrophobicContact CG-CB 3.97Å; F96-F172 AromaticContact CG-CD1 3.86Å; F96-F172 HydrophobicContact CG-CD1 3.86Å; F96-F172 HydrophobicContact CG-CG 4.11Å; F96-F172 HydrophobicContact CZ-CD1 4.19Å; F96-F172 HydrophobicContact CZ-CE1 4.35Å; F96-I175 HydrophobicContact CD2-CB 4.19Å; F96-I175 HydrophobicContact CD2-CG2 4.04Å; F96-I175 HydrophobicContact CE2-CB 4.19Å; F96-I175 HydrophobicContact CE2-CG2 3.63Å; F96-F179 HydrophobicContact CD2-CE2 4.37Å; F96-F179 HydrophobicContact CE2-CD2 4.35Å; F96-F179 AromaticContact CE2-CE2 3.69Å; F96-F179 HydrophobicContact CE2-CE2 3.69Å; F96-F179 HydrophobicContact CE2-CZ 4.41Å; F96-F179 HydrophobicContact CZ-CE2 4.46Å |
| 97 | L | 90.5 | Very high | 88.3 | Confident | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.099 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.7 | -48.1 | 175.2 | -71.3 | 175.6 | 0 | 0 | 0 | 111.6 | F93 A99 A100 E101 F118 L122 | F93-L97 HydrophobicContact CD1-CD1 3.78Å; F93-L97 HydrophobicContact CD1-CG 4.43Å; F93-L97 HydrophobicContact CE1-CD1 3.32Å; F93-L97 HydrophobicContact CE1-CG 4.13Å; F93-L97 HydrophobicContact CE2-CD1 4.45Å; F93-L97 HydrophobicContact CE2-CG 4.43Å; F93-L97 HydrophobicContact CZ-CD1 3.71Å; F93-L97 HydrophobicContact CZ-CD2 4.27Å; F93-L97 HydrophobicContact CZ-CG 4.12Å; F93-L97 WeakPolarHBondContact O-CG 3.46Å; F93-L97 PolarHBondContact O-N 3.26Å; L97-A99 PolarHBondContact O-N 2.88Å; L97-A100 PolarHBondContact O-N 3.39Å; L97-A100 VanDerWaalsContact O-N 3.14Å; L97-E101 WeakPolarHBondContact O-CB 3.4Å; L97-E101 VanDerWaalsContact O-CG 3.26Å; L97-E101 WeakPolarHBondContact O-CG 3.17Å; L97-E101 PolarHBondContact O-N 3.09Å; L97-F118 HydrophobicContact CD2-CE1 4.2Å; L97-F118 HydrophobicContact CD2-CZ 4.28Å; L97-L122 HydrophobicContact CD1-CD1 3.83Å; L97-L122 HydrophobicContact CD1-CD2 4.25Å |
| 98 | L | 87.8 | Confident | 88 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -34.8 | 175.7 | 178.4 | 68.4 | 0 | 0 | 0 | 112.7 | L31 I35 L94 F96 R102 | L31-L98 HydrophobicContact CD2-CB 4.11Å; L31-L98 HydrophobicContact CD2-CD1 3.79Å; L31-L98 HydrophobicContact CG-CD1 4.3Å; I35-L98 HydrophobicContact CD1-CB 4.22Å; I35-L98 HydrophobicContact CD1-CD2 3.65Å; I35-L98 HydrophobicContact CD1-CG 4.46Å; L94-L98 WeakPolarHBondContact O-CB 3.45Å; L94-L98 PolarHBondContact O-N 2.88Å; F96-L98 PolarHBondContact O-N 3.49Å; L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 WeakPolarHBondContact O-CD 3.38Å; L98-R102 WeakPolarHBondContact O-CG 3.31Å; L98-R102 PolarHBondContact O-N 3.35Å |
| 99 | A | 88 | Confident | 87.5 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.7 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T95 F96 L97 R102 V103 F179 Y180 | T95-A99 PolarHBondContact O-N 3.19Å; T95-A99 VanDerWaalsContact O-N 3.13Å; F96-A99 WeakPolarHBondContact O-CB 3.34Å; F96-A99 PolarHBondContact O-N 3.02Å; F96-A99 VanDerWaalsContact O-N 3.09Å; L97-A99 PolarHBondContact O-N 2.88Å; A99-R102 PolarHBondContact O-N 2.88Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 3.06Å; A99-F179 HydrophobicContact CB-CB 4.02Å; A99-F179 HydrophobicContact CB-CD2 4.29Å; A99-Y180 HydrophobicContact CB-CE1 4.45Å; A99-Y180 HydrophobicContact CB-CE2 4.13Å |
| 100 | A | 89.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.2 | -47 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F96 L97 R102 V103 L104 F179 | F96-A100 PolarHBondContact O-N 2.83Å; L97-A100 PolarHBondContact O-N 3.39Å; L97-A100 VanDerWaalsContact O-N 3.14Å; A100-R102 VanDerWaalsContact C-N 3.33Å; A100-R102 PolarHBondContact O-N 3.23Å; A100-V103 WeakPolarHBondContact O-CB 3.47Å; A100-V103 PolarHBondContact O-N 3.13Å; A100-L104 WeakPolarHBondContact O-CG 3.22Å; A100-L104 PolarHBondContact O-N 2.9Å; A100-F179 HydrophobicContact CB-CD2 4.22Å; A100-F179 HydrophobicContact CB-CE2 3.94Å |
| 101 | E | 88 | Confident | 86.9 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.4 | -45.2 | 175.1 | -71.8 | 170.6 | 176.3 | 0 | 0 | 111.7 | L31 L97 V103 L104 V105 I115 Q119 | L31-E101 WeakPolarHBondContact CD2-OE2 3.44Å; L97-E101 WeakPolarHBondContact O-CB 3.4Å; L97-E101 VanDerWaalsContact O-CG 3.26Å; L97-E101 WeakPolarHBondContact O-CG 3.17Å; L97-E101 PolarHBondContact O-N 3.09Å; E101-V103 PolarHBondContact O-N 3.08Å; E101-L104 PolarHBondContact O-N 3.13Å; E101-V105 WeakPolarHBondContact O-CG2 3.42Å; E101-V105 PolarHBondContact O-N 3.21Å; E101-I115 HydrophobicContact CB-CG2 3.95Å; E101-I115 HydrophobicContact CG-CG2 3.86Å; E101-Q119 WeakPolarHBondContact OE1-CG 3.29Å; E101-Q119 PolarHBondContact OE2-NE2 2.73Å |
| 102 | R | 84.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 30% | 0.298 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 177.9 | -74.2 | 174.2 | -178.6 | -146.6 | -0.7 | 113 | L98 A99 A100 Y106 I183 | L98-R102 WeakPolarHBondContact O-CB 3.4Å; L98-R102 WeakPolarHBondContact O-CD 3.38Å; L98-R102 WeakPolarHBondContact O-CG 3.31Å; L98-R102 PolarHBondContact O-N 3.35Å; A99-R102 PolarHBondContact O-N 2.88Å; A100-R102 VanDerWaalsContact C-N 3.33Å; A100-R102 PolarHBondContact O-N 3.23Å; R102-Y106 WeakPolarHBondContact O-CB 3.21Å; R102-Y106 PolarHBondContact O-N 3.2Å; R102-I183 HydrophobicContact CB-CD1 3.58Å |
| 103 | V | 86.9 | Confident | 86.2 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -48.9 | 171.8 | 168 | 0 | 0 | 0 | 0 | 109.7 | A99 A100 E101 Y106 F107 F179 I183 | A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 3.06Å; A100-V103 WeakPolarHBondContact O-CB 3.47Å; A100-V103 PolarHBondContact O-N 3.13Å; E101-V103 PolarHBondContact O-N 3.08Å; V103-Y106 PolarHBondContact O-N 2.69Å; V103-F107 HydrophobicContact CG1-CD2 3.74Å; V103-F107 HydrophobicContact CG1-CE2 3.98Å; V103-F107 VanDerWaalsContact O-CD2 3.27Å; V103-F107 WeakPolarHBondContact O-CD2 3.18Å; V103-F107 PolarHBondContact O-N 3.34Å; V103-F179 HydrophobicContact CG2-CB 3.76Å; V103-F179 HydrophobicContact CG2-CD2 4.46Å; V103-F179 HydrophobicContact CG2-CG 4.03Å; V103-I183 HydrophobicContact CG2-CD1 3.86Å; V103-I183 HydrophobicContact CG2-CG1 4.01Å |
| 104 | L | 87.5 | Confident | 86 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 40% | 0.398 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -49.9 | -178.1 | -71.2 | 171.2 | 0 | 0 | 0 | 112.7 | A100 E101 Y106 F107 F108 T111 I115 | A100-L104 WeakPolarHBondContact O-CG 3.22Å; A100-L104 PolarHBondContact O-N 2.9Å; E101-L104 PolarHBondContact O-N 3.13Å; L104-Y106 PolarHBondContact O-N 3.09Å; L104-F107 PolarHBondContact O-N 3.24Å; L104-F108 HydrophobicContact CD2-CD2 4.4Å; L104-F108 CarbonylContact O-C 3.41Å; L104-F108 WeakPolarHBondContact O-CA 3.33Å; L104-F108 WeakPolarHBondContact O-CB 3.47Å; L104-F108 PolarHBondContact O-N 3.35Å; L104-T111 PolarHBondContact O-OG1 3.37Å; L104-I115 HydrophobicContact CB-CD1 3.6Å; L104-I115 HydrophobicContact CD1-CD1 4.3Å |
| 105 | V | 84.4 | Confident | 85.8 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.5 | -39.1 | 175.8 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | E101 I115 | E101-V105 WeakPolarHBondContact O-CG2 3.42Å; E101-V105 PolarHBondContact O-N 3.21Å; V105-I115 HydrophobicContact CG2-CB 4.44Å; V105-I115 HydrophobicContact CG2-CD1 3.56Å; V105-I115 HydrophobicContact CG2-CG2 4.27Å |
| 106 | Y | 77.8 | Confident | 85.5 | Confident | 101 Ų | 101 | 64 Ų | 64 | 40% | 0.396 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.9 | -42.4 | -177.3 | -171.7 | -87.4 | 0 | 0 | 0 | 113.3 | R102 V103 L104 S186 | R102-Y106 WeakPolarHBondContact O-CB 3.21Å; R102-Y106 PolarHBondContact O-N 3.2Å; V103-Y106 PolarHBondContact O-N 2.69Å; L104-Y106 PolarHBondContact O-N 3.09Å; Y106-S186 VanDerWaalsContact CE1-CB 3.46Å; Y106-S186 WeakPolarHBondContact CE1-OG 3.41Å; Y106-S186 WeakPolarHBondContact OH-CB 3.48Å |
| 107 | F | 83.2 | Confident | 85.2 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 50% | 0.5 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -86.4 | -28.1 | -180 | -72.2 | -70.8 | 0 | 0 | 0 | 113.6 | V103 L104 P182 | V103-F107 HydrophobicContact CG1-CD2 3.74Å; V103-F107 HydrophobicContact CG1-CE2 3.98Å; V103-F107 VanDerWaalsContact O-CD2 3.27Å; V103-F107 WeakPolarHBondContact O-CD2 3.18Å; V103-F107 PolarHBondContact O-N 3.34Å; L104-F107 PolarHBondContact O-N 3.24Å; F107-P182 HydrophobicContact CE2-CB 4.29Å; F107-P182 HydrophobicContact CZ-CB 4.15Å |
| 108 | F | 85.1 | Confident | 85 | Confident | 120 Ų | 120 | 71.2 Ų | 71.2 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | trans | -134.6 | 85.5 | -175 | -56.3 | -79 | 0 | 0 | 0 | 110.1 | L104 S110 T111 | L104-F108 HydrophobicContact CD2-CD2 4.4Å; L104-F108 CarbonylContact O-C 3.41Å; L104-F108 WeakPolarHBondContact O-CA 3.33Å; L104-F108 WeakPolarHBondContact O-CB 3.47Å; L104-F108 PolarHBondContact O-N 3.35Å; F108-S110 PolarHBondContact O-N 3.29Å; F108-S110 VanDerWaalsContact O-N 3.08Å; F108-T111 HydrophobicContact CB-CG2 3.69Å; F108-T111 WeakPolarHBondContact O-CB 3.45Å; F108-T111 PolarHBondContact O-N 2.55Å; F108-T111 PolarHBondContact O-OG1 3.1Å | ||
| 109 | R | 80.8 | Confident | 84.9 | Confident | 203 Ų | 203 | 71.5 Ų | 71.5 | 77% | 0.766 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -54.6 | -30.8 | 178.9 | -169.5 | 174.2 | 179.5 | -172.7 | -5.1 | 113.3 | T111 E112 | R109-T111 PolarHBondContact O-N 2.96Å; R109-T111 VanDerWaalsContact O-N 3.09Å; R109-E112 IonicContact NE-OE2 3.97Å; R109-E112 WeakPolarHBondContact O-CB 3.34Å; R109-E112 PolarHBondContact O-N 3.4Å; R109-E112 VanDerWaalsContact O-N 3.09Å |
| 110 | S | 83.7 | Confident | 84.7 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 70% | 0.699 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.7 | -6.3 | 173.3 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | F108 | F108-S110 PolarHBondContact O-N 3.29Å; F108-S110 VanDerWaalsContact O-N 3.08Å |
| 111 | T | 85.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 78.2 Ų | 78.2 | 17% | 0.172 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -89.1 | -10.3 | 172.6 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | L104 F108 R109 E113 K114 I115 | L104-T111 PolarHBondContact O-OG1 3.37Å; F108-T111 HydrophobicContact CB-CG2 3.69Å; F108-T111 WeakPolarHBondContact O-CB 3.45Å; F108-T111 PolarHBondContact O-N 2.55Å; F108-T111 PolarHBondContact O-OG1 3.1Å; R109-T111 PolarHBondContact O-N 2.96Å; R109-T111 VanDerWaalsContact O-N 3.09Å; T111-E113 PolarHBondContact O-N 3.44Å; T111-K114 PolarHBondContact O-N 3.39Å; T111-I115 WeakPolarHBondContact O-CB 3.41Å; T111-I115 WeakPolarHBondContact O-CG1 3.31Å; T111-I115 PolarHBondContact O-N 3.35Å; T111-I115 WeakPolarHBondContact OG1-CD1 3.3Å |
| 112 | E | 82.6 | Confident | 84.5 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56 | -44.9 | -174.5 | -172.4 | 169.4 | -178.4 | 0 | 0 | 112.9 | S24 R109 I115 S116 | S24-E112 VanDerWaalsContact CB-CG 3.49Å; S24-E112 WeakPolarHBondContact CB-OE1 3.21Å; S24-E112 PolarHBondContact OG-OE1 2.82Å; R109-E112 IonicContact NE-OE2 3.97Å; R109-E112 WeakPolarHBondContact O-CB 3.34Å; R109-E112 PolarHBondContact O-N 3.4Å; R109-E112 VanDerWaalsContact O-N 3.09Å; E112-I115 PolarHBondContact O-N 3.32Å; E112-S116 PolarHBondContact O-N 2.73Å; E112-S116 PolarHBondContact O-OG 3.34Å |
| 113 | E | 84.3 | Confident | 84.5 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 59% | 0.589 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.3 | -36 | 174.3 | -67.1 | 174.9 | -161.5 | 0 | 0 | 113.9 | T111 I115 S116 L117 | T111-E113 PolarHBondContact O-N 3.44Å; E113-I115 VanDerWaalsContact C-N 3.34Å; E113-S116 WeakPolarHBondContact CA-OG 3.41Å; E113-S116 PolarHBondContact O-OG 3.17Å; E113-L117 WeakPolarHBondContact O-CG 3.34Å; E113-L117 PolarHBondContact O-N 3.29Å |
| 114 | K | 85.8 | Confident | 84.5 | Confident | 157 Ų | 157 | 83.3 Ų | 83.3 | 68% | 0.683 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -71.9 | -36.1 | 179.5 | -62.1 | -177.8 | -177.5 | 179 | 0 | 110.4 | T111 F118 | T111-K114 PolarHBondContact O-N 3.39Å; K114-F118 WeakPolarHBondContact O-CB 3.34Å; K114-F118 PolarHBondContact O-N 2.96Å |
| 115 | I | 86.2 | Confident | 84.5 | Confident | 14 Ų | 14 | 86.4 Ų | 86.4 | 7% | 0.072 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73 | -39.1 | 178.8 | -71.6 | 167.5 | 0 | 0 | 0 | 111 | E101 L104 V105 T111 E112 E113 L117 F118 Q119 | E101-I115 HydrophobicContact CB-CG2 3.95Å; E101-I115 HydrophobicContact CG-CG2 3.86Å; L104-I115 HydrophobicContact CB-CD1 3.6Å; L104-I115 HydrophobicContact CD1-CD1 4.3Å; V105-I115 HydrophobicContact CG2-CB 4.44Å; V105-I115 HydrophobicContact CG2-CD1 3.56Å; V105-I115 HydrophobicContact CG2-CG2 4.27Å; T111-I115 WeakPolarHBondContact O-CB 3.41Å; T111-I115 WeakPolarHBondContact O-CG1 3.31Å; T111-I115 PolarHBondContact O-N 3.35Å; T111-I115 WeakPolarHBondContact OG1-CD1 3.3Å; E112-I115 PolarHBondContact O-N 3.32Å; E113-I115 VanDerWaalsContact C-N 3.34Å; I115-L117 PolarHBondContact O-N 2.99Å; I115-F118 PolarHBondContact O-N 3.3Å; I115-Q119 HydrophobicContact CG2-CG 4.3Å; I115-Q119 WeakPolarHBondContact O-CB 3.34Å; I115-Q119 WeakPolarHBondContact O-CG 3.44Å; I115-Q119 PolarHBondContact O-N 3.37Å |
| 116 | S | 83.3 | Confident | 84.7 | Confident | 19 Ų | 19 | 85.4 Ų | 85.4 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.9 | -42 | 174.4 | 60.7 | 0 | 0 | 0 | 0 | 112.7 | E112 E113 N120 | E112-S116 PolarHBondContact O-N 2.73Å; E112-S116 PolarHBondContact O-OG 3.34Å; E113-S116 WeakPolarHBondContact CA-OG 3.41Å; E113-S116 PolarHBondContact O-OG 3.17Å; S116-N120 PolarHBondContact O-N 3.38Å; S116-N120 VanDerWaalsContact O-N 3.12Å; S116-N120 PolarHBondContact O-ND2 3.48Å; S116-N120 VanDerWaalsContact O-ND2 3.07Å |
| 117 | L | 84.9 | Confident | 85.3 | Confident | 123 Ų | 123 | 87 Ų | 87 | 64% | 0.644 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | 172.1 | -69 | 173.8 | 0 | 0 | 0 | 112.1 | E113 I115 N120 F121 | E113-L117 WeakPolarHBondContact O-CG 3.34Å; E113-L117 PolarHBondContact O-N 3.29Å; I115-L117 PolarHBondContact O-N 2.99Å; L117-N120 WeakPolarHBondContact O-CB 3.48Å; L117-N120 PolarHBondContact O-N 3.3Å; L117-F121 PolarHBondContact O-N 3.31Å |
| 118 | F | 86.6 | Confident | 85.7 | Confident | 84 Ų | 84 | 84.9 Ų | 84.9 | 37% | 0.368 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 177.5 | -178.9 | -111.5 | 0 | 0 | 0 | 112.9 | L97 K114 I115 N120 F121 L122 | L97-F118 HydrophobicContact CD2-CE1 4.2Å; L97-F118 HydrophobicContact CD2-CZ 4.28Å; K114-F118 WeakPolarHBondContact O-CB 3.34Å; K114-F118 PolarHBondContact O-N 2.96Å; I115-F118 PolarHBondContact O-N 3.3Å; F118-N120 VanDerWaalsContact C-N 3.34Å; F118-N120 PolarHBondContact O-N 2.95Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 3.01Å; F118-F121 VanDerWaalsContact O-N 3.15Å; F118-L122 HydrophobicContact CD1-CD1 3.89Å; F118-L122 HydrophobicContact CD1-CG 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.45Å; F118-L122 VanDerWaalsContact CE1-CD1 3.45Å; F118-L122 HydrophobicContact CE1-CG 4.04Å; F118-L122 HydrophobicContact CE2-CD2 4.37Å; F118-L122 HydrophobicContact CE2-CG 4.3Å; F118-L122 HydrophobicContact CZ-CD1 3.82Å; F118-L122 HydrophobicContact CZ-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CG 3.99Å; F118-L122 WeakPolarHBondContact O-CG 3.42Å; F118-L122 PolarHBondContact O-N 3.19Å |
| 119 | Q | 86 | Confident | 86 | Confident | 16 Ų | 16 | 80.6 Ų | 80.6 | 8% | 0.075 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.1 | -75.2 | 174.6 | -18.2 | 0 | 0 | 111.9 | L31 E101 I115 L122 K123 | L31-Q119 HydrophobicContact CD2-CG 4.28Å; E101-Q119 WeakPolarHBondContact OE1-CG 3.29Å; E101-Q119 PolarHBondContact OE2-NE2 2.73Å; I115-Q119 HydrophobicContact CG2-CG 4.3Å; I115-Q119 WeakPolarHBondContact O-CB 3.34Å; I115-Q119 WeakPolarHBondContact O-CG 3.44Å; I115-Q119 PolarHBondContact O-N 3.37Å; Q119-L122 PolarHBondContact O-N 3.43Å; Q119-K123 WeakPolarHBondContact O-CB 3.34Å; Q119-K123 PolarHBondContact O-N 2.93Å |
| 120 | N | 83.6 | Confident | 86.5 | Confident | 35 Ų | 35 | 73.5 Ų | 73.5 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.1 | -81.7 | -48.8 | 0 | 0 | 0 | 112.6 | Y27 S116 L117 F118 K123 N124 | Y27-N120 VanDerWaalsContact CD1-OD1 3.29Å; Y27-N120 WeakPolarHBondContact CD1-OD1 3.5Å; Y27-N120 WeakPolarHBondContact CE1-ND2 3.26Å; Y27-N120 WeakPolarHBondContact CE1-OD1 3.2Å; Y27-N120 PolarHBondContact OH-ND2 3.49Å; S116-N120 PolarHBondContact O-N 3.38Å; S116-N120 VanDerWaalsContact O-N 3.12Å; S116-N120 PolarHBondContact O-ND2 3.48Å; S116-N120 VanDerWaalsContact O-ND2 3.07Å; L117-N120 WeakPolarHBondContact O-CB 3.48Å; L117-N120 PolarHBondContact O-N 3.3Å; F118-N120 VanDerWaalsContact C-N 3.34Å; F118-N120 PolarHBondContact O-N 2.95Å; N120-K123 PolarHBondContact O-N 3.15Å; N120-N124 WeakPolarHBondContact O-CB 3.41Å; N120-N124 VanDerWaalsContact O-CG 3.28Å; N120-N124 PolarHBondContact O-N 3.27Å |
| 121 | F | 86.4 | Confident | 87 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 54% | 0.544 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | 176.4 | 178.3 | -92.8 | 0 | 0 | 0 | 110.9 | L117 F118 K123 N124 R125 | L117-F121 PolarHBondContact O-N 3.31Å; F118-F121 WeakPolarHBondContact O-CB 3.45Å; F118-F121 PolarHBondContact O-N 3.01Å; F118-F121 VanDerWaalsContact O-N 3.15Å; F121-K123 PolarHBondContact O-N 2.89Å; F121-N124 PolarHBondContact O-N 3.03Å; F121-R125 HydrophobicContact CD2-CG 4.18Å; F121-R125 HydrophobicContact CE1-CG 4.39Å; F121-R125 HydrophobicContact CE2-CG 3.96Å; F121-R125 HydrophobicContact CG-CG 4.5Å; F121-R125 HydrophobicContact CZ-CG 4.07Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CG 3.3Å; F121-R125 WeakPolarHBondContact O-CG 3.3Å; F121-R125 PolarHBondContact O-N 3.33Å |
| 122 | L | 86.6 | Confident | 87.4 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.094 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.3 | -72.2 | 177.8 | 0 | 0 | 0 | 112.6 | L97 F118 Q119 N124 R125 I126 | L97-L122 HydrophobicContact CD1-CD1 3.83Å; L97-L122 HydrophobicContact CD1-CD2 4.25Å; F118-L122 HydrophobicContact CD1-CD1 3.89Å; F118-L122 HydrophobicContact CD1-CG 4.37Å; F118-L122 HydrophobicContact CE1-CD1 3.45Å; F118-L122 VanDerWaalsContact CE1-CD1 3.45Å; F118-L122 HydrophobicContact CE1-CG 4.04Å; F118-L122 HydrophobicContact CE2-CD2 4.37Å; F118-L122 HydrophobicContact CE2-CG 4.3Å; F118-L122 HydrophobicContact CZ-CD1 3.82Å; F118-L122 HydrophobicContact CZ-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CG 3.99Å; F118-L122 WeakPolarHBondContact O-CG 3.42Å; F118-L122 PolarHBondContact O-N 3.19Å; Q119-L122 PolarHBondContact O-N 3.43Å; L122-N124 PolarHBondContact O-N 3.35Å; L122-R125 CarbonylContact O-C 3.59Å; L122-R125 PolarHBondContact O-N 3Å; L122-I126 WeakPolarHBondContact O-CA 3.46Å; L122-I126 PolarHBondContact O-N 3Å |
| 123 | K | 84.5 | Confident | 87.9 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 37% | 0.37 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.7 | -50.8 | 176.7 | 177.7 | -170.8 | 172.7 | -171 | 0 | 111.1 | L30 Q119 N120 F121 R125 | L30-K123 HydrophobicContact CB-CD 4.45Å; L30-K123 HydrophobicContact CD1-CD 4.21Å; L30-K123 HydrophobicContact CD2-CD 4.41Å; Q119-K123 WeakPolarHBondContact O-CB 3.34Å; Q119-K123 PolarHBondContact O-N 2.93Å; N120-K123 PolarHBondContact O-N 3.15Å; F121-K123 PolarHBondContact O-N 2.89Å; K123-R125 VanDerWaalsContact C-N 3.26Å; K123-R125 PolarHBondContact O-N 2.73Å |
| 124 | N | 85.8 | Confident | 88.3 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -73.6 | -18.3 | -177.1 | -66.4 | -10.6 | 0 | 0 | 0 | 112.9 | N120 F121 L122 | N120-N124 WeakPolarHBondContact O-CB 3.41Å; N120-N124 VanDerWaalsContact O-CG 3.28Å; N120-N124 PolarHBondContact O-N 3.27Å; F121-N124 PolarHBondContact O-N 3.03Å; L122-N124 PolarHBondContact O-N 3.35Å |
| 125 | R | 87.6 | Confident | 88.7 | Confident | 142 Ų | 142 | 67.9 Ų | 67.9 | 54% | 0.536 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -116.3 | 15 | -179 | -57.5 | -57.9 | -169 | -170.7 | 4.3 | 114.2 | F121 L122 K123 Q127 V128 L129 | F121-R125 HydrophobicContact CD2-CG 4.18Å; F121-R125 HydrophobicContact CE1-CG 4.39Å; F121-R125 HydrophobicContact CE2-CG 3.96Å; F121-R125 HydrophobicContact CG-CG 4.5Å; F121-R125 HydrophobicContact CZ-CG 4.07Å; F121-R125 WeakPolarHBondContact O-CB 3.47Å; F121-R125 VanDerWaalsContact O-CG 3.3Å; F121-R125 WeakPolarHBondContact O-CG 3.3Å; F121-R125 PolarHBondContact O-N 3.33Å; L122-R125 CarbonylContact O-C 3.59Å; L122-R125 PolarHBondContact O-N 3Å; K123-R125 VanDerWaalsContact C-N 3.26Å; K123-R125 PolarHBondContact O-N 2.73Å; R125-Q127 PolarHBondContact O-N 3.2Å; R125-Q127 VanDerWaalsContact O-N 3.13Å; R125-V128 HydrophobicContact CB-CB 4.3Å; R125-V128 HydrophobicContact CB-CG2 4.05Å; R125-V128 WeakPolarHBondContact O-CA 3.44Å; R125-V128 VanDerWaalsContact O-CB 3.23Å; R125-V128 WeakPolarHBondContact O-CB 3.26Å; R125-V128 PolarHBondContact O-N 3.17Å; R125-L129 PolarHBondContact O-N 2.99Å |
| 126 | I | 88.8 | Confident | 88.9 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.8 | -33.1 | -179.9 | -173 | 168.2 | 0 | 0 | 0 | 112.7 | L34 L94 L122 V128 L129 Y130 | L34-I126 HydrophobicContact CD1-CD1 3.59Å; L34-I126 HydrophobicContact CD1-CG2 4.37Å; L34-I126 HydrophobicContact CD2-CD1 3.86Å; L34-I126 HydrophobicContact CG-CD1 3.7Å; L94-I126 HydrophobicContact CD1-CD1 4.11Å; L122-I126 WeakPolarHBondContact O-CA 3.46Å; L122-I126 PolarHBondContact O-N 3Å; I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3Å; I126-L129 WeakPolarHBondContact O-CB 3.42Å; I126-L129 PolarHBondContact O-N 2.93Å; I126-L129 VanDerWaalsContact O-N 3.17Å; I126-Y130 HydrophobicContact CD1-CD2 4.47Å; I126-Y130 HydrophobicContact CD1-CE2 4.06Å; I126-Y130 HydrophobicContact CG1-CD2 3.94Å; I126-Y130 HydrophobicContact CG1-CE2 4.04Å; I126-Y130 PolarHBondContact O-N 3.2Å |
| 127 | Q | 89.5 | Confident | 89.2 | Confident | 133 Ų | 133 | 69 Ų | 69 | 62% | 0.621 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.9 | -30.2 | 173.4 | -62.7 | -174.1 | -7.8 | 0 | 0 | 113.2 | R125 R131 | R125-Q127 PolarHBondContact O-N 3.2Å; R125-Q127 VanDerWaalsContact O-N 3.13Å; Q127-R131 WeakPolarHBondContact O-CB 3.32Å; Q127-R131 WeakPolarHBondContact O-CG 3.06Å; Q127-R131 PolarHBondContact O-N 2.73Å; Q127-R131 PolarHBondContact O-NE 3.29Å |
| 128 | V | 91.7 | Very high | 89.4 | Confident | 70 Ų | 70 | 68.8 Ų | 68.8 | 42% | 0.424 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 173.4 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | R125 I126 R131 A132 | R125-V128 HydrophobicContact CB-CB 4.3Å; R125-V128 HydrophobicContact CB-CG2 4.05Å; R125-V128 WeakPolarHBondContact O-CA 3.44Å; R125-V128 VanDerWaalsContact O-CB 3.23Å; R125-V128 WeakPolarHBondContact O-CB 3.26Å; R125-V128 PolarHBondContact O-N 3.17Å; I126-V128 VanDerWaalsContact C-N 3.27Å; I126-V128 PolarHBondContact O-N 3Å; V128-R131 PolarHBondContact O-N 3.46Å; V128-A132 WeakPolarHBondContact O-CB 3.27Å; V128-A132 PolarHBondContact O-N 3.12Å |
| 129 | L | 92 | Very high | 89.5 | Confident | 31 Ų | 31 | 68 Ų | 68 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59 | -53 | 174.9 | -172.2 | 67.5 | 0 | 0 | 0 | 110.8 | V90 F93 L94 R125 I126 R131 A132 F133 | V90-L129 HydrophobicContact CG1-CD2 3.89Å; V90-L129 HydrophobicContact CG1-CG 4.49Å; F93-L129 HydrophobicContact CD1-CD1 3.86Å; F93-L129 HydrophobicContact CD1-CD2 3.91Å; F93-L129 HydrophobicContact CD1-CG 4.46Å; F93-L129 HydrophobicContact CE1-CD1 3.64Å; F93-L129 HydrophobicContact CE1-CD2 4.21Å; L94-L129 HydrophobicContact CD2-CD2 4.11Å; L94-L129 HydrophobicContact CG-CD2 4.35Å; R125-L129 PolarHBondContact O-N 2.99Å; I126-L129 WeakPolarHBondContact O-CB 3.42Å; I126-L129 PolarHBondContact O-N 2.93Å; I126-L129 VanDerWaalsContact O-N 3.17Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.35Å; L129-A132 WeakPolarHBondContact O-CB 3.31Å; L129-A132 PolarHBondContact O-N 3.28Å; L129-F133 HydrophobicContact CD1-CD2 4.16Å; L129-F133 HydrophobicContact CD1-CE2 3.75Å; L129-F133 HydrophobicContact CG-CD2 4.18Å; L129-F133 HydrophobicContact CG-CE2 4.04Å; L129-F133 WeakPolarHBondContact O-CD2 3.28Å; L129-F133 PolarHBondContact O-N 3.46Å; L129-F133 VanDerWaalsContact O-N 3.09Å |
| 130 | Y | 92.4 | Very high | 89.5 | Confident | 53 Ų | 53 | 69 Ų | 69 | 21% | 0.208 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54 | -46.6 | 174.9 | -92.6 | -80 | 0 | 0 | 0 | 112.8 | N38 V86 I87 V90 I126 A132 F133 V134 | N38-Y130 PolarHBondContact OD1-OH 3.48Å; V86-Y130 HydrophobicContact CG1-CD1 3.77Å; V86-Y130 HydrophobicContact CG1-CE1 4.06Å; I87-Y130 HydrophobicContact CG1-CE1 3.93Å; V90-Y130 HydrophobicContact CB-CE1 4.27Å; V90-Y130 HydrophobicContact CB-CE2 4.37Å; V90-Y130 HydrophobicContact CG1-CD2 4.26Å; V90-Y130 HydrophobicContact CG1-CE2 3.75Å; V90-Y130 HydrophobicContact CG2-CD1 4.05Å; V90-Y130 HydrophobicContact CG2-CD2 4.49Å; V90-Y130 HydrophobicContact CG2-CE1 3.99Å; V90-Y130 HydrophobicContact CG2-CE2 4.44Å; V90-Y130 HydrophobicContact CG2-CG 4.29Å; I126-Y130 HydrophobicContact CD1-CD2 4.47Å; I126-Y130 HydrophobicContact CD1-CE2 4.06Å; I126-Y130 HydrophobicContact CG1-CD2 3.94Å; I126-Y130 HydrophobicContact CG1-CE2 4.04Å; I126-Y130 PolarHBondContact O-N 3.2Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 3.21Å; Y130-F133 PolarHBondContact O-N 3.43Å; Y130-V134 WeakPolarHBondContact O-CG2 3.44Å; Y130-V134 PolarHBondContact O-N 2.84Å; Y130-V134 VanDerWaalsContact O-N 3.1Å |
| 131 | R | 93 | Very high | 89.5 | Confident | 130 Ų | 130 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63 | -37.4 | 176.2 | -74.6 | -175 | -64.8 | -100.1 | 3.3 | 112.6 | Q127 V128 L129 V134 V135 | Q127-R131 WeakPolarHBondContact O-CB 3.32Å; Q127-R131 WeakPolarHBondContact O-CG 3.06Å; Q127-R131 PolarHBondContact O-N 2.73Å; Q127-R131 PolarHBondContact O-NE 3.29Å; V128-R131 PolarHBondContact O-N 3.46Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 3.35Å; R131-V134 PolarHBondContact O-N 3.24Å; R131-V135 WeakPolarHBondContact O-CB 3.49Å; R131-V135 VanDerWaalsContact O-CG2 3.23Å; R131-V135 WeakPolarHBondContact O-CG2 3.48Å; R131-V135 PolarHBondContact O-N 3.38Å |
| 132 | A | 93.5 | Very high | 89.5 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V128 L129 Y130 V135 R136 | V128-A132 WeakPolarHBondContact O-CB 3.27Å; V128-A132 PolarHBondContact O-N 3.12Å; L129-A132 WeakPolarHBondContact O-CB 3.31Å; L129-A132 PolarHBondContact O-N 3.28Å; Y130-A132 VanDerWaalsContact C-N 3.34Å; Y130-A132 PolarHBondContact O-N 3.21Å; A132-V135 PolarHBondContact O-N 2.91Å; A132-R136 WeakPolarHBondContact O-CB 3.31Å; A132-R136 PolarHBondContact O-N 3.45Å |
| 133 | F | 93.2 | Very high | 89.3 | Confident | 18 Ų | 18 | 74.4 Ų | 74.4 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.4 | -44.5 | 173.9 | -85.3 | -92.5 | 0 | 0 | 0 | 112 | V86 Q89 V90 F93 L129 Y130 R136 D137 I169 | V86-F133 HydrophobicContact CG1-CB 4.28Å; Q89-F133 HydrophobicContact CB-CD1 3.92Å; Q89-F133 HydrophobicContact CB-CE1 3.75Å; Q89-F133 VanDerWaalsContact OE1-CD1 3.32Å; V90-F133 HydrophobicContact CG2-CB 4.42Å; V90-F133 HydrophobicContact CG2-CD2 3.7Å; V90-F133 HydrophobicContact CG2-CE2 4.09Å; V90-F133 HydrophobicContact CG2-CG 4Å; F93-F133 HydrophobicContact CB-CZ 4.09Å; F93-F133 HydrophobicContact CG-CZ 4.37Å; L129-F133 HydrophobicContact CD1-CD2 4.16Å; L129-F133 HydrophobicContact CD1-CE2 3.75Å; L129-F133 HydrophobicContact CG-CD2 4.18Å; L129-F133 HydrophobicContact CG-CE2 4.04Å; L129-F133 WeakPolarHBondContact O-CD2 3.28Å; L129-F133 PolarHBondContact O-N 3.46Å; L129-F133 VanDerWaalsContact O-N 3.09Å; Y130-F133 PolarHBondContact O-N 3.43Å; F133-R136 VanDerWaalsContact CD1-NH1 3.28Å; F133-R136 PolarHBondContact O-N 2.67Å; F133-R136 PolarHBondContact O-NH2 2.84Å; F133-D137 PolarHBondContact O-N 3.03Å; F133-I169 HydrophobicContact CE1-CD1 4.04Å; F133-I169 HydrophobicContact CE1-CG2 4.21Å |
| 134 | V | 93.3 | Very high | 89 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 26% | 0.255 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 177 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | V86 Y130 R131 R136 D137 F138 | V86-V134 HydrophobicContact CG1-CG2 3.94Å; V86-V134 HydrophobicContact CG2-CG2 4.12Å; Y130-V134 WeakPolarHBondContact O-CG2 3.44Å; Y130-V134 PolarHBondContact O-N 2.84Å; Y130-V134 VanDerWaalsContact O-N 3.1Å; R131-V134 PolarHBondContact O-N 3.24Å; V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.16Å; V134-D137 PolarHBondContact O-N 3.3Å; V134-F138 HydrophobicContact CG1-CD2 3.58Å; V134-F138 HydrophobicContact CG1-CE2 3.55Å; V134-F138 WeakPolarHBondContact O-CD2 3.35Å; V134-F138 PolarHBondContact O-N 3.38Å |
| 135 | V | 93.2 | Very high | 88.8 | Confident | 86 Ų | 86 | 71.1 Ų | 71.1 | 52% | 0.521 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 177.7 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | R131 A132 D137 F138 V139 | R131-V135 WeakPolarHBondContact O-CB 3.49Å; R131-V135 VanDerWaalsContact O-CG2 3.23Å; R131-V135 WeakPolarHBondContact O-CG2 3.48Å; R131-V135 PolarHBondContact O-N 3.38Å; A132-V135 PolarHBondContact O-N 2.91Å; V135-D137 VanDerWaalsContact C-N 3.3Å; V135-D137 PolarHBondContact O-N 2.92Å; V135-F138 PolarHBondContact O-N 2.94Å; V135-V139 HydrophobicContact CG1-CG2 4.1Å; V135-V139 WeakPolarHBondContact O-CB 3.33Å; V135-V139 WeakPolarHBondContact O-CG2 3.43Å; V135-V139 PolarHBondContact O-N 3.46Å |
| 136 | R | 91.4 | Very high | 88.4 | Confident | 48 Ų | 48 | 71 Ų | 71 | 18% | 0.181 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 174 | 175.7 | -144.9 | 60.4 | -151.4 | -13 | 111.6 | A132 F133 V134 V139 F140 | A132-R136 WeakPolarHBondContact O-CB 3.31Å; A132-R136 PolarHBondContact O-N 3.45Å; F133-R136 VanDerWaalsContact CD1-NH1 3.28Å; F133-R136 PolarHBondContact O-N 2.67Å; F133-R136 PolarHBondContact O-NH2 2.84Å; V134-R136 VanDerWaalsContact C-N 3.34Å; V134-R136 PolarHBondContact O-N 3.16Å; R136-V139 PolarHBondContact O-N 3Å; R136-F140 PolarHBondContact O-N 3.46Å; R136-F140 VanDerWaalsContact O-N 3.14Å |
| 137 | D | 89.7 | Confident | 87.6 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69 | -43.9 | -179.7 | -66.3 | -19.9 | 0 | 0 | 0 | 112.3 | Y82 F133 V134 V135 V139 F140 V141 | Y82-D137 HydrophobicContact CE2-CB 4.37Å; Y82-D137 PolarHBondContact OH-OD2 2.94Å; F133-D137 PolarHBondContact O-N 3.03Å; V134-D137 PolarHBondContact O-N 3.3Å; V135-D137 VanDerWaalsContact C-N 3.3Å; V135-D137 PolarHBondContact O-N 2.92Å; D137-V139 VanDerWaalsContact C-N 3.3Å; D137-V139 PolarHBondContact O-N 2.9Å; D137-F140 WeakPolarHBondContact O-CB 3.24Å; D137-F140 PolarHBondContact O-N 3.02Å; D137-V141 WeakPolarHBondContact O-CG2 3.43Å; D137-V141 PolarHBondContact O-N 3.24Å |
| 138 | F | 89.5 | Confident | 86.4 | Confident | 119 Ų | 119 | 70.8 Ų | 70.8 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 175.5 | -84.1 | -68.4 | 0 | 0 | 0 | 112.6 | V134 V135 F140 V141 I142 | V134-F138 HydrophobicContact CG1-CD2 3.58Å; V134-F138 HydrophobicContact CG1-CE2 3.55Å; V134-F138 WeakPolarHBondContact O-CD2 3.35Å; V134-F138 PolarHBondContact O-N 3.38Å; V135-F138 PolarHBondContact O-N 2.94Å; F138-F140 VanDerWaalsContact C-N 3.33Å; F138-F140 PolarHBondContact O-N 3.38Å; F138-V141 PolarHBondContact O-N 2.99Å; F138-I142 WeakPolarHBondContact O-CD1 3.37Å; F138-I142 VanDerWaalsContact O-CG1 3.24Å; F138-I142 WeakPolarHBondContact O-CG1 3.26Å; F138-I142 PolarHBondContact O-N 3.19Å |
| 139 | V | 88.3 | Confident | 85.1 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.5 | 167.1 | 0 | 0 | 0 | 0 | 110.6 | V135 R136 D137 I142 Y143 | V135-V139 HydrophobicContact CG1-CG2 4.1Å; V135-V139 WeakPolarHBondContact O-CB 3.33Å; V135-V139 WeakPolarHBondContact O-CG2 3.43Å; V135-V139 PolarHBondContact O-N 3.46Å; R136-V139 PolarHBondContact O-N 3Å; D137-V139 VanDerWaalsContact C-N 3.3Å; D137-V139 PolarHBondContact O-N 2.9Å; V139-I142 PolarHBondContact O-N 3.46Å; V139-Y143 HydrophobicContact CG1-CD2 3.77Å; V139-Y143 HydrophobicContact CG1-CE2 3.48Å; V139-Y143 VanDerWaalsContact CG1-CE2 3.48Å; V139-Y143 WeakPolarHBondContact O-CD2 3.43Å; V139-Y143 PolarHBondContact O-N 3.34Å; V139-Y143 VanDerWaalsContact O-N 3.13Å |
| 140 | F | 85.2 | Confident | 83.8 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 17% | 0.171 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.1 | -48.6 | 174.3 | 176.5 | -115.3 | 0 | 0 | 0 | 112.4 | R136 D137 F138 I142 Y143 T144 Y162 | R136-F140 PolarHBondContact O-N 3.46Å; R136-F140 VanDerWaalsContact O-N 3.14Å; D137-F140 WeakPolarHBondContact O-CB 3.24Å; D137-F140 PolarHBondContact O-N 3.02Å; F138-F140 VanDerWaalsContact C-N 3.33Å; F138-F140 PolarHBondContact O-N 3.38Å; F140-I142 VanDerWaalsContact C-N 3.29Å; F140-I142 PolarHBondContact O-N 3.41Å; F140-Y143 PolarHBondContact O-N 3.04Å; F140-T144 HydrophobicContact CD1-CG2 4.41Å; F140-T144 HydrophobicContact CD2-CG2 4.07Å; F140-T144 HydrophobicContact CE1-CG2 3.91Å; F140-T144 HydrophobicContact CE2-CG2 3.51Å; F140-T144 HydrophobicContact CG-CG2 4.49Å; F140-T144 HydrophobicContact CZ-CG2 3.43Å; F140-T144 VanDerWaalsContact CZ-CG2 3.43Å; F140-T144 PolarHBondContact O-N 3.01Å; F140-T144 PolarHBondContact O-OG1 3.46Å; F140-Y162 HydrophobicContact CB-CD2 3.71Å; F140-Y162 HydrophobicContact CB-CE2 4.06Å; F140-Y162 HydrophobicContact CB-CG 4.41Å; F140-Y162 AromaticContact CD1-CD1 3.92Å; F140-Y162 HydrophobicContact CD1-CD1 3.92Å; F140-Y162 AromaticContact CD1-CD2 3.66Å; F140-Y162 HydrophobicContact CD1-CD2 3.66Å; F140-Y162 HydrophobicContact CD1-CE1 4.07Å; F140-Y162 AromaticContact CD1-CE2 3.82Å; F140-Y162 HydrophobicContact CD1-CE2 3.82Å; F140-Y162 AromaticContact CD1-CG 3.71Å; F140-Y162 HydrophobicContact CD1-CG 3.71Å; F140-Y162 VanDerWaalsContact CD2-CB 3.46Å; F140-Y162 HydrophobicContact CD2-CD1 4.48Å; F140-Y162 AromaticContact CD2-CD2 3.85Å; F140-Y162 HydrophobicContact CD2-CD2 3.85Å; F140-Y162 AromaticContact CD2-CG 3.69Å; F140-Y162 HydrophobicContact CD2-CG 3.69Å; F140-Y162 AromaticContact CE1-CD1 3.64Å; F140-Y162 HydrophobicContact CE1-CD1 3.64Å; F140-Y162 HydrophobicContact CE1-CD2 4.22Å; F140-Y162 AromaticContact CE1-CE1 3.95Å; F140-Y162 HydrophobicContact CE1-CE1 3.95Å; F140-Y162 HydrophobicContact CE1-CE2 4.5Å; F140-Y162 AromaticContact CE1-CG 3.79Å; F140-Y162 HydrophobicContact CE1-CG 3.79Å; F140-Y162 HydrophobicContact CE2-CD1 4.24Å; F140-Y162 HydrophobicContact CE2-CD2 4.39Å; F140-Y162 AromaticContact CE2-CG 3.77Å; F140-Y162 HydrophobicContact CE2-CG 3.77Å; F140-Y162 HydrophobicContact CG-CD1 4.33Å; F140-Y162 AromaticContact CG-CD2 3.44Å; F140-Y162 HydrophobicContact CG-CD2 3.44Å; F140-Y162 VanDerWaalsContact CG-CD2 3.44Å; F140-Y162 AromaticContact CG-CE2 3.96Å; F140-Y162 HydrophobicContact CG-CE2 3.96Å; F140-Y162 AromaticContact CG-CG 3.65Å; F140-Y162 HydrophobicContact CG-CG 3.65Å; F140-Y162 AromaticContact CZ-CD1 3.81Å; F140-Y162 HydrophobicContact CZ-CD1 3.81Å; F140-Y162 AromaticContact CZ-CG 3.81Å; F140-Y162 HydrophobicContact CZ-CG 3.81Å |
| 141 | V | 85.1 | Confident | 82.5 | Confident | 75 Ų | 75 | 80.3 Ų | 80.3 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 178.5 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | D137 F138 Y143 T144 V145 | D137-V141 WeakPolarHBondContact O-CG2 3.43Å; D137-V141 PolarHBondContact O-N 3.24Å; F138-V141 PolarHBondContact O-N 2.99Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; V141-T144 PolarHBondContact O-OG1 3.08Å; V141-T144 VanDerWaalsContact O-OG1 3.07Å; V141-V145 HydrophobicContact CG1-CG2 4.43Å; V141-V145 WeakPolarHBondContact O-CB 3.5Å; V141-V145 VanDerWaalsContact O-CG2 3.28Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 3.21Å; V141-V145 VanDerWaalsContact O-N 3.12Å |
| 142 | I | 85.2 | Confident | 81.5 | Confident | 92 Ų | 92 | 79.5 Ų | 79.5 | 47% | 0.472 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 175.7 | -69 | 163 | 0 | 0 | 0 | 111.2 | F138 V139 F140 K146 | F138-I142 WeakPolarHBondContact O-CD1 3.37Å; F138-I142 VanDerWaalsContact O-CG1 3.24Å; F138-I142 WeakPolarHBondContact O-CG1 3.26Å; F138-I142 PolarHBondContact O-N 3.19Å; V139-I142 PolarHBondContact O-N 3.46Å; F140-I142 VanDerWaalsContact C-N 3.29Å; F140-I142 PolarHBondContact O-N 3.41Å; I142-K146 HydrophobicContact CG2-CD 4.34Å; I142-K146 WeakPolarHBondContact O-CB 3.21Å; I142-K146 WeakPolarHBondContact O-CG 3.47Å; I142-K146 PolarHBondContact O-N 3.37Å |
| 143 | Y | 82.1 | Confident | 80.4 | Confident | 122 Ų | 122 | 86.5 Ų | 86.5 | 48% | 0.478 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -72.5 | -39.9 | 176.9 | -76.7 | -59.4 | 0 | 0 | 0 | 112.8 | V139 F140 V141 K146 S147 | V139-Y143 HydrophobicContact CG1-CD2 3.77Å; V139-Y143 HydrophobicContact CG1-CE2 3.48Å; V139-Y143 VanDerWaalsContact CG1-CE2 3.48Å; V139-Y143 WeakPolarHBondContact O-CD2 3.43Å; V139-Y143 PolarHBondContact O-N 3.34Å; V139-Y143 VanDerWaalsContact O-N 3.13Å; F140-Y143 PolarHBondContact O-N 3.04Å; V141-Y143 VanDerWaalsContact C-N 3.34Å; Y143-K146 PolarHBondContact O-N 3.1Å; Y143-S147 WeakPolarHBondContact O-CB 2.87Å; Y143-S147 PolarHBondContact O-N 3.48Å |
| 144 | T | 78.6 | Confident | 79.4 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 17% | 0.172 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 177 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | F140 V141 K146 S147 D148 F155 | F140-T144 HydrophobicContact CD1-CG2 4.41Å; F140-T144 HydrophobicContact CD2-CG2 4.07Å; F140-T144 HydrophobicContact CE1-CG2 3.91Å; F140-T144 HydrophobicContact CE2-CG2 3.51Å; F140-T144 HydrophobicContact CG-CG2 4.49Å; F140-T144 HydrophobicContact CZ-CG2 3.43Å; F140-T144 VanDerWaalsContact CZ-CG2 3.43Å; F140-T144 PolarHBondContact O-N 3.01Å; F140-T144 PolarHBondContact O-OG1 3.46Å; V141-T144 PolarHBondContact O-OG1 3.08Å; V141-T144 VanDerWaalsContact O-OG1 3.07Å; T144-K146 VanDerWaalsContact C-N 3.28Å; T144-K146 PolarHBondContact O-N 2.91Å; T144-S147 PolarHBondContact O-N 3.31Å; T144-D148 PolarHBondContact O-N 3.11Å; T144-F155 HydrophobicContact CG2-CE2 4.07Å |
| 145 | V | 80.7 | Confident | 78.5 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 64% | 0.642 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.8 | -33.5 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 112.5 | V141 | V141-V145 HydrophobicContact CG1-CG2 4.43Å; V141-V145 WeakPolarHBondContact O-CB 3.5Å; V141-V145 VanDerWaalsContact O-CG2 3.28Å; V141-V145 WeakPolarHBondContact O-CG2 3.45Å; V141-V145 PolarHBondContact O-N 3.21Å; V141-V145 VanDerWaalsContact O-N 3.12Å |
| 146 | K | 79.7 | Confident | 77.6 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -76.6 | -34.6 | 174.9 | -76.8 | -177.1 | 175.7 | -168.9 | 0 | 113.6 | I142 Y143 T144 D148 S149 | I142-K146 HydrophobicContact CG2-CD 4.34Å; I142-K146 WeakPolarHBondContact O-CB 3.21Å; I142-K146 WeakPolarHBondContact O-CG 3.47Å; I142-K146 PolarHBondContact O-N 3.37Å; Y143-K146 PolarHBondContact O-N 3.1Å; T144-K146 VanDerWaalsContact C-N 3.28Å; T144-K146 PolarHBondContact O-N 2.91Å; K146-D148 VanDerWaalsContact C-N 3.28Å; K146-D148 PolarHBondContact O-N 2.8Å; K146-S149 PolarHBondContact O-OG 3.32Å |
| 147 | S | 71.5 | Confident | 76.9 | Confident | 13 Ų | 13 | 93.3 Ų | 93.3 | 9% | 0.091 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75.3 | -18.3 | -177.8 | -160.2 | 0 | 0 | 0 | 0 | 113 | Y143 T144 S149 E150 H154 F155 | Y143-S147 WeakPolarHBondContact O-CB 2.87Å; Y143-S147 PolarHBondContact O-N 3.48Å; T144-S147 PolarHBondContact O-N 3.31Å; S147-S149 PolarHBondContact O-N 3.09Å; S147-E150 CarbonylContact O-C 3.35Å; S147-E150 PolarHBondContact O-N 2.69Å; S147-E150 PolarHBondContact OG-O 3.35Å; S147-H154 WeakPolarHBondContact OG-CB 3.49Å; S147-F155 WeakPolarHBondContact OG-CA 3.08Å; S147-F155 PolarHBondContact OG-N 3.32Å |
| 148 | D | 65.4 | Low | 76.3 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 78% | 0.775 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.9 | 176.5 | -149.7 | 32.3 | 0 | 0 | 0 | 112.5 | T144 K146 | T144-D148 PolarHBondContact O-N 3.11Å; K146-D148 VanDerWaalsContact C-N 3.28Å; K146-D148 PolarHBondContact O-N 2.8Å |
| 149 | S | 65.1 | Low | 75.9 | Confident | 100 Ų | 100 | 90.7 Ų | 90.7 | 70% | 0.699 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -11.8 | 170.1 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | K146 S147 | K146-S149 PolarHBondContact O-OG 3.32Å; S147-S149 PolarHBondContact O-N 3.09Å |
| 150 | E | 63.9 | Low | 75.5 | Confident | 139 Ų | 139 | 90.6 Ų | 90.6 | 65% | 0.65 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -141.3 | 108.9 | -170.7 | -67.5 | -172.9 | 171.6 | 0 | 0 | 112.5 | S147 | S147-E150 CarbonylContact O-C 3.35Å; S147-E150 PolarHBondContact O-N 2.69Å; S147-E150 PolarHBondContact OG-O 3.35Å |
| 151 | N | 65.9 | Low | 75.4 | Confident | 115 Ų | 115 | 93.1 Ų | 93.1 | 62% | 0.615 | 48% | 0.479 | S | S | * | . | trans | 51.3 | 106.5 | 166.5 | -68.6 | -42.7 | 0 | 0 | 0 | 116.8 | W153 H154 | N151-W153 PolarHBondContact O-N 2.9Å; N151-H154 PolarHBondContact O-N 2.83Å | ||
| 152 | V | 72.1 | Confident | 75.4 | Confident | 114 Ų | 114 | 91 Ų | 91 | 69% | 0.691 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -43.1 | -39.9 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 113.7 | H154 F155 T156 | V152-H154 VanDerWaalsContact C-N 3.3Å; V152-H154 PolarHBondContact O-N 3.4Å; V152-F155 WeakPolarHBondContact O-CB 3.43Å; V152-F155 PolarHBondContact O-N 2.86Å; V152-T156 PolarHBondContact O-N 3.38Å; V152-T156 PolarHBondContact O-OG1 3.37Å |
| 153 | W | 70.4 | Confident | 75.2 | Confident | 202 Ų | 202 | 87.2 Ų | 87.2 | 77% | 0.765 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.3 | -34.6 | 177.5 | -70.8 | 110.2 | 0 | 0 | 0 | 114.6 | N151 N157 | N151-W153 PolarHBondContact O-N 2.9Å; W153-N157 WeakPolarHBondContact O-CB 3.45Å; W153-N157 VanDerWaalsContact O-CG 3.3Å; W153-N157 PolarHBondContact O-N 3.39Å; W153-N157 PolarHBondContact O-ND2 3.19Å |
| 154 | H | 71.5 | Confident | 75.2 | Confident | 107 Ų | 107 | 86.4 Ų | 86.4 | 50% | 0.495 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.6 | -45.4 | 175.5 | -78.6 | -94 | 0 | 0 | 0 | 110.6 | S147 N151 V152 T156 N157 H158 | S147-H154 WeakPolarHBondContact OG-CB 3.49Å; N151-H154 PolarHBondContact O-N 2.83Å; V152-H154 VanDerWaalsContact C-N 3.3Å; V152-H154 PolarHBondContact O-N 3.4Å; H154-T156 PolarHBondContact O-N 3.39Å; H154-N157 PolarHBondContact O-N 3.46Å; H154-H158 PolarHBondContact O-CD2 3.22Å; H154-H158 PolarHBondContact O-N 3.18Å |
| 155 | F | 73.4 | Confident | 75.6 | Confident | 61 Ų | 61 | 89.3 Ų | 89.3 | 27% | 0.268 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.4 | -52.1 | 177.3 | -179.9 | -92.8 | 0 | 0 | 0 | 111.3 | T144 S147 V152 N157 H158 T159 | T144-F155 HydrophobicContact CG2-CE2 4.07Å; S147-F155 WeakPolarHBondContact OG-CA 3.08Å; S147-F155 PolarHBondContact OG-N 3.32Å; V152-F155 WeakPolarHBondContact O-CB 3.43Å; V152-F155 PolarHBondContact O-N 2.86Å; F155-N157 VanDerWaalsContact C-N 3.35Å; F155-N157 PolarHBondContact O-N 3.47Å; F155-H158 PolarHBondContact O-N 2.97Å; F155-T159 WeakPolarHBondContact O-CB 3.33Å; F155-T159 PolarHBondContact O-N 2.66Å; F155-T159 PolarHBondContact O-OG1 2.9Å |
| 156 | T | 74.7 | Confident | 75.8 | Confident | 65 Ų | 65 | 84.6 Ų | 84.6 | 40% | 0.399 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | V152 H154 H158 T159 V160 | V152-T156 PolarHBondContact O-N 3.38Å; V152-T156 PolarHBondContact O-OG1 3.37Å; H154-T156 PolarHBondContact O-N 3.39Å; T156-H158 PolarHBondContact O-N 2.83Å; T156-T159 PolarHBondContact O-N 2.94Å; T156-V160 HydrophobicContact CG2-CG2 4.49Å; T156-V160 WeakPolarHBondContact O-CB 3.33Å; T156-V160 VanDerWaalsContact O-CG2 3.31Å; T156-V160 WeakPolarHBondContact O-CG2 3.35Å; T156-V160 PolarHBondContact O-N 2.97Å |
| 157 | N | 76.2 | Confident | 75.9 | Confident | 103 Ų | 103 | 80.7 Ų | 80.7 | 55% | 0.551 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 179 | -78.1 | -37.2 | 0 | 0 | 0 | 112.6 | W153 H154 F155 L161 | W153-N157 WeakPolarHBondContact O-CB 3.45Å; W153-N157 VanDerWaalsContact O-CG 3.3Å; W153-N157 PolarHBondContact O-N 3.39Å; W153-N157 PolarHBondContact O-ND2 3.19Å; H154-N157 PolarHBondContact O-N 3.46Å; F155-N157 VanDerWaalsContact C-N 3.35Å; F155-N157 PolarHBondContact O-N 3.47Å; N157-L161 WeakPolarHBondContact O-CB 3.32Å; N157-L161 PolarHBondContact O-N 2.92Å |
| 158 | H | 79 | Confident | 76.5 | Confident | 60 Ų | 60 | 82.9 Ų | 82.9 | 28% | 0.278 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 176.6 | -73.3 | -57.4 | 0 | 0 | 0 | 112.3 | H154 F155 T156 L161 Y162 | H154-H158 PolarHBondContact O-CD2 3.22Å; H154-H158 PolarHBondContact O-N 3.18Å; F155-H158 PolarHBondContact O-N 2.97Å; T156-H158 PolarHBondContact O-N 2.83Å; H158-L161 PolarHBondContact O-N 3.34Å; H158-Y162 PolarHBondContact O-N 3.2Å |
| 159 | T | 80.3 | Confident | 77.5 | Confident | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.08 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65 | -40 | 177.2 | -66.9 | 0 | 0 | 0 | 0 | 112 | F155 T156 S163 L234 | F155-T159 WeakPolarHBondContact O-CB 3.33Å; F155-T159 PolarHBondContact O-N 2.66Å; F155-T159 PolarHBondContact O-OG1 2.9Å; T156-T159 PolarHBondContact O-N 2.94Å; T159-S163 WeakPolarHBondContact O-CB 3.43Å; T159-S163 PolarHBondContact O-N 3.11Å; T159-S163 PolarHBondContact O-OG 3.04Å; T159-L234 HydrophobicContact CG2-CD2 3.6Å |
| 160 | V | 80 | Confident | 78.4 | Confident | 65 Ų | 65 | 73 Ų | 73 | 39% | 0.394 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.2 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | T156 Y162 S163 I164 | T156-V160 HydrophobicContact CG2-CG2 4.49Å; T156-V160 WeakPolarHBondContact O-CB 3.33Å; T156-V160 VanDerWaalsContact O-CG2 3.31Å; T156-V160 WeakPolarHBondContact O-CG2 3.35Å; T156-V160 PolarHBondContact O-N 2.97Å; V160-Y162 PolarHBondContact O-N 3.05Å; V160-S163 WeakPolarHBondContact O-CB 3.38Å; V160-S163 PolarHBondContact O-N 2.7Å; V160-I164 HydrophobicContact CG1-CD1 3.91Å; V160-I164 WeakPolarHBondContact O-CG1 3.36Å; V160-I164 PolarHBondContact O-N 3.21Å |
| 161 | L | 83.2 | Confident | 79.4 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 48% | 0.482 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 178.5 | 179.2 | 145.2 | 0 | 0 | 0 | 112.4 | N157 H158 S163 I164 M165 | N157-L161 WeakPolarHBondContact O-CB 3.32Å; N157-L161 PolarHBondContact O-N 2.92Å; H158-L161 PolarHBondContact O-N 3.34Å; L161-S163 VanDerWaalsContact C-N 3.34Å; L161-I164 PolarHBondContact O-N 3.28Å; L161-M165 HydrophobicContact CD2-CE 3.65Å; L161-M165 HydrophobicContact CD2-SD 4.05Å; L161-M165 HydrophobicContact CG-CE 4.31Å; L161-M165 WeakPolarHBondContact O-CG 3.09Å; L161-M165 PolarHBondContact O-N 3.5Å |
| 162 | Y | 84.6 | Confident | 80.5 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 12% | 0.118 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.5 | 177.8 | -100.6 | 0 | 0 | 0 | 111.9 | F140 H158 V160 I164 M165 F166 L238 | F140-Y162 HydrophobicContact CB-CD2 3.71Å; F140-Y162 HydrophobicContact CB-CE2 4.06Å; F140-Y162 HydrophobicContact CB-CG 4.41Å; F140-Y162 AromaticContact CD1-CD1 3.92Å; F140-Y162 HydrophobicContact CD1-CD1 3.92Å; F140-Y162 AromaticContact CD1-CD2 3.66Å; F140-Y162 HydrophobicContact CD1-CD2 3.66Å; F140-Y162 HydrophobicContact CD1-CE1 4.07Å; F140-Y162 AromaticContact CD1-CE2 3.82Å; F140-Y162 HydrophobicContact CD1-CE2 3.82Å; F140-Y162 AromaticContact CD1-CG 3.71Å; F140-Y162 HydrophobicContact CD1-CG 3.71Å; F140-Y162 VanDerWaalsContact CD2-CB 3.46Å; F140-Y162 HydrophobicContact CD2-CD1 4.48Å; F140-Y162 AromaticContact CD2-CD2 3.85Å; F140-Y162 HydrophobicContact CD2-CD2 3.85Å; F140-Y162 AromaticContact CD2-CG 3.69Å; F140-Y162 HydrophobicContact CD2-CG 3.69Å; F140-Y162 AromaticContact CE1-CD1 3.64Å; F140-Y162 HydrophobicContact CE1-CD1 3.64Å; F140-Y162 HydrophobicContact CE1-CD2 4.22Å; F140-Y162 AromaticContact CE1-CE1 3.95Å; F140-Y162 HydrophobicContact CE1-CE1 3.95Å; F140-Y162 HydrophobicContact CE1-CE2 4.5Å; F140-Y162 AromaticContact CE1-CG 3.79Å; F140-Y162 HydrophobicContact CE1-CG 3.79Å; F140-Y162 HydrophobicContact CE2-CD1 4.24Å; F140-Y162 HydrophobicContact CE2-CD2 4.39Å; F140-Y162 AromaticContact CE2-CG 3.77Å; F140-Y162 HydrophobicContact CE2-CG 3.77Å; F140-Y162 HydrophobicContact CG-CD1 4.33Å; F140-Y162 AromaticContact CG-CD2 3.44Å; F140-Y162 HydrophobicContact CG-CD2 3.44Å; F140-Y162 VanDerWaalsContact CG-CD2 3.44Å; F140-Y162 AromaticContact CG-CE2 3.96Å; F140-Y162 HydrophobicContact CG-CE2 3.96Å; F140-Y162 AromaticContact CG-CG 3.65Å; F140-Y162 HydrophobicContact CG-CG 3.65Å; F140-Y162 AromaticContact CZ-CD1 3.81Å; F140-Y162 HydrophobicContact CZ-CD1 3.81Å; F140-Y162 AromaticContact CZ-CG 3.81Å; F140-Y162 HydrophobicContact CZ-CG 3.81Å; H158-Y162 PolarHBondContact O-N 3.2Å; V160-Y162 PolarHBondContact O-N 3.05Å; Y162-I164 PolarHBondContact O-N 2.82Å; Y162-M165 PolarHBondContact O-N 3.02Å; Y162-F166 HydrophobicContact CE1-CD2 4.43Å; Y162-F166 WeakPolarHBondContact O-CB 3.17Å; Y162-F166 PolarHBondContact O-N 3.23Å; Y162-L238 HydrophobicContact CD1-CD1 4.13Å; Y162-L238 HydrophobicContact CE1-CD1 4.17Å |
| 163 | S | 81.6 | Confident | 81.2 | Confident | 13 Ų | 13 | 61.5 Ų | 61.5 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.4 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | T159 V160 L161 M165 F166 V167 L234 | T159-S163 WeakPolarHBondContact O-CB 3.43Å; T159-S163 PolarHBondContact O-N 3.11Å; T159-S163 PolarHBondContact O-OG 3.04Å; V160-S163 WeakPolarHBondContact O-CB 3.38Å; V160-S163 PolarHBondContact O-N 2.7Å; L161-S163 VanDerWaalsContact C-N 3.34Å; S163-M165 VanDerWaalsContact C-N 3.35Å; S163-M165 PolarHBondContact O-N 2.83Å; S163-F166 PolarHBondContact O-N 3.16Å; S163-V167 WeakPolarHBondContact O-CB 3.44Å; S163-V167 WeakPolarHBondContact O-CG2 3.39Å; S163-V167 PolarHBondContact O-N 3.19Å; S163-L234 WeakPolarHBondContact OG-CD2 3.49Å |
| 164 | I | 82.3 | Confident | 81.9 | Confident | 104 Ų | 104 | 54.3 Ų | 54.3 | 53% | 0.533 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 174.9 | -68 | 164.6 | 0 | 0 | 0 | 110.2 | V160 L161 Y162 S168 | V160-I164 HydrophobicContact CG1-CD1 3.91Å; V160-I164 WeakPolarHBondContact O-CG1 3.36Å; V160-I164 PolarHBondContact O-N 3.21Å; L161-I164 PolarHBondContact O-N 3.28Å; Y162-I164 PolarHBondContact O-N 2.82Å; I164-S168 VanDerWaalsContact O-CB 3.23Å; I164-S168 WeakPolarHBondContact O-CB 3.46Å; I164-S168 PolarHBondContact O-N 3.43Å; I164-S168 PolarHBondContact O-OG 2.89Å |
| 165 | M | 85.4 | Confident | 82.8 | Confident | 90 Ų | 90 | 52.4 Ų | 52.4 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.3 | -70.6 | -175.4 | 177.5 | 0 | 0 | 112.4 | L161 Y162 S163 S168 I169 | L161-M165 HydrophobicContact CD2-CE 3.65Å; L161-M165 HydrophobicContact CD2-SD 4.05Å; L161-M165 HydrophobicContact CG-CE 4.31Å; L161-M165 WeakPolarHBondContact O-CG 3.09Å; L161-M165 PolarHBondContact O-N 3.5Å; Y162-M165 PolarHBondContact O-N 3.02Å; S163-M165 VanDerWaalsContact C-N 3.35Å; S163-M165 PolarHBondContact O-N 2.83Å; M165-S168 PolarHBondContact O-N 3.37Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 3.1Å; M165-I169 VanDerWaalsContact O-N 3.16Å |
| 166 | F | 85.6 | Confident | 83.5 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -54.2 | 177.2 | -178.8 | -73.4 | 0 | 0 | 0 | 111.2 | F85 Y162 S163 S168 I169 D170 L238 I241 A242 | F85-F166 HydrophobicContact CE2-CD2 4.39Å; F85-F166 AromaticContact CE2-CE2 3.54Å; F85-F166 HydrophobicContact CE2-CE2 3.54Å; F85-F166 HydrophobicContact CE2-CZ 4.21Å; F85-F166 HydrophobicContact CZ-CD2 4.07Å; F85-F166 AromaticContact CZ-CE2 3.63Å; F85-F166 HydrophobicContact CZ-CE2 3.63Å; Y162-F166 HydrophobicContact CE1-CD2 4.43Å; Y162-F166 WeakPolarHBondContact O-CB 3.17Å; Y162-F166 PolarHBondContact O-N 3.23Å; S163-F166 PolarHBondContact O-N 3.16Å; F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 2.99Å; F166-I169 PolarHBondContact O-N 3.21Å; F166-I169 VanDerWaalsContact O-N 3.11Å; F166-D170 WeakPolarHBondContact CE1-OD2 3.23Å; F166-D170 PolarHBondContact O-N 2.97Å; F166-L238 HydrophobicContact CB-CD2 4.41Å; F166-L238 HydrophobicContact CD1-CD2 3.68Å; F166-L238 HydrophobicContact CD2-CD2 4.43Å; F166-L238 HydrophobicContact CE1-CD2 3.99Å; F166-L238 HydrophobicContact CG-CD2 3.95Å; F166-L238 HydrophobicContact CZ-CD2 4.46Å; F166-I241 HydrophobicContact CE1-CB 4.22Å; F166-I241 HydrophobicContact CE1-CG2 3.67Å; F166-I241 HydrophobicContact CZ-CB 4.42Å; F166-I241 HydrophobicContact CZ-CG2 4.12Å; F166-A242 HydrophobicContact CE2-CB 4.21Å; F166-A242 HydrophobicContact CZ-CB 4.01Å |
| 167 | V | 82.6 | Confident | 84.2 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 35% | 0.345 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.2 | -35.6 | -179.2 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | S163 I169 D170 N171 | S163-V167 WeakPolarHBondContact O-CB 3.44Å; S163-V167 WeakPolarHBondContact O-CG2 3.39Å; S163-V167 PolarHBondContact O-N 3.19Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.25Å; V167-D170 PolarHBondContact O-N 3.42Å; V167-N171 VanDerWaalsContact O-CG 3.3Å; V167-N171 PolarHBondContact O-N 2.87Å; V167-N171 PolarHBondContact O-ND2 2.82Å |
| 168 | S | 83.7 | Confident | 84.8 | Confident | 58 Ų | 58 | 45.9 Ų | 45.9 | 41% | 0.406 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.3 | -35.6 | 174.6 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | I164 M165 F166 N171 | I164-S168 VanDerWaalsContact O-CB 3.23Å; I164-S168 WeakPolarHBondContact O-CB 3.46Å; I164-S168 PolarHBondContact O-N 3.43Å; I164-S168 PolarHBondContact O-OG 2.89Å; M165-S168 PolarHBondContact O-N 3.37Å; F166-S168 VanDerWaalsContact C-N 3.29Å; F166-S168 PolarHBondContact O-N 2.99Å; S168-N171 PolarHBondContact O-N 3.12Å |
| 169 | I | 86.5 | Confident | 85.2 | Confident | 21 Ų | 21 | 46 Ų | 46 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.4 | -38.3 | 178.1 | -68.8 | 165.1 | 0 | 0 | 0 | 111.2 | Q89 F133 M165 F166 V167 N171 F172 | Q89-I169 HydrophobicContact CB-CG2 4.26Å; Q89-I169 HydrophobicContact CG-CG2 4.34Å; F133-I169 HydrophobicContact CE1-CD1 4.04Å; F133-I169 HydrophobicContact CE1-CG2 4.21Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 3.1Å; M165-I169 VanDerWaalsContact O-N 3.16Å; F166-I169 PolarHBondContact O-N 3.21Å; F166-I169 VanDerWaalsContact O-N 3.11Å; V167-I169 VanDerWaalsContact C-N 3.29Å; V167-I169 PolarHBondContact O-N 3.25Å; I169-N171 VanDerWaalsContact C-N 3.32Å; I169-F172 HydrophobicContact CB-CD2 4.4Å; I169-F172 HydrophobicContact CG1-CE2 4.19Å; I169-F172 HydrophobicContact CG2-CD2 4.38Å; I169-F172 VanDerWaalsContact O-CB 3.3Å; I169-F172 WeakPolarHBondContact O-CB 3.33Å; I169-F172 WeakPolarHBondContact O-CD2 3.36Å; I169-F172 PolarHBondContact O-N 3.15Å |
| 170 | D | 83.4 | Confident | 85.5 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 9% | 0.086 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -32.4 | 174.1 | -81.8 | -19.3 | 0 | 0 | 0 | 112.5 | H92 F166 V167 F172 I173 N245 | H92-D170 IonicContact CE1-OD1 3.17Å; H92-D170 PolarHBondContact CE1-OD1 3.03Å; H92-D170 IonicContact ND1-OD1 3Å; H92-D170 PolarHBondContact ND1-OD1 3.41Å; F166-D170 WeakPolarHBondContact CE1-OD2 3.23Å; F166-D170 PolarHBondContact O-N 2.97Å; V167-D170 PolarHBondContact O-N 3.42Å; D170-F172 PolarHBondContact O-N 2.86Å; D170-F172 VanDerWaalsContact O-N 3.15Å; D170-I173 VanDerWaalsContact O-CG2 3.31Å; D170-I173 WeakPolarHBondContact O-CG2 3.49Å; D170-I173 PolarHBondContact O-N 3Å; D170-I173 VanDerWaalsContact O-N 3.08Å; D170-N245 VanDerWaalsContact CG-ND2 3.29Å; D170-N245 PolarHBondContact OD1-ND2 3.44Å; D170-N245 PolarHBondContact OD2-ND2 3.39Å |
| 171 | N | 84.8 | Confident | 85.7 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.6 | -25.3 | 173.1 | -77.1 | -34.3 | 0 | 0 | 0 | 113.5 | V167 S168 I169 I173 F174 I175 | V167-N171 VanDerWaalsContact O-CG 3.3Å; V167-N171 PolarHBondContact O-N 2.87Å; V167-N171 PolarHBondContact O-ND2 2.82Å; S168-N171 PolarHBondContact O-N 3.12Å; I169-N171 VanDerWaalsContact C-N 3.32Å; N171-I173 PolarHBondContact O-N 3.47Å; N171-F174 PolarHBondContact O-N 2.91Å; N171-F174 VanDerWaalsContact O-N 3.12Å; N171-I175 WeakPolarHBondContact O-CG1 3.4Å; N171-I175 PolarHBondContact O-N 2.99Å |
| 172 | F | 89.2 | Confident | 85.8 | Confident | 50 Ų | 50 | 44.5 Ų | 44.5 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.3 | -32.7 | 174 | -70.5 | -42.4 | 0 | 0 | 0 | 113 | F93 F96 I169 D170 I175 S176 | F93-F172 HydrophobicContact CD2-CD2 4.03Å; F93-F172 AromaticContact CD2-CE2 3.78Å; F93-F172 HydrophobicContact CD2-CE2 3.78Å; F93-F172 HydrophobicContact CD2-CZ 4.36Å; F93-F172 HydrophobicContact CE2-CE2 4.34Å; F96-F172 HydrophobicContact CB-CB 3.73Å; F96-F172 HydrophobicContact CB-CG 4.3Å; F96-F172 HydrophobicContact CD1-CB 4.47Å; F96-F172 AromaticContact CD1-CD1 3.75Å; F96-F172 HydrophobicContact CD1-CD1 3.75Å; F96-F172 HydrophobicContact CD1-CE1 4.17Å; F96-F172 HydrophobicContact CD1-CG 4.15Å; F96-F172 HydrophobicContact CD2-CB 4.43Å; F96-F172 HydrophobicContact CD2-CD1 4.13Å; F96-F172 AromaticContact CE1-CD1 3.91Å; F96-F172 HydrophobicContact CE1-CD1 3.91Å; F96-F172 AromaticContact CE1-CE1 3.98Å; F96-F172 HydrophobicContact CE1-CE1 3.98Å; F96-F172 HydrophobicContact CE2-CD1 4.29Å; F96-F172 HydrophobicContact CG-CB 3.97Å; F96-F172 AromaticContact CG-CD1 3.86Å; F96-F172 HydrophobicContact CG-CD1 3.86Å; F96-F172 HydrophobicContact CG-CG 4.11Å; F96-F172 HydrophobicContact CZ-CD1 4.19Å; F96-F172 HydrophobicContact CZ-CE1 4.35Å; I169-F172 HydrophobicContact CB-CD2 4.4Å; I169-F172 HydrophobicContact CG1-CE2 4.19Å; I169-F172 HydrophobicContact CG2-CD2 4.38Å; I169-F172 VanDerWaalsContact O-CB 3.3Å; I169-F172 WeakPolarHBondContact O-CB 3.33Å; I169-F172 WeakPolarHBondContact O-CD2 3.36Å; I169-F172 PolarHBondContact O-N 3.15Å; D170-F172 PolarHBondContact O-N 2.86Å; D170-F172 VanDerWaalsContact O-N 3.15Å; F172-I175 HydrophobicContact CD1-CD1 4.48Å; F172-S176 WeakPolarHBondContact O-CB 3.45Å; F172-S176 PolarHBondContact O-N 2.85Å |
| 173 | I | 87 | Confident | 85.7 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.4 | -37.7 | 178.7 | -150.2 | -177.3 | 0 | 0 | 0 | 111.9 | D170 N171 S176 A177 V212 K216 | D170-I173 VanDerWaalsContact O-CG2 3.31Å; D170-I173 WeakPolarHBondContact O-CG2 3.49Å; D170-I173 PolarHBondContact O-N 3Å; D170-I173 VanDerWaalsContact O-N 3.08Å; N171-I173 PolarHBondContact O-N 3.47Å; I173-S176 PolarHBondContact O-N 2.92Å; I173-S176 PolarHBondContact O-OG 3.04Å; I173-A177 PolarHBondContact O-N 3.3Å; I173-V212 HydrophobicContact CD1-CG1 4.06Å; I173-V212 HydrophobicContact CD1-CG2 4.14Å; I173-V212 HydrophobicContact CG1-CG1 3.97Å; I173-V212 HydrophobicContact CG1-CG2 4.41Å; I173-V212 HydrophobicContact CG2-CG1 4.36Å; I173-K216 HydrophobicContact CD1-CD 4.44Å; I173-K216 HydrophobicContact CD1-CG 4.3Å; I173-K216 HydrophobicContact CG2-CD 4.24Å; I173-K216 HydrophobicContact CG2-CG 3.93Å |
| 174 | F | 85.9 | Confident | 85.8 | Confident | 50 Ų | 50 | 46 Ų | 46 | 22% | 0.219 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.9 | -43.7 | 175.7 | -70.5 | -77.8 | 0 | 0 | 0 | 111.2 | N171 S176 A177 V178 K216 V220 | N171-F174 PolarHBondContact O-N 2.91Å; N171-F174 VanDerWaalsContact O-N 3.12Å; F174-S176 VanDerWaalsContact C-N 3.27Å; F174-S176 PolarHBondContact O-N 3.48Å; F174-A177 WeakPolarHBondContact O-CB 3.34Å; F174-A177 PolarHBondContact O-N 3.07Å; F174-A177 VanDerWaalsContact O-N 3.09Å; F174-V178 WeakPolarHBondContact O-CG2 3.43Å; F174-V178 PolarHBondContact O-N 3.25Å; F174-K216 HydrophobicContact CE1-CB 3.73Å; F174-K216 HydrophobicContact CE2-CB 4.18Å; F174-K216 HydrophobicContact CZ-CB 3.5Å; F174-K216 WeakPolarHBondContact CZ-O 3.48Å; F174-V220 HydrophobicContact CZ-CG2 4.48Å |
| 175 | I | 88.8 | Confident | 85.8 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 35% | 0.349 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -39.9 | 174.6 | -58.5 | 164 | 0 | 0 | 0 | 110.1 | F96 N171 F172 A177 V178 F179 | F96-I175 HydrophobicContact CD2-CB 4.19Å; F96-I175 HydrophobicContact CD2-CG2 4.04Å; F96-I175 HydrophobicContact CE2-CB 4.19Å; F96-I175 HydrophobicContact CE2-CG2 3.63Å; N171-I175 WeakPolarHBondContact O-CG1 3.4Å; N171-I175 PolarHBondContact O-N 2.99Å; F172-I175 HydrophobicContact CD1-CD1 4.48Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 3.39Å; I175-V178 PolarHBondContact O-N 3.37Å; I175-F179 HydrophobicContact CG2-CD1 4.34Å; I175-F179 HydrophobicContact CG2-CD2 4.29Å; I175-F179 HydrophobicContact CG2-CE1 3.96Å; I175-F179 HydrophobicContact CG2-CE2 3.9Å; I175-F179 HydrophobicContact CG2-CG 4.5Å; I175-F179 HydrophobicContact CG2-CZ 3.73Å; I175-F179 WeakPolarHBondContact O-CG 3.45Å; I175-F179 PolarHBondContact O-N 3.02Å |
| 176 | S | 89.7 | Confident | 85.5 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 174.5 | 87.3 | 0 | 0 | 0 | 0 | 112.6 | F172 I173 F174 F179 Y180 | F172-S176 WeakPolarHBondContact O-CB 3.45Å; F172-S176 PolarHBondContact O-N 2.85Å; I173-S176 PolarHBondContact O-N 2.92Å; I173-S176 PolarHBondContact O-OG 3.04Å; F174-S176 VanDerWaalsContact C-N 3.27Å; F174-S176 PolarHBondContact O-N 3.48Å; S176-F179 PolarHBondContact O-N 2.67Å; S176-Y180 WeakPolarHBondContact O-CD2 3.33Å; S176-Y180 PolarHBondContact O-N 3.34Å; S176-Y180 VanDerWaalsContact O-N 3.09Å |
| 177 | A | 87.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I173 F174 I175 Y180 T209 V212 | I173-A177 PolarHBondContact O-N 3.3Å; F174-A177 WeakPolarHBondContact O-CB 3.34Å; F174-A177 PolarHBondContact O-N 3.07Å; F174-A177 VanDerWaalsContact O-N 3.09Å; I175-A177 VanDerWaalsContact C-N 3.32Å; I175-A177 PolarHBondContact O-N 3.39Å; A177-Y180 PolarHBondContact O-N 3.38Å; A177-T209 HydrophobicContact CB-CG2 4.21Å; A177-V212 HydrophobicContact CB-CG1 4.02Å |
| 178 | V | 88.5 | Confident | 84.9 | Confident | 88 Ų | 88 | 47.1 Ų | 47.1 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.9 | -44.6 | 173.6 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | F174 I175 Y180 I181 P182 | F174-V178 WeakPolarHBondContact O-CG2 3.43Å; F174-V178 PolarHBondContact O-N 3.25Å; I175-V178 PolarHBondContact O-N 3.37Å; V178-Y180 PolarHBondContact O-N 2.89Å; V178-I181 WeakPolarHBondContact O-CB 3.28Å; V178-I181 PolarHBondContact O-N 3.5Å; V178-P182 WeakPolarHBondContact O-CD 3.44Å |
| 179 | F | 88.5 | Confident | 84.6 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 27% | 0.272 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.4 | -26.6 | 176 | -75.1 | -4.1 | 0 | 0 | 0 | 113.8 | F96 A99 A100 V103 I175 S176 I181 P182 I183 | F96-F179 HydrophobicContact CD2-CE2 4.37Å; F96-F179 HydrophobicContact CE2-CD2 4.35Å; F96-F179 AromaticContact CE2-CE2 3.69Å; F96-F179 HydrophobicContact CE2-CE2 3.69Å; F96-F179 HydrophobicContact CE2-CZ 4.41Å; F96-F179 HydrophobicContact CZ-CE2 4.46Å; A99-F179 HydrophobicContact CB-CB 4.02Å; A99-F179 HydrophobicContact CB-CD2 4.29Å; A100-F179 HydrophobicContact CB-CD2 4.22Å; A100-F179 HydrophobicContact CB-CE2 3.94Å; V103-F179 HydrophobicContact CG2-CB 3.76Å; V103-F179 HydrophobicContact CG2-CD2 4.46Å; V103-F179 HydrophobicContact CG2-CG 4.03Å; I175-F179 HydrophobicContact CG2-CD1 4.34Å; I175-F179 HydrophobicContact CG2-CD2 4.29Å; I175-F179 HydrophobicContact CG2-CE1 3.96Å; I175-F179 HydrophobicContact CG2-CE2 3.9Å; I175-F179 HydrophobicContact CG2-CG 4.5Å; I175-F179 HydrophobicContact CG2-CZ 3.73Å; I175-F179 WeakPolarHBondContact O-CG 3.45Å; I175-F179 PolarHBondContact O-N 3.02Å; S176-F179 PolarHBondContact O-N 2.67Å; F179-I181 VanDerWaalsContact C-N 3.32Å; F179-I181 PolarHBondContact O-N 2.95Å; F179-P182 VanDerWaalsContact O-CD 3.31Å; F179-P182 WeakPolarHBondContact O-CD 3.26Å; F179-P182 WeakPolarHBondContact O-CG 3.36Å; F179-I183 WeakPolarHBondContact O-CD1 3.47Å; F179-I183 WeakPolarHBondContact O-CG1 3.41Å |
| 180 | Y | 85.4 | Confident | 84 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73 | -18.8 | 173.4 | -77.6 | -54.6 | 0 | 0 | 0 | 114.2 | A99 S176 A177 V178 I183 Y184 I205 K208 T209 | A99-Y180 HydrophobicContact CB-CE1 4.45Å; A99-Y180 HydrophobicContact CB-CE2 4.13Å; S176-Y180 WeakPolarHBondContact O-CD2 3.33Å; S176-Y180 PolarHBondContact O-N 3.34Å; S176-Y180 VanDerWaalsContact O-N 3.09Å; A177-Y180 PolarHBondContact O-N 3.38Å; V178-Y180 PolarHBondContact O-N 2.89Å; Y180-I183 HydrophobicContact CD1-CD1 3.96Å; Y180-I183 HydrophobicContact CE1-CD1 4.35Å; Y180-Y184 VanDerWaalsContact O-CB 3.31Å; Y180-Y184 WeakPolarHBondContact O-CB 2.96Å; Y180-Y184 PolarHBondContact O-N 3.29Å; Y180-I205 HydrophobicContact CD1-CG2 3.82Å; Y180-I205 HydrophobicContact CG-CG2 4.06Å; Y180-K208 HydrophobicContact CD2-CD 4.47Å; Y180-K208 HydrophobicContact CE2-CD 3.81Å; Y180-K208 PolarHBondContact OH-NZ 3.47Å; Y180-T209 WeakPolarHBondContact CB-OG1 3.05Å |
| 181 | I | 85.9 | Confident | 83.4 | Confident | 89 Ų | 89 | 54.5 Ų | 54.5 | 46% | 0.456 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65 | -54.9 | 177 | -57.7 | 173.9 | 0 | 0 | 0 | 112.5 | V178 F179 I183 Y184 V185 T209 | V178-I181 WeakPolarHBondContact O-CB 3.28Å; V178-I181 PolarHBondContact O-N 3.5Å; F179-I181 VanDerWaalsContact C-N 3.32Å; F179-I181 PolarHBondContact O-N 2.95Å; I181-I183 VanDerWaalsContact C-N 3.3Å; I181-I183 PolarHBondContact O-N 2.92Å; I181-Y184 WeakPolarHBondContact O-CB 3.29Å; I181-Y184 PolarHBondContact O-N 2.9Å; I181-Y184 VanDerWaalsContact O-N 3.14Å; I181-V185 PolarHBondContact O-N 3.39Å; I181-T209 HydrophobicContact CG1-CG2 4.48Å |
| 182 | P | 84.2 | Confident | 83 | Confident | 45 Ų | 45 | 58.9 Ų | 58.9 | 29% | 0.292 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | 176.9 | 25 | -33.5 | 0 | 0 | 0 | 111.9 | F107 V178 F179 Y184 V185 S186 | F107-P182 HydrophobicContact CE2-CB 4.29Å; F107-P182 HydrophobicContact CZ-CB 4.15Å; V178-P182 WeakPolarHBondContact O-CD 3.44Å; F179-P182 VanDerWaalsContact O-CD 3.31Å; F179-P182 WeakPolarHBondContact O-CD 3.26Å; F179-P182 WeakPolarHBondContact O-CG 3.36Å; P182-Y184 VanDerWaalsContact C-N 3.34Å; P182-Y184 PolarHBondContact O-N 2.6Å; P182-V185 PolarHBondContact O-N 2.74Å; P182-S186 WeakPolarHBondContact O-CB 3.39Å; P182-S186 PolarHBondContact O-N 2.94Å; P182-S186 PolarHBondContact O-OG 3.29Å |
| 183 | I | 83.1 | Confident | 82.4 | Confident | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 172.6 | -62.5 | 168.4 | 0 | 0 | 0 | 110.2 | R102 V103 F179 Y180 I181 S186 V187 I205 | R102-I183 HydrophobicContact CB-CD1 3.58Å; V103-I183 HydrophobicContact CG2-CD1 3.86Å; V103-I183 HydrophobicContact CG2-CG1 4.01Å; F179-I183 WeakPolarHBondContact O-CD1 3.47Å; F179-I183 WeakPolarHBondContact O-CG1 3.41Å; Y180-I183 HydrophobicContact CD1-CD1 3.96Å; Y180-I183 HydrophobicContact CE1-CD1 4.35Å; I181-I183 VanDerWaalsContact C-N 3.3Å; I181-I183 PolarHBondContact O-N 2.92Å; I183-S186 WeakPolarHBondContact O-CB 3.32Å; I183-S186 PolarHBondContact O-N 3.49Å; I183-V187 HydrophobicContact CG2-CG2 4.05Å; I183-V187 WeakPolarHBondContact O-CB 3.28Å; I183-V187 VanDerWaalsContact O-CG2 3.28Å; I183-V187 WeakPolarHBondContact O-CG2 3.41Å; I183-V187 PolarHBondContact O-N 3.27Å; I183-I205 HydrophobicContact CG2-CD1 3.99Å |
| 184 | Y | 82.9 | Confident | 81.4 | Confident | 63 Ų | 63 | 63.3 Ų | 63.3 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 178.7 | 172.7 | -92.1 | 0 | 0 | 0 | 112.4 | Y180 I181 P182 S186 V187 R188 Q202 F206 | Y180-Y184 VanDerWaalsContact O-CB 3.31Å; Y180-Y184 WeakPolarHBondContact O-CB 2.96Å; Y180-Y184 PolarHBondContact O-N 3.29Å; I181-Y184 WeakPolarHBondContact O-CB 3.29Å; I181-Y184 PolarHBondContact O-N 2.9Å; I181-Y184 VanDerWaalsContact O-N 3.14Å; P182-Y184 VanDerWaalsContact C-N 3.34Å; P182-Y184 PolarHBondContact O-N 2.6Å; Y184-S186 PolarHBondContact O-N 2.86Å; Y184-V187 PolarHBondContact O-N 2.84Å; Y184-R188 VanDerWaalsContact O-CB 3.26Å; Y184-R188 WeakPolarHBondContact O-CB 3.37Å; Y184-R188 PolarHBondContact O-N 2.85Å; Y184-Q202 HydrophobicContact CD2-CB 4.11Å; Y184-Q202 WeakPolarHBondContact CD2-O 3.15Å; Y184-Q202 HydrophobicContact CE2-CB 3.97Å; Y184-Q202 WeakPolarHBondContact CE2-O 3.38Å; Y184-F206 HydrophobicContact CD2-CB 4.05Å; Y184-F206 HydrophobicContact CE2-CB 3.84Å; Y184-F206 HydrophobicContact CE2-CD2 4.09Å; Y184-F206 HydrophobicContact CE2-CG 4.29Å |
| 185 | V | 82.3 | Confident | 80.5 | Confident | 73 Ų | 73 | 64.7 Ų | 64.7 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.2 | -41.7 | 177.1 | 173 | 0 | 0 | 0 | 0 | 110.7 | I181 P182 K189 | I181-V185 PolarHBondContact O-N 3.39Å; P182-V185 PolarHBondContact O-N 2.74Å; V185-K189 PolarHBondContact O-N 2.81Å |
| 186 | S | 79.1 | Confident | 79.2 | Confident | 11 Ų | 11 | 62 Ų | 62 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67 | -52.5 | 179.5 | -69 | 0 | 0 | 0 | 0 | 113.5 | Y106 P182 I183 Y184 R188 K189 | Y106-S186 VanDerWaalsContact CE1-CB 3.46Å; Y106-S186 WeakPolarHBondContact CE1-OG 3.41Å; Y106-S186 WeakPolarHBondContact OH-CB 3.48Å; P182-S186 WeakPolarHBondContact O-CB 3.39Å; P182-S186 PolarHBondContact O-N 2.94Å; P182-S186 PolarHBondContact O-OG 3.29Å; I183-S186 WeakPolarHBondContact O-CB 3.32Å; I183-S186 PolarHBondContact O-N 3.49Å; Y184-S186 PolarHBondContact O-N 2.86Å; S186-R188 PolarHBondContact O-N 3.39Å; S186-K189 WeakPolarHBondContact O-CB 3.15Å; S186-K189 PolarHBondContact O-N 2.87Å |
| 187 | V | 77.9 | Confident | 78 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.2 | -32.7 | 176.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | I183 Y184 K189 L190 A191 P201 Q202 | I183-V187 HydrophobicContact CG2-CG2 4.05Å; I183-V187 WeakPolarHBondContact O-CB 3.28Å; I183-V187 VanDerWaalsContact O-CG2 3.28Å; I183-V187 WeakPolarHBondContact O-CG2 3.41Å; I183-V187 PolarHBondContact O-N 3.27Å; Y184-V187 PolarHBondContact O-N 2.84Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.31Å; V187-L190 CarbonylContact O-C 3.47Å; V187-L190 PolarHBondContact O-N 2.85Å; V187-L190 VanDerWaalsContact O-N 3.12Å; V187-A191 PolarHBondContact O-N 3.25Å; V187-P201 HydrophobicContact CG1-CG 4.01Å; V187-Q202 HydrophobicContact CG1-CB 4.14Å |
| 188 | R | 77.9 | Confident | 77 | Confident | 170 Ų | 170 | 74.7 Ų | 74.7 | 64% | 0.642 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.9 | -34.2 | 174.5 | -176.4 | 178.3 | 174.7 | -168.3 | -2.5 | 112.6 | Y184 S186 L190 A191 | Y184-R188 VanDerWaalsContact O-CB 3.26Å; Y184-R188 WeakPolarHBondContact O-CB 3.37Å; Y184-R188 PolarHBondContact O-N 2.85Å; S186-R188 PolarHBondContact O-N 3.39Å; R188-L190 VanDerWaalsContact C-N 3.26Å; R188-L190 PolarHBondContact O-N 3.5Å; R188-A191 VanDerWaalsContact O-CB 3.25Å; R188-A191 WeakPolarHBondContact O-CB 3.34Å; R188-A191 PolarHBondContact O-N 3.34Å |
| 189 | K | 77.3 | Confident | 75.9 | Confident | 151 Ų | 151 | 76.2 Ų | 76.2 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -65.6 | -30.4 | 174.1 | -66.5 | 175.6 | -179.8 | -177.7 | 0 | 112.1 | V185 S186 V187 A191 Y192 | V185-K189 PolarHBondContact O-N 2.81Å; S186-K189 WeakPolarHBondContact O-CB 3.15Å; S186-K189 PolarHBondContact O-N 2.87Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.31Å; K189-A191 VanDerWaalsContact C-N 3.34Å; K189-Y192 VanDerWaalsContact O-CD1 3.29Å; K189-Y192 WeakPolarHBondContact O-CD1 3.41Å; K189-Y192 WeakPolarHBondContact O-CE1 3.37Å |
| 190 | L | 73.3 | Confident | 75 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 36% | 0.356 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 4 | 178.8 | -62 | 175.3 | 0 | 0 | 0 | 113.7 | V187 R188 Y192 L193 | V187-L190 CarbonylContact O-C 3.47Å; V187-L190 PolarHBondContact O-N 2.85Å; V187-L190 VanDerWaalsContact O-N 3.12Å; R188-L190 VanDerWaalsContact C-N 3.26Å; R188-L190 PolarHBondContact O-N 3.5Å; L190-Y192 HydrophobicContact CD2-CE1 4.41Å; L190-Y192 PolarHBondContact O-N 3Å; L190-L193 HydrophobicContact CB-CD1 4.02Å; L190-L193 HydrophobicContact CD2-CD1 3.98Å; L190-L193 PolarHBondContact O-N 2.72Å; L190-L193 VanDerWaalsContact O-N 3.12Å |
| 191 | A | 72.1 | Confident | 74.3 | Confident | 31 Ų | 31 | 79.7 Ų | 79.7 | 26% | 0.256 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -6.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V187 R188 K189 Q197 | V187-A191 PolarHBondContact O-N 3.25Å; R188-A191 VanDerWaalsContact O-CB 3.25Å; R188-A191 WeakPolarHBondContact O-CB 3.34Å; R188-A191 PolarHBondContact O-N 3.34Å; K189-A191 VanDerWaalsContact C-N 3.34Å; A191-Q197 WeakPolarHBondContact O-CG 3.42Å |
| 192 | Y | 75.1 | Confident | 73.7 | Confident | 165 Ų | 165 | 76.9 Ų | 76.9 | 65% | 0.647 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -24.2 | 173.3 | 67.3 | -89.3 | 0 | 0 | 0 | 113 | K189 L190 Q197 | K189-Y192 VanDerWaalsContact O-CD1 3.29Å; K189-Y192 WeakPolarHBondContact O-CD1 3.41Å; K189-Y192 WeakPolarHBondContact O-CE1 3.37Å; L190-Y192 HydrophobicContact CD2-CE1 4.41Å; L190-Y192 PolarHBondContact O-N 3Å; Y192-Q197 PolarHBondContact O-NE2 2.97Å |
| 193 | L | 77.8 | Confident | 73.2 | Confident | 74 Ų | 74 | 79.4 Ų | 79.4 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -68.3 | 135.4 | 179.4 | -76 | 141.3 | 0 | 0 | 0 | 111.5 | L190 S195 A196 Q197 | L190-L193 HydrophobicContact CB-CD1 4.02Å; L190-L193 HydrophobicContact CD2-CD1 3.98Å; L190-L193 PolarHBondContact O-N 2.72Å; L190-L193 VanDerWaalsContact O-N 3.12Å; L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 3.39Å; L193-A196 HydrophobicContact CB-CB 4.44Å; L193-A196 WeakPolarHBondContact O-CA 3.29Å; L193-A196 WeakPolarHBondContact O-CB 3.31Å; L193-A196 PolarHBondContact O-N 3.4Å; L193-Q197 PolarHBondContact O-N 3.41Å |
| 194 | A | 65.3 | Low | 73 | Confident | 75 Ų | 75 | 83 Ų | 83 | 62% | 0.62 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -53.6 | -42.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A196 Q197 E198 | A194-A196 VanDerWaalsContact C-N 3.28Å; A194-A196 PolarHBondContact O-N 3.3Å; A194-Q197 WeakPolarHBondContact O-CB 3.42Å; A194-Q197 PolarHBondContact O-N 3.25Å; A194-Q197 VanDerWaalsContact O-N 3.09Å; A194-E198 PolarHBondContact O-N 2.92Å |
| 195 | S | 66.7 | Low | 72.9 | Confident | 78 Ų | 78 | 80.2 Ų | 80.2 | 55% | 0.545 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.6 | -30.5 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | L193 N199 | L193-S195 VanDerWaalsContact C-N 3.3Å; L193-S195 PolarHBondContact O-N 3.39Å; S195-N199 PolarHBondContact O-N 3.02Å; S195-N199 PolarHBondContact O-ND2 3.45Å; S195-N199 VanDerWaalsContact O-ND2 3.16Å |
| 196 | A | 61.7 | Low | 72.8 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -81.4 | -29.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L193 A194 K200 | L193-A196 HydrophobicContact CB-CB 4.44Å; L193-A196 WeakPolarHBondContact O-CA 3.29Å; L193-A196 WeakPolarHBondContact O-CB 3.31Å; L193-A196 PolarHBondContact O-N 3.4Å; A194-A196 VanDerWaalsContact C-N 3.28Å; A194-A196 PolarHBondContact O-N 3.3Å; A196-K200 VanDerWaalsContact O-CA 3.27Å; A196-K200 WeakPolarHBondContact O-CA 3.46Å; A196-K200 PolarHBondContact O-N 3.38Å |
| 197 | Q | 65 | Low | 73 | Confident | 111 Ų | 111 | 84.4 Ų | 84.4 | 52% | 0.519 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.2 | -36.3 | 172.2 | -64.3 | -172.9 | 17 | 0 | 0 | 112.3 | A191 Y192 L193 A194 K200 | A191-Q197 WeakPolarHBondContact O-CG 3.42Å; Y192-Q197 PolarHBondContact O-NE2 2.97Å; L193-Q197 PolarHBondContact O-N 3.41Å; A194-Q197 WeakPolarHBondContact O-CB 3.42Å; A194-Q197 PolarHBondContact O-N 3.25Å; A194-Q197 VanDerWaalsContact O-N 3.09Å; Q197-K200 WeakPolarHBondContact O-CE 3.33Å; Q197-K200 VanDerWaalsContact O-CG 3.26Å; Q197-K200 WeakPolarHBondContact O-CG 3.32Å |
| 198 | E | 66 | Low | 73.2 | Confident | 159 Ų | 159 | 84 Ų | 84 | 74% | 0.743 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -73.8 | -59 | 178.8 | -172.8 | 172.4 | -158 | 0 | 0 | 111.4 | A194 | A194-E198 PolarHBondContact O-N 2.92Å |
| 199 | N | 65.6 | Low | 73.6 | Confident | 121 Ų | 121 | 76.7 Ų | 76.7 | 65% | 0.647 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -80.1 | -19.3 | -173.1 | -68.1 | -67 | 0 | 0 | 0 | 114.4 | S195 P201 | S195-N199 PolarHBondContact O-N 3.02Å; S195-N199 PolarHBondContact O-ND2 3.45Å; S195-N199 VanDerWaalsContact O-ND2 3.16Å; N199-P201 VanDerWaalsContact C-CD 3.42Å; N199-P201 VanDerWaalsContact C-N 3.32Å; N199-P201 VanDerWaalsContact O-N 3.17Å |
| 200 | K | 69.5 | Low | 74 | Confident | 85 Ų | 85 | 72.1 Ų | 72.1 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | trans | 42 | 48.1 | -178.6 | -56.4 | -176.8 | -173.4 | 178 | 0 | 114.2 | A196 Q197 Q202 R203 | A196-K200 VanDerWaalsContact O-CA 3.27Å; A196-K200 WeakPolarHBondContact O-CA 3.46Å; A196-K200 PolarHBondContact O-N 3.38Å; Q197-K200 WeakPolarHBondContact O-CE 3.33Å; Q197-K200 VanDerWaalsContact O-CG 3.26Å; Q197-K200 WeakPolarHBondContact O-CG 3.32Å; K200-Q202 PolarHBondContact O-N 3.41Å; K200-R203 HydrophobicContact CB-CG 4.21Å; K200-R203 WeakPolarHBondContact O-CB 3.31Å; K200-R203 PolarHBondContact O-N 3.17Å | ||
| 201 | P | 71.2 | Confident | 74.6 | Confident | 53 Ų | 53 | 69 Ų | 69 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -56.2 | -28.4 | -173.8 | 24.1 | -35.3 | 0 | 0 | 0 | 113.6 | V187 N199 R203 Y204 I205 | V187-P201 HydrophobicContact CG1-CG 4.01Å; N199-P201 VanDerWaalsContact C-CD 3.42Å; N199-P201 VanDerWaalsContact C-N 3.32Å; N199-P201 VanDerWaalsContact O-N 3.17Å; P201-R203 PolarHBondContact O-N 2.94Å; P201-R203 VanDerWaalsContact O-N 3.16Å; P201-Y204 PolarHBondContact O-N 3.39Å; P201-Y204 VanDerWaalsContact O-N 3.15Å; P201-I205 PolarHBondContact O-N 3.47Å; P201-I205 VanDerWaalsContact O-N 3.12Å |
| 202 | Q | 74.2 | Confident | 75.3 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.5 | -31 | 172.2 | 64.4 | -82 | 19.7 | 0 | 0 | 113.3 | Y184 V187 K200 F206 | Y184-Q202 HydrophobicContact CD2-CB 4.11Å; Y184-Q202 WeakPolarHBondContact CD2-O 3.15Å; Y184-Q202 HydrophobicContact CE2-CB 3.97Å; Y184-Q202 WeakPolarHBondContact CE2-O 3.38Å; V187-Q202 HydrophobicContact CG1-CB 4.14Å; K200-Q202 PolarHBondContact O-N 3.41Å; Q202-F206 WeakPolarHBondContact O-CB 3.48Å; Q202-F206 PolarHBondContact O-N 3Å; Q202-F206 VanDerWaalsContact O-N 3.08Å |
| 203 | R | 73.9 | Confident | 75.7 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.9 | -45.1 | 177.1 | -68.9 | -176.7 | 170.2 | -153.8 | -6.8 | 112.2 | K200 P201 F206 W207 | K200-R203 HydrophobicContact CB-CG 4.21Å; K200-R203 WeakPolarHBondContact O-CB 3.31Å; K200-R203 PolarHBondContact O-N 3.17Å; P201-R203 PolarHBondContact O-N 2.94Å; P201-R203 VanDerWaalsContact O-N 3.16Å; R203-F206 PolarHBondContact O-N 3.06Å; R203-W207 WeakPolarHBondContact O-CB 3.34Å; R203-W207 VanDerWaalsContact O-CD1 3.26Å; R203-W207 PolarHBondContact O-N 3.5Å |
| 204 | Y | 78.5 | Confident | 76.1 | Confident | 86 Ų | 86 | 65 Ų | 65 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.3 | 177.4 | -94 | 0 | 0 | 0 | 111.2 | P201 F206 W207 K208 | P201-Y204 PolarHBondContact O-N 3.39Å; P201-Y204 VanDerWaalsContact O-N 3.15Å; Y204-F206 PolarHBondContact O-N 3Å; Y204-W207 PolarHBondContact O-N 3.36Å; Y204-K208 HydrophobicContact CE1-CD 4.15Å; Y204-K208 VanDerWaalsContact O-CB 3.29Å; Y204-K208 WeakPolarHBondContact O-CB 3.37Å; Y204-K208 PolarHBondContact O-N 3.48Å |
| 205 | I | 79.7 | Confident | 77 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 177.8 | -66.4 | 162.4 | 0 | 0 | 0 | 111.1 | Y180 I183 P201 K208 T209 | Y180-I205 HydrophobicContact CD1-CG2 3.82Å; Y180-I205 HydrophobicContact CG-CG2 4.06Å; I183-I205 HydrophobicContact CG2-CD1 3.99Å; P201-I205 PolarHBondContact O-N 3.47Å; P201-I205 VanDerWaalsContact O-N 3.12Å; I205-K208 PolarHBondContact O-N 2.93Å; I205-T209 WeakPolarHBondContact O-CB 3.3Å; I205-T209 PolarHBondContact O-N 3.3Å; I205-T209 PolarHBondContact O-OG1 3.37Å |
| 206 | F | 80.5 | Confident | 77.7 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 40% | 0.399 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 176.7 | 179.9 | -103.5 | 0 | 0 | 0 | 112.2 | Y184 Q202 R203 Y204 K208 T209 I210 | Y184-F206 HydrophobicContact CD2-CB 4.05Å; Y184-F206 HydrophobicContact CE2-CB 3.84Å; Y184-F206 HydrophobicContact CE2-CD2 4.09Å; Y184-F206 HydrophobicContact CE2-CG 4.29Å; Q202-F206 WeakPolarHBondContact O-CB 3.48Å; Q202-F206 PolarHBondContact O-N 3Å; Q202-F206 VanDerWaalsContact O-N 3.08Å; R203-F206 PolarHBondContact O-N 3.06Å; Y204-F206 PolarHBondContact O-N 3Å; F206-K208 PolarHBondContact O-N 3.44Å; F206-T209 PolarHBondContact O-N 2.88Å; F206-I210 HydrophobicContact CD1-CD1 3.94Å; F206-I210 HydrophobicContact CD2-CD1 4.25Å; F206-I210 HydrophobicContact CE1-CD1 3.4Å; F206-I210 VanDerWaalsContact CE1-CD1 3.4Å; F206-I210 HydrophobicContact CE2-CD1 3.76Å; F206-I210 HydrophobicContact CG-CD1 4.35Å; F206-I210 HydrophobicContact CZ-CD1 3.31Å; F206-I210 PolarHBondContact O-N 3Å |
| 207 | W | 83 | Confident | 78.6 | Confident | 80 Ų | 80 | 63.1 Ų | 63.1 | 30% | 0.303 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 177.4 | -83.9 | 109.1 | 0 | 0 | 0 | 112.8 | R203 Y204 T211 G259 L265 | R203-W207 WeakPolarHBondContact O-CB 3.34Å; R203-W207 VanDerWaalsContact O-CD1 3.26Å; R203-W207 PolarHBondContact O-N 3.5Å; Y204-W207 PolarHBondContact O-N 3.36Å; W207-T211 VanDerWaalsContact O-CB 3.22Å; W207-T211 WeakPolarHBondContact O-CB 3.45Å; W207-T211 PolarHBondContact O-N 2.94Å; W207-T211 PolarHBondContact O-OG1 3.4Å; W207-G259 VanDerWaalsContact NE1-C 3.35Å; W207-G259 PolarHBondContact NE1-O 3.36Å; W207-L265 HydrophobicContact CZ2-CD2 4.12Å |
| 208 | K | 83.2 | Confident | 79.1 | Confident | 20 Ų | 20 | 64.9 Ų | 64.9 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 173.3 | -174 | 177.8 | 179.3 | -179.7 | 0 | 111.5 | Y180 Y204 I205 F206 T211 V212 S256 | Y180-K208 HydrophobicContact CD2-CD 4.47Å; Y180-K208 HydrophobicContact CE2-CD 3.81Å; Y180-K208 PolarHBondContact OH-NZ 3.47Å; Y204-K208 HydrophobicContact CE1-CD 4.15Å; Y204-K208 VanDerWaalsContact O-CB 3.29Å; Y204-K208 WeakPolarHBondContact O-CB 3.37Å; Y204-K208 PolarHBondContact O-N 3.48Å; I205-K208 PolarHBondContact O-N 2.93Å; F206-K208 PolarHBondContact O-N 3.44Å; K208-T211 PolarHBondContact O-N 3.03Å; K208-V212 WeakPolarHBondContact O-CB 3.35Å; K208-V212 VanDerWaalsContact O-CG2 3.26Å; K208-V212 WeakPolarHBondContact O-CG2 3.33Å; K208-V212 PolarHBondContact O-N 3.26Å; K208-S256 WeakPolarHBondContact CA-OG 3.2Å |
| 209 | T | 85.8 | Confident | 79.5 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -49.3 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 111.3 | A177 Y180 I181 I205 F206 T211 V212 L213 | A177-T209 HydrophobicContact CB-CG2 4.21Å; Y180-T209 WeakPolarHBondContact CB-OG1 3.05Å; I181-T209 HydrophobicContact CG1-CG2 4.48Å; I205-T209 WeakPolarHBondContact O-CB 3.3Å; I205-T209 PolarHBondContact O-N 3.3Å; I205-T209 PolarHBondContact O-OG1 3.37Å; F206-T209 PolarHBondContact O-N 2.88Å; T209-T211 PolarHBondContact O-N 3.15Å; T209-V212 PolarHBondContact O-N 3.48Å; T209-L213 HydrophobicContact CG2-CD1 4.19Å; T209-L213 VanDerWaalsContact O-CG 3.32Å; T209-L213 WeakPolarHBondContact O-CG 3.41Å; T209-L213 PolarHBondContact O-N 3.4Å |
| 210 | I | 86.1 | Confident | 79.8 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.2 | -73.2 | 178.9 | 0 | 0 | 0 | 111.6 | F206 L213 L214 | F206-I210 HydrophobicContact CD1-CD1 3.94Å; F206-I210 HydrophobicContact CD2-CD1 4.25Å; F206-I210 HydrophobicContact CE1-CD1 3.4Å; F206-I210 VanDerWaalsContact CE1-CD1 3.4Å; F206-I210 HydrophobicContact CE2-CD1 3.76Å; F206-I210 HydrophobicContact CG-CD1 4.35Å; F206-I210 HydrophobicContact CZ-CD1 3.31Å; F206-I210 PolarHBondContact O-N 3Å; I210-L213 PolarHBondContact O-N 2.84Å; I210-L214 HydrophobicContact CG2-CD1 3.66Å; I210-L214 HydrophobicContact CG2-CG 4.16Å; I210-L214 WeakPolarHBondContact O-CB 3.21Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.38Å |
| 211 | T | 86 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -41.5 | -177.5 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | W207 K208 T209 L214 F215 V252 I255 | W207-T211 VanDerWaalsContact O-CB 3.22Å; W207-T211 WeakPolarHBondContact O-CB 3.45Å; W207-T211 PolarHBondContact O-N 2.94Å; W207-T211 PolarHBondContact O-OG1 3.4Å; K208-T211 PolarHBondContact O-N 3.03Å; T209-T211 PolarHBondContact O-N 3.15Å; T211-L214 PolarHBondContact O-N 2.93Å; T211-F215 HydrophobicContact CG2-CD2 3.7Å; T211-F215 HydrophobicContact CG2-CE2 3.9Å; T211-F215 WeakPolarHBondContact O-CD2 3.36Å; T211-F215 PolarHBondContact O-N 3.24Å; T211-V252 HydrophobicContact CG2-CB 4.17Å; T211-V252 HydrophobicContact CG2-CG1 4.13Å; T211-V252 HydrophobicContact CG2-CG2 4.13Å; T211-I255 HydrophobicContact CG2-CB 3.8Å; T211-I255 HydrophobicContact CG2-CG2 3.69Å |
| 212 | V | 85.6 | Confident | 80 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -49.7 | 171.8 | 168.8 | 0 | 0 | 0 | 0 | 110.4 | I173 A177 K208 T209 K216 V252 | I173-V212 HydrophobicContact CD1-CG1 4.06Å; I173-V212 HydrophobicContact CD1-CG2 4.14Å; I173-V212 HydrophobicContact CG1-CG1 3.97Å; I173-V212 HydrophobicContact CG1-CG2 4.41Å; I173-V212 HydrophobicContact CG2-CG1 4.36Å; A177-V212 HydrophobicContact CB-CG1 4.02Å; K208-V212 WeakPolarHBondContact O-CB 3.35Å; K208-V212 VanDerWaalsContact O-CG2 3.26Å; K208-V212 WeakPolarHBondContact O-CG2 3.33Å; K208-V212 PolarHBondContact O-N 3.26Å; T209-V212 PolarHBondContact O-N 3.48Å; V212-K216 HydrophobicContact CG1-CG 4.14Å; V212-K216 WeakPolarHBondContact O-CA 3.38Å; V212-K216 WeakPolarHBondContact O-CB 3.44Å; V212-K216 VanDerWaalsContact O-CG 3.26Å; V212-K216 WeakPolarHBondContact O-CG 3.46Å; V212-K216 PolarHBondContact O-N 3.45Å; V212-V252 HydrophobicContact CG2-CG1 3.69Å |
| 213 | L | 85 | Confident | 79.8 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 39% | 0.387 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 179.9 | -70.1 | 171.4 | 0 | 0 | 0 | 112.2 | T209 I210 F215 K216 S217 | T209-L213 HydrophobicContact CG2-CD1 4.19Å; T209-L213 VanDerWaalsContact O-CG 3.32Å; T209-L213 WeakPolarHBondContact O-CG 3.41Å; T209-L213 PolarHBondContact O-N 3.4Å; I210-L213 PolarHBondContact O-N 2.84Å; L213-F215 PolarHBondContact O-N 2.89Å; L213-K216 PolarHBondContact O-N 3.01Å; L213-S217 VanDerWaalsContact O-CB 3.22Å; L213-S217 WeakPolarHBondContact O-CB 3.22Å; L213-S217 PolarHBondContact O-N 2.91Å; L213-S217 PolarHBondContact O-OG 3.13Å |
| 214 | L | 85.8 | Confident | 79.7 | Confident | 110 Ų | 110 | 54.7 Ų | 54.7 | 58% | 0.576 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.6 | -47 | -179.2 | -72.3 | 174.4 | 0 | 0 | 0 | 112.7 | I210 T211 F218 | I210-L214 HydrophobicContact CG2-CD1 3.66Å; I210-L214 HydrophobicContact CG2-CG 4.16Å; I210-L214 WeakPolarHBondContact O-CB 3.21Å; I210-L214 WeakPolarHBondContact O-CG 3.46Å; I210-L214 PolarHBondContact O-N 3.38Å; T211-L214 PolarHBondContact O-N 2.93Å; L214-F218 VanDerWaalsContact O-CD2 3.29Å; L214-F218 WeakPolarHBondContact O-CD2 3.37Å; L214-F218 VanDerWaalsContact O-CE2 3.32Å; L214-F218 WeakPolarHBondContact O-CE2 3.45Å |
| 215 | F | 83.8 | Confident | 79.4 | Confident | 59 Ų | 59 | 51.7 Ų | 51.7 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -78.4 | -30.1 | -179.1 | -79.3 | -87.1 | 0 | 0 | 0 | 113.1 | T211 L213 T248 L251 V252 I255 | T211-F215 HydrophobicContact CG2-CD2 3.7Å; T211-F215 HydrophobicContact CG2-CE2 3.9Å; T211-F215 WeakPolarHBondContact O-CD2 3.36Å; T211-F215 PolarHBondContact O-N 3.24Å; L213-F215 PolarHBondContact O-N 2.89Å; F215-T248 HydrophobicContact CB-CG2 4.47Å; F215-T248 HydrophobicContact CD1-CG2 4.04Å; F215-L251 HydrophobicContact CE1-CD1 4.41Å; F215-V252 HydrophobicContact CB-CG2 3.67Å; F215-V252 HydrophobicContact CD2-CG2 4.04Å; F215-V252 HydrophobicContact CG-CG2 3.94Å; F215-I255 HydrophobicContact CE2-CD1 3.47Å; F215-I255 VanDerWaalsContact CE2-CD1 3.47Å; F215-I255 HydrophobicContact CZ-CD1 3.46Å; F215-I255 VanDerWaalsContact CZ-CD1 3.46Å |
| 216 | K | 82.4 | Confident | 79 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -89.2 | -18.6 | -179.9 | -57.3 | -65.4 | -159.9 | 175.6 | 0 | 113.9 | H92 I173 F174 V212 L213 F218 Y219 N245 | H92-K216 PolarHBondContact CE1-NZ 3.04Å; H92-K216 VanDerWaalsContact CE1-NZ 3.3Å; H92-K216 PolarHBondContact NE2-NZ 2.94Å; I173-K216 HydrophobicContact CD1-CD 4.44Å; I173-K216 HydrophobicContact CD1-CG 4.3Å; I173-K216 HydrophobicContact CG2-CD 4.24Å; I173-K216 HydrophobicContact CG2-CG 3.93Å; F174-K216 HydrophobicContact CE1-CB 3.73Å; F174-K216 HydrophobicContact CE2-CB 4.18Å; F174-K216 HydrophobicContact CZ-CB 3.5Å; F174-K216 WeakPolarHBondContact CZ-O 3.48Å; V212-K216 HydrophobicContact CG1-CG 4.14Å; V212-K216 WeakPolarHBondContact O-CA 3.38Å; V212-K216 WeakPolarHBondContact O-CB 3.44Å; V212-K216 VanDerWaalsContact O-CG 3.26Å; V212-K216 WeakPolarHBondContact O-CG 3.46Å; V212-K216 PolarHBondContact O-N 3.45Å; L213-K216 PolarHBondContact O-N 3.01Å; K216-F218 PolarHBondContact O-N 3.5Å; K216-F218 VanDerWaalsContact O-N 3.13Å; K216-Y219 HydrophobicContact CB-CD2 4.06Å; K216-Y219 HydrophobicContact CB-CE2 4.31Å; K216-Y219 HydrophobicContact CD-CD2 3.81Å; K216-Y219 HydrophobicContact CD-CE2 3.36Å; K216-Y219 HydrophobicContact CG-CE2 4.37Å; K216-Y219 WeakPolarHBondContact O-CD2 3.44Å; K216-Y219 PolarHBondContact O-N 3.28Å; K216-N245 PolarHBondContact NZ-OD1 3.09Å |
| 217 | S | 80.3 | Confident | 78.5 | Confident | 62 Ų | 62 | 55 Ų | 55 | 43% | 0.434 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.9 | 172.9 | -76.3 | 0 | 0 | 0 | 0 | 113.3 | L213 Y219 V220 P221 | L213-S217 VanDerWaalsContact O-CB 3.22Å; L213-S217 WeakPolarHBondContact O-CB 3.22Å; L213-S217 PolarHBondContact O-N 2.91Å; L213-S217 PolarHBondContact O-OG 3.13Å; S217-Y219 PolarHBondContact O-N 2.81Å; S217-V220 WeakPolarHBondContact O-CB 3.4Å; S217-V220 PolarHBondContact O-N 3.09Å; S217-V220 VanDerWaalsContact O-N 3.14Å; S217-P221 WeakPolarHBondContact O-CD 3.45Å |
| 218 | F | 75 | Confident | 78.1 | Confident | 149 Ų | 149 | 58.8 Ų | 58.8 | 65% | 0.654 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -20.1 | 174.3 | -70.6 | -77.4 | 0 | 0 | 0 | 114.5 | L214 K216 | L214-F218 VanDerWaalsContact O-CD2 3.29Å; L214-F218 WeakPolarHBondContact O-CD2 3.37Å; L214-F218 VanDerWaalsContact O-CE2 3.32Å; L214-F218 WeakPolarHBondContact O-CE2 3.45Å; K216-F218 PolarHBondContact O-N 3.5Å; K216-F218 VanDerWaalsContact O-N 3.13Å |
| 219 | Y | 75.5 | Confident | 77.6 | Confident | 20 Ų | 20 | 63.3 Ų | 63.3 | 8% | 0.078 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78 | -21.4 | 173.9 | -57.4 | -82.6 | 0 | 0 | 0 | 112.6 | K216 S217 L222 A223 I241 L244 N245 T248 | K216-Y219 HydrophobicContact CB-CD2 4.06Å; K216-Y219 HydrophobicContact CB-CE2 4.31Å; K216-Y219 HydrophobicContact CD-CD2 3.81Å; K216-Y219 HydrophobicContact CD-CE2 3.36Å; K216-Y219 HydrophobicContact CG-CE2 4.37Å; K216-Y219 WeakPolarHBondContact O-CD2 3.44Å; K216-Y219 PolarHBondContact O-N 3.28Å; S217-Y219 PolarHBondContact O-N 2.81Å; Y219-L222 PolarHBondContact O-N 3.24Å; Y219-A223 WeakPolarHBondContact O-CB 3.24Å; Y219-A223 PolarHBondContact O-N 3.47Å; Y219-I241 HydrophobicContact CD1-CB 4.28Å; Y219-I241 HydrophobicContact CD1-CG1 4.15Å; Y219-I241 HydrophobicContact CD1-CG2 3.73Å; Y219-I241 HydrophobicContact CE1-CB 4.48Å; Y219-I241 HydrophobicContact CE1-CG2 3.95Å; Y219-L244 HydrophobicContact CE1-CB 3.55Å; Y219-L244 HydrophobicContact CE1-CD1 4.16Å; Y219-L244 VanDerWaalsContact OH-CB 3.31Å; Y219-L244 WeakPolarHBondContact OH-CB 3.41Å; Y219-L244 PolarHBondContact OH-O 2.95Å; Y219-N245 PolarHBondContact OH-N 2.93Å; Y219-N245 VanDerWaalsContact OH-N 3.16Å; Y219-N245 PolarHBondContact OH-OD1 3.42Å; Y219-T248 PolarHBondContact OH-OG1 3.3Å |
| 220 | V | 71.2 | Confident | 76.6 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 42% | 0.418 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | -178.1 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | F174 S217 L222 A223 I224 | F174-V220 HydrophobicContact CZ-CG2 4.48Å; S217-V220 WeakPolarHBondContact O-CB 3.4Å; S217-V220 PolarHBondContact O-N 3.09Å; S217-V220 VanDerWaalsContact O-N 3.14Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.4Å; V220-A223 PolarHBondContact O-N 2.85Å; V220-I224 HydrophobicContact CG1-CD1 3.77Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CB 3.34Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.31Å; V220-I224 PolarHBondContact O-N 2.82Å |
| 221 | P | 72.2 | Confident | 75.7 | Confident | 81 Ų | 81 | 68.2 Ų | 68.2 | 53% | 0.526 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.5 | -38.9 | 169.7 | -28.1 | 35.7 | 0 | 0 | 0 | 114.4 | S217 I224 S225 | S217-P221 WeakPolarHBondContact O-CD 3.45Å; P221-I224 PolarHBondContact O-N 3.33Å; P221-S225 PolarHBondContact O-N 3.06Å; P221-S225 PolarHBondContact O-OG 3.23Å |
| 222 | L | 72.7 | Confident | 75 | Confident | 39 Ų | 39 | 74.6 Ų | 74.6 | 20% | 0.204 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 177.9 | -66 | 173.2 | 0 | 0 | 0 | 111.3 | Y219 V220 I224 S225 L226 Y237 I240 I241 L244 | Y219-L222 PolarHBondContact O-N 3.24Å; V220-L222 VanDerWaalsContact C-N 3.31Å; V220-L222 PolarHBondContact O-N 3.4Å; L222-I224 VanDerWaalsContact C-N 3.29Å; L222-I224 PolarHBondContact O-N 2.91Å; L222-S225 WeakPolarHBondContact CA-OG 3.3Å; L222-S225 PolarHBondContact O-N 3.38Å; L222-S225 PolarHBondContact O-OG 3.33Å; L222-L226 PolarHBondContact O-N 3.46Å; L222-Y237 HydrophobicContact CD2-CD1 4.22Å; L222-Y237 HydrophobicContact CD2-CE1 4.06Å; L222-I240 HydrophobicContact CD1-CG2 4.23Å; L222-I241 HydrophobicContact CD1-CG1 4.31Å; L222-L244 HydrophobicContact CD1-CD1 3.85Å |
| 223 | A | 69.7 | Low | 74.6 | Confident | 42 Ų | 42 | 81.1 Ų | 81.1 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y219 V220 L226 | Y219-A223 WeakPolarHBondContact O-CB 3.24Å; Y219-A223 PolarHBondContact O-N 3.47Å; V220-A223 PolarHBondContact O-N 2.85Å; A223-L226 WeakPolarHBondContact O-CB 3.48Å |
| 224 | I | 72.1 | Confident | 74.3 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.5 | -43.6 | 173.1 | -70.9 | 168.3 | 0 | 0 | 0 | 110.6 | V220 P221 L222 L226 I227 F228 | V220-I224 HydrophobicContact CG1-CD1 3.77Å; V220-I224 HydrophobicContact CG1-CG1 4.41Å; V220-I224 WeakPolarHBondContact O-CB 3.34Å; V220-I224 VanDerWaalsContact O-CG1 3.25Å; V220-I224 WeakPolarHBondContact O-CG1 3.31Å; V220-I224 PolarHBondContact O-N 2.82Å; P221-I224 PolarHBondContact O-N 3.33Å; L222-I224 VanDerWaalsContact C-N 3.29Å; L222-I224 PolarHBondContact O-N 2.91Å; I224-L226 VanDerWaalsContact C-N 3.29Å; I224-L226 PolarHBondContact O-N 3.36Å; I224-I227 WeakPolarHBondContact O-CB 3.28Å; I224-I227 PolarHBondContact O-N 2.97Å; I224-I227 VanDerWaalsContact O-N 3.08Å; I224-F228 HydrophobicContact CG2-CD2 3.64Å; I224-F228 HydrophobicContact CG2-CE2 3.52Å; I224-F228 WeakPolarHBondContact O-CD2 3.45Å; I224-F228 PolarHBondContact O-N 3.5Å |
| 225 | S | 72.4 | Confident | 73.9 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 15% | 0.154 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 177.1 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | P221 L222 I227 F228 F229 Y237 | P221-S225 PolarHBondContact O-N 3.06Å; P221-S225 PolarHBondContact O-OG 3.23Å; L222-S225 WeakPolarHBondContact CA-OG 3.3Å; L222-S225 PolarHBondContact O-N 3.38Å; L222-S225 PolarHBondContact O-OG 3.33Å; S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.9Å; S225-F228 PolarHBondContact O-N 3.39Å; S225-F228 VanDerWaalsContact O-N 3.14Å; S225-F229 VanDerWaalsContact O-CD2 3.24Å; S225-F229 WeakPolarHBondContact O-CD2 3.34Å; S225-F229 PolarHBondContact O-N 3.47Å; S225-Y237 VanDerWaalsContact OG-CE1 3.29Å; S225-Y237 WeakPolarHBondContact OG-CE1 3.45Å; S225-Y237 PolarHBondContact OG-OH 2.96Å |
| 226 | L | 70.3 | Confident | 73.8 | Confident | 31 Ų | 31 | 78.4 Ų | 78.4 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.9 | -39.1 | 171.9 | -89.2 | 167.3 | 0 | 0 | 0 | 113.3 | L222 A223 I224 L234 Y237 I241 | L222-L226 PolarHBondContact O-N 3.46Å; A223-L226 WeakPolarHBondContact O-CB 3.48Å; I224-L226 VanDerWaalsContact C-N 3.29Å; I224-L226 PolarHBondContact O-N 3.36Å; L226-L234 HydrophobicContact CD2-CB 4.02Å; L226-L234 HydrophobicContact CD2-CG 4.3Å; L226-Y237 HydrophobicContact CD1-CG 4.37Å; L226-Y237 HydrophobicContact CD2-CD2 3.44Å; L226-Y237 VanDerWaalsContact CD2-CD2 3.44Å; L226-Y237 HydrophobicContact CD2-CE2 4.26Å; L226-Y237 HydrophobicContact CD2-CG 3.82Å; L226-Y237 HydrophobicContact CG-CD1 4.48Å; L226-Y237 HydrophobicContact CG-CD2 3.75Å; L226-Y237 HydrophobicContact CG-CE2 4.38Å; L226-Y237 HydrophobicContact CG-CG 3.8Å; L226-I241 HydrophobicContact CD1-CD1 4.35Å |
| 227 | I | 70.5 | Confident | 73.7 | Confident | 135 Ų | 135 | 79.9 Ų | 79.9 | 69% | 0.692 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -73.2 | -37 | 178.8 | -62.1 | 166.4 | 0 | 0 | 0 | 110.9 | I224 S225 | I224-I227 WeakPolarHBondContact O-CB 3.28Å; I224-I227 PolarHBondContact O-N 2.97Å; I224-I227 VanDerWaalsContact O-N 3.08Å; S225-I227 VanDerWaalsContact C-N 3.26Å; S225-I227 PolarHBondContact O-N 2.9Å |
| 228 | F | 74.7 | Confident | 73.9 | Confident | 159 Ų | 159 | 77.7 Ų | 77.7 | 70% | 0.697 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -78.8 | -28.9 | -178.4 | -79.9 | -69 | 0 | 0 | 0 | 114.6 | I224 S225 N230 | I224-F228 HydrophobicContact CG2-CD2 3.64Å; I224-F228 HydrophobicContact CG2-CE2 3.52Å; I224-F228 WeakPolarHBondContact O-CD2 3.45Å; I224-F228 PolarHBondContact O-N 3.5Å; S225-F228 PolarHBondContact O-N 3.39Å; S225-F228 VanDerWaalsContact O-N 3.14Å; F228-N230 PolarHBondContact O-N 2.89Å |
| 229 | F | 72 | Confident | 74.3 | Confident | 115 Ų | 115 | 76.1 Ų | 76.1 | 50% | 0.504 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 28.9 | -178.2 | -69.4 | -67.7 | 0 | 0 | 0 | 113.9 | S225 G231 D232 | S225-F229 VanDerWaalsContact O-CD2 3.24Å; S225-F229 WeakPolarHBondContact O-CD2 3.34Å; S225-F229 PolarHBondContact O-N 3.47Å; F229-G231 PolarHBondContact O-N 2.95Å; F229-D232 PolarHBondContact O-N 2.95Å |
| 230 | N | 65.8 | Low | 74.8 | Confident | 147 Ų | 147 | 79 Ų | 79 | 79% | 0.786 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 13.4 | 174 | -71.1 | -18.6 | 0 | 0 | 0 | 117.3 | F228 | F228-N230 PolarHBondContact O-N 2.89Š|
| 231 | G | 66.8 | Low | 75.5 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 30% | 0.299 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | -1.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | F229 Y233 L234 | F229-G231 PolarHBondContact O-N 2.95Å; G231-Y233 PolarHBondContact O-N 2.84Å; G231-L234 WeakPolarHBondContact O-CB 3.43Å; G231-L234 PolarHBondContact O-N 3.18Å |
| 232 | D | 70.8 | Confident | 76.2 | Confident | 135 Ų | 135 | 73 Ų | 73 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -28.8 | -176.4 | -69.6 | -26.4 | 0 | 0 | 0 | 113.5 | F229 | F229-D232 PolarHBondContact O-N 2.95Š|
| 233 | Y | 77.1 | Confident | 76.9 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 55% | 0.553 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 16.6 | -179.8 | -56.1 | -68.3 | 0 | 0 | 0 | 113.7 | G231 E235 A236 Y237 | G231-Y233 PolarHBondContact O-N 2.84Å; Y233-E235 VanDerWaalsContact C-N 3.32Å; Y233-E235 PolarHBondContact O-N 3.3Å; Y233-A236 PolarHBondContact O-N 3.24Å; Y233-A236 VanDerWaalsContact O-N 3.1Å; Y233-Y237 VanDerWaalsContact O-CD2 3.26Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.47Å; Y233-Y237 PolarHBondContact O-N 3Å |
| 234 | L | 78.3 | Confident | 77.7 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55.6 | -42.8 | -168.7 | 172.1 | 161.3 | 0 | 0 | 0 | 113.3 | T159 S163 L226 G231 Y237 L238 | T159-L234 HydrophobicContact CG2-CD2 3.6Å; S163-L234 WeakPolarHBondContact OG-CD2 3.49Å; L226-L234 HydrophobicContact CD2-CB 4.02Å; L226-L234 HydrophobicContact CD2-CG 4.3Å; G231-L234 WeakPolarHBondContact O-CB 3.43Å; G231-L234 PolarHBondContact O-N 3.18Å; L234-Y237 PolarHBondContact O-N 3.36Å; L234-L238 HydrophobicContact CD2-CD1 3.92Å; L234-L238 HydrophobicContact CD2-CG 4.27Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.01Å |
| 235 | E | 78.2 | Confident | 78.5 | Confident | 107 Ų | 107 | 72.8 Ų | 72.8 | 50% | 0.5 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 178.3 | -60.2 | -173.4 | 171.4 | 0 | 0 | 112.3 | Y233 Y237 L238 I239 | Y233-E235 VanDerWaalsContact C-N 3.32Å; Y233-E235 PolarHBondContact O-N 3.3Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.27Å; E235-L238 PolarHBondContact O-N 3.05Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 2.93Å |
| 236 | A | 81.3 | Confident | 79.3 | Confident | 51 Ų | 51 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y233 I239 I240 | Y233-A236 PolarHBondContact O-N 3.24Å; Y233-A236 VanDerWaalsContact O-N 3.1Å; A236-I239 PolarHBondContact O-N 2.96Å; A236-I240 WeakPolarHBondContact O-CD1 3.23Å; A236-I240 VanDerWaalsContact O-CG1 3.27Å; A236-I240 WeakPolarHBondContact O-CG1 3.41Å; A236-I240 PolarHBondContact O-N 3.49Å |
| 237 | Y | 80.7 | Confident | 80 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 14% | 0.137 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 173.6 | -79.2 | -67 | 0 | 0 | 0 | 112.5 | L222 S225 L226 Y233 L234 E235 I239 I240 I241 | L222-Y237 HydrophobicContact CD2-CD1 4.22Å; L222-Y237 HydrophobicContact CD2-CE1 4.06Å; S225-Y237 VanDerWaalsContact OG-CE1 3.29Å; S225-Y237 WeakPolarHBondContact OG-CE1 3.45Å; S225-Y237 PolarHBondContact OG-OH 2.96Å; L226-Y237 HydrophobicContact CD1-CG 4.37Å; L226-Y237 HydrophobicContact CD2-CD2 3.44Å; L226-Y237 VanDerWaalsContact CD2-CD2 3.44Å; L226-Y237 HydrophobicContact CD2-CE2 4.26Å; L226-Y237 HydrophobicContact CD2-CG 3.82Å; L226-Y237 HydrophobicContact CG-CD1 4.48Å; L226-Y237 HydrophobicContact CG-CD2 3.75Å; L226-Y237 HydrophobicContact CG-CE2 4.38Å; L226-Y237 HydrophobicContact CG-CG 3.8Å; Y233-Y237 VanDerWaalsContact O-CD2 3.26Å; Y233-Y237 WeakPolarHBondContact O-CD2 3.47Å; Y233-Y237 PolarHBondContact O-N 3Å; L234-Y237 PolarHBondContact O-N 3.36Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.27Å; Y237-I239 VanDerWaalsContact C-N 3.32Å; Y237-I239 PolarHBondContact O-N 3.47Å; Y237-I240 PolarHBondContact O-N 3.27Å; Y237-I241 WeakPolarHBondContact O-CB 3.49Å; Y237-I241 WeakPolarHBondContact O-CD1 3.39Å; Y237-I241 WeakPolarHBondContact O-CG1 3.23Å; Y237-I241 PolarHBondContact O-N 3.21Å |
| 238 | L | 83.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 175.7 | -71.4 | -174.8 | 0 | 0 | 0 | 111.9 | Y162 F166 L234 E235 I241 A242 | Y162-L238 HydrophobicContact CD1-CD1 4.13Å; Y162-L238 HydrophobicContact CE1-CD1 4.17Å; F166-L238 HydrophobicContact CB-CD2 4.41Å; F166-L238 HydrophobicContact CD1-CD2 3.68Å; F166-L238 HydrophobicContact CD2-CD2 4.43Å; F166-L238 HydrophobicContact CE1-CD2 3.99Å; F166-L238 HydrophobicContact CG-CD2 3.95Å; F166-L238 HydrophobicContact CZ-CD2 4.46Å; L234-L238 HydrophobicContact CD2-CD1 3.92Å; L234-L238 HydrophobicContact CD2-CG 4.27Å; L234-L238 WeakPolarHBondContact O-CG 3.48Å; L234-L238 PolarHBondContact O-N 3.01Å; E235-L238 PolarHBondContact O-N 3.05Å; L238-I241 PolarHBondContact O-N 3.39Å; L238-A242 VanDerWaalsContact O-CB 3.28Å; L238-A242 WeakPolarHBondContact O-CB 3.37Å; L238-A242 PolarHBondContact O-N 3.45Å |
| 239 | I | 84.7 | Confident | 81.4 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 176 | -67.6 | 164.9 | 0 | 0 | 0 | 110.8 | E235 A236 Y237 A242 F243 | E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 2.93Å; A236-I239 PolarHBondContact O-N 2.96Å; Y237-I239 VanDerWaalsContact C-N 3.32Å; Y237-I239 PolarHBondContact O-N 3.47Å; I239-A242 PolarHBondContact O-N 3.44Å; I239-F243 WeakPolarHBondContact O-CB 3.44Å; I239-F243 PolarHBondContact O-N 3.14Å |
| 240 | I | 85.2 | Confident | 82 | Confident | 79 Ų | 79 | 54.9 Ų | 54.9 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 176.7 | -69.9 | 163.5 | 0 | 0 | 0 | 110.9 | L222 A236 Y237 F243 L244 | L222-I240 HydrophobicContact CD1-CG2 4.23Å; A236-I240 WeakPolarHBondContact O-CD1 3.23Å; A236-I240 VanDerWaalsContact O-CG1 3.27Å; A236-I240 WeakPolarHBondContact O-CG1 3.41Å; A236-I240 PolarHBondContact O-N 3.49Å; Y237-I240 PolarHBondContact O-N 3.27Å; I240-F243 PolarHBondContact O-N 3.18Å; I240-L244 HydrophobicContact CG2-CD1 3.81Å; I240-L244 HydrophobicContact CG2-CG 4.35Å; I240-L244 WeakPolarHBondContact O-CB 3.35Å; I240-L244 VanDerWaalsContact O-CG 3.28Å; I240-L244 WeakPolarHBondContact O-CG 3.46Å; I240-L244 PolarHBondContact O-N 3.47Å |
| 241 | I | 86.2 | Confident | 82.9 | Confident | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 178.4 | -64.9 | 164 | 0 | 0 | 0 | 110.4 | F166 Y219 L222 L226 Y237 L238 F243 L244 N245 | F166-I241 HydrophobicContact CE1-CB 4.22Å; F166-I241 HydrophobicContact CE1-CG2 3.67Å; F166-I241 HydrophobicContact CZ-CB 4.42Å; F166-I241 HydrophobicContact CZ-CG2 4.12Å; Y219-I241 HydrophobicContact CD1-CB 4.28Å; Y219-I241 HydrophobicContact CD1-CG1 4.15Å; Y219-I241 HydrophobicContact CD1-CG2 3.73Å; Y219-I241 HydrophobicContact CE1-CB 4.48Å; Y219-I241 HydrophobicContact CE1-CG2 3.95Å; L222-I241 HydrophobicContact CD1-CG1 4.31Å; L226-I241 HydrophobicContact CD1-CD1 4.35Å; Y237-I241 WeakPolarHBondContact O-CB 3.49Å; Y237-I241 WeakPolarHBondContact O-CD1 3.39Å; Y237-I241 WeakPolarHBondContact O-CG1 3.23Å; Y237-I241 PolarHBondContact O-N 3.21Å; L238-I241 PolarHBondContact O-N 3.39Å; I241-F243 PolarHBondContact O-N 2.98Å; I241-L244 PolarHBondContact O-N 3.38Å; I241-N245 VanDerWaalsContact O-CB 3.31Å; I241-N245 WeakPolarHBondContact O-CB 3.34Å; I241-N245 VanDerWaalsContact O-CG 3.25Å; I241-N245 PolarHBondContact O-N 3.2Å; I241-N245 PolarHBondContact O-ND2 3.3Å |
| 242 | A | 87.6 | Confident | 83.9 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F85 F166 L238 I239 N245 I246 | F85-A242 HydrophobicContact CD2-CB 3.79Å; F85-A242 HydrophobicContact CE2-CB 3.67Å; F166-A242 HydrophobicContact CE2-CB 4.21Å; F166-A242 HydrophobicContact CZ-CB 4.01Å; L238-A242 VanDerWaalsContact O-CB 3.28Å; L238-A242 WeakPolarHBondContact O-CB 3.37Å; L238-A242 PolarHBondContact O-N 3.45Å; I239-A242 PolarHBondContact O-N 3.44Å; A242-N245 WeakPolarHBondContact O-CB 3.46Å; A242-N245 PolarHBondContact O-N 3.03Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.06Å; A242-I246 VanDerWaalsContact O-N 3.09Å |
| 243 | F | 86.3 | Confident | 84.5 | Confident | 97 Ų | 97 | 45.5 Ų | 45.5 | 43% | 0.425 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 178.2 | -177.1 | -107.5 | 0 | 0 | 0 | 112.3 | F49 I239 I240 I241 N245 I246 L247 | F49-F243 HydrophobicContact CE1-CE2 4.21Å; F49-F243 HydrophobicContact CZ-CE2 4.4Å; I239-F243 WeakPolarHBondContact O-CB 3.44Å; I239-F243 PolarHBondContact O-N 3.14Å; I240-F243 PolarHBondContact O-N 3.18Å; I241-F243 PolarHBondContact O-N 2.98Å; F243-N245 VanDerWaalsContact C-N 3.27Å; F243-N245 PolarHBondContact O-N 3Å; F243-I246 PolarHBondContact O-N 3.5Å; F243-L247 HydrophobicContact CD1-CD1 3.89Å; F243-L247 HydrophobicContact CE1-CD1 3.46Å; F243-L247 VanDerWaalsContact CE1-CD1 3.46Å; F243-L247 HydrophobicContact CE1-CG 4.27Å; F243-L247 HydrophobicContact CZ-CD1 3.93Å; F243-L247 HydrophobicContact CZ-CG 4.38Å; F243-L247 WeakPolarHBondContact O-CG 3.33Å; F243-L247 PolarHBondContact O-N 2.83Å; F243-L247 VanDerWaalsContact O-N 3.08Å |
| 244 | L | 87.6 | Confident | 84.8 | Confident | 55 Ų | 55 | 42.8 Ų | 42.8 | 29% | 0.288 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -36.4 | 174.2 | -72.7 | 173.8 | 0 | 0 | 0 | 111.6 | Y219 L222 I240 I241 L247 T248 | Y219-L244 HydrophobicContact CE1-CB 3.55Å; Y219-L244 HydrophobicContact CE1-CD1 4.16Å; Y219-L244 VanDerWaalsContact OH-CB 3.31Å; Y219-L244 WeakPolarHBondContact OH-CB 3.41Å; Y219-L244 PolarHBondContact OH-O 2.95Å; L222-L244 HydrophobicContact CD1-CD1 3.85Å; I240-L244 HydrophobicContact CG2-CD1 3.81Å; I240-L244 HydrophobicContact CG2-CG 4.35Å; I240-L244 WeakPolarHBondContact O-CB 3.35Å; I240-L244 VanDerWaalsContact O-CG 3.28Å; I240-L244 WeakPolarHBondContact O-CG 3.46Å; I240-L244 PolarHBondContact O-N 3.47Å; I241-L244 PolarHBondContact O-N 3.38Å; L244-L247 PolarHBondContact O-N 3.45Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 VanDerWaalsContact O-CG2 3.3Å; L244-T248 WeakPolarHBondContact O-CG2 3.19Å; L244-T248 PolarHBondContact O-N 3.34Å; L244-T248 PolarHBondContact O-OG1 3.17Å |
| 245 | N | 88.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.3 | -83.2 | -33.7 | 0 | 0 | 0 | 112 | T88 D170 K216 Y219 I241 A242 F243 L247 T249 | T88-N245 HydrophobicContact CG2-CB 4.09Å; D170-N245 VanDerWaalsContact CG-ND2 3.29Å; D170-N245 PolarHBondContact OD1-ND2 3.44Å; D170-N245 PolarHBondContact OD2-ND2 3.39Å; K216-N245 PolarHBondContact NZ-OD1 3.09Å; Y219-N245 PolarHBondContact OH-N 2.93Å; Y219-N245 VanDerWaalsContact OH-N 3.16Å; Y219-N245 PolarHBondContact OH-OD1 3.42Å; I241-N245 VanDerWaalsContact O-CB 3.31Å; I241-N245 WeakPolarHBondContact O-CB 3.34Å; I241-N245 VanDerWaalsContact O-CG 3.25Å; I241-N245 PolarHBondContact O-N 3.2Å; I241-N245 PolarHBondContact O-ND2 3.3Å; A242-N245 WeakPolarHBondContact O-CB 3.46Å; A242-N245 PolarHBondContact O-N 3.03Å; F243-N245 VanDerWaalsContact C-N 3.27Å; F243-N245 PolarHBondContact O-N 3Å; N245-L247 VanDerWaalsContact C-N 3.33Å; N245-L247 PolarHBondContact O-N 2.85Å; N245-T249 WeakPolarHBondContact O-CB 3.46Å; N245-T249 PolarHBondContact O-N 3.1Å; N245-T249 VanDerWaalsContact O-N 3.11Å; N245-T249 PolarHBondContact O-OG1 3.39Å |
| 246 | I | 87.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.4 | -67.7 | 164.5 | 0 | 0 | 0 | 110.8 | F46 L84 F85 A242 F243 P250 | F46-I246 HydrophobicContact CD2-CG2 4.11Å; F46-I246 HydrophobicContact CE2-CG2 4.35Å; L84-I246 HydrophobicContact CB-CD1 4.08Å; L84-I246 HydrophobicContact CB-CG1 4.16Å; L84-I246 HydrophobicContact CB-CG2 3.93Å; L84-I246 HydrophobicContact CD1-CG2 4.06Å; L84-I246 HydrophobicContact CG-CG2 4.42Å; F85-I246 HydrophobicContact CB-CD1 4.12Å; A242-I246 WeakPolarHBondContact O-CG1 3.45Å; A242-I246 PolarHBondContact O-N 3.06Å; A242-I246 VanDerWaalsContact O-N 3.09Å; F243-I246 PolarHBondContact O-N 3.5Å; I246-P250 WeakPolarHBondContact O-CD 3.41Å |
| 247 | L | 85.5 | Confident | 85.4 | Confident | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.5 | -46.8 | 178.7 | -68.6 | 176.3 | 0 | 0 | 0 | 113.3 | F46 F243 L244 N245 P250 L251 | F46-L247 HydrophobicContact CE2-CD2 3.63Å; F46-L247 HydrophobicContact CZ-CD2 3.57Å; F243-L247 HydrophobicContact CD1-CD1 3.89Å; F243-L247 HydrophobicContact CE1-CD1 3.46Å; F243-L247 VanDerWaalsContact CE1-CD1 3.46Å; F243-L247 HydrophobicContact CE1-CG 4.27Å; F243-L247 HydrophobicContact CZ-CD1 3.93Å; F243-L247 HydrophobicContact CZ-CG 4.38Å; F243-L247 WeakPolarHBondContact O-CG 3.33Å; F243-L247 PolarHBondContact O-N 2.83Å; F243-L247 VanDerWaalsContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 3.45Å; N245-L247 VanDerWaalsContact C-N 3.33Å; N245-L247 PolarHBondContact O-N 2.85Å; L247-P250 WeakPolarHBondContact O-CD 3.02Å; L247-P250 WeakPolarHBondContact O-CG 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.46Å |
| 248 | T | 86.9 | Confident | 85.4 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76.8 | -31.1 | -170.9 | 53.4 | 0 | 0 | 0 | 0 | 113 | F215 Y219 L244 L251 V252 | F215-T248 HydrophobicContact CB-CG2 4.47Å; F215-T248 HydrophobicContact CD1-CG2 4.04Å; Y219-T248 PolarHBondContact OH-OG1 3.3Å; L244-T248 WeakPolarHBondContact O-CB 3.47Å; L244-T248 VanDerWaalsContact O-CG2 3.3Å; L244-T248 WeakPolarHBondContact O-CG2 3.19Å; L244-T248 PolarHBondContact O-N 3.34Å; L244-T248 PolarHBondContact O-OG1 3.17Å; T248-L251 PolarHBondContact O-N 3.24Å; T248-V252 WeakPolarHBondContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CG2 3.38Å; T248-V252 PolarHBondContact O-N 3.5Å |
| 249 | T | 87.5 | Confident | 85 | Confident | 4 Ų | 4 | 44.2 Ų | 44.2 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | -178.7 | -60 | 0 | 0 | 0 | 0 | 113.8 | T88 F91 N245 L251 V252 I253 | T88-T249 HydrophobicContact CG2-CG2 4.45Å; T88-T249 WeakPolarHBondContact CG2-OG1 3.47Å; F91-T249 HydrophobicContact CD1-CG2 3.59Å; F91-T249 HydrophobicContact CE1-CG2 3.82Å; F91-T249 HydrophobicContact CG-CG2 4.24Å; N245-T249 WeakPolarHBondContact O-CB 3.46Å; N245-T249 PolarHBondContact O-N 3.1Å; N245-T249 VanDerWaalsContact O-N 3.11Å; N245-T249 PolarHBondContact O-OG1 3.39Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-L251 PolarHBondContact O-N 3.32Å; T249-V252 PolarHBondContact O-N 3Å; T249-I253 HydrophobicContact CG2-CD1 4.11Å; T249-I253 WeakPolarHBondContact O-CD1 3.14Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.36Å; T249-I253 PolarHBondContact O-N 2.81Å |
| 250 | P | 84.3 | Confident | 84.6 | Confident | 6 Ų | 6 | 40.1 Ų | 40.1 | 4% | 0.039 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -36.6 | 177.1 | 25.2 | -34 | 0 | 0 | 0 | 112.7 | F39 I246 L247 I253 Q254 | F39-P250 HydrophobicContact CE2-CB 3.99Å; I246-P250 WeakPolarHBondContact O-CD 3.41Å; L247-P250 WeakPolarHBondContact O-CD 3.02Å; L247-P250 WeakPolarHBondContact O-CG 3.5Å; P250-I253 PolarHBondContact O-N 3.46Å; P250-Q254 WeakPolarHBondContact O-CG 3.4Å; P250-Q254 PolarHBondContact O-N 3.13Å |
| 251 | L | 85.5 | Confident | 84.2 | Confident | 75 Ų | 75 | 38.9 Ų | 38.9 | 39% | 0.393 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.4 | -68.1 | 174.4 | 0 | 0 | 0 | 111.8 | F215 L247 T248 T249 I253 Q254 I255 | F215-L251 HydrophobicContact CE1-CD1 4.41Å; L247-L251 WeakPolarHBondContact O-CG 3.46Å; T248-L251 PolarHBondContact O-N 3.24Å; T249-L251 VanDerWaalsContact C-N 3.34Å; T249-L251 PolarHBondContact O-N 3.32Å; L251-I253 VanDerWaalsContact C-N 3.31Å; L251-I253 PolarHBondContact O-N 3.37Å; L251-Q254 PolarHBondContact O-N 3Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.1Å; L251-I255 PolarHBondContact O-N 2.78Å |
| 252 | V | 87.2 | Confident | 83.4 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 177.3 | 166.7 | 0 | 0 | 0 | 0 | 110.7 | T211 V212 F215 T248 T249 S256 | T211-V252 HydrophobicContact CG2-CB 4.17Å; T211-V252 HydrophobicContact CG2-CG1 4.13Å; T211-V252 HydrophobicContact CG2-CG2 4.13Å; V212-V252 HydrophobicContact CG2-CG1 3.69Å; F215-V252 HydrophobicContact CB-CG2 3.67Å; F215-V252 HydrophobicContact CD2-CG2 4.04Å; F215-V252 HydrophobicContact CG-CG2 3.94Å; T248-V252 WeakPolarHBondContact O-CB 3.29Å; T248-V252 WeakPolarHBondContact O-CG2 3.38Å; T248-V252 PolarHBondContact O-N 3.5Å; T249-V252 PolarHBondContact O-N 3Å; V252-S256 VanDerWaalsContact O-CB 3.25Å; V252-S256 WeakPolarHBondContact O-CB 3.36Å; V252-S256 PolarHBondContact O-N 3.35Å; V252-S256 PolarHBondContact O-OG 3.33Å |
| 253 | I | 83.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.144 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -48.8 | 179 | -63.4 | 160 | 0 | 0 | 0 | 110.9 | F39 F91 T249 P250 L251 S256 Y257 | F39-I253 HydrophobicContact CB-CD1 4.31Å; F39-I253 HydrophobicContact CD1-CG2 4.28Å; F39-I253 HydrophobicContact CD2-CB 4.23Å; F39-I253 HydrophobicContact CD2-CD1 3.34Å; F39-I253 HydrophobicContact CD2-CG1 4.38Å; F39-I253 HydrophobicContact CD2-CG2 4Å; F39-I253 HydrophobicContact CE1-CG2 4.19Å; F39-I253 HydrophobicContact CE2-CB 4.01Å; F39-I253 HydrophobicContact CE2-CD1 3.89Å; F39-I253 HydrophobicContact CE2-CG2 3.89Å; F39-I253 HydrophobicContact CG-CD1 4.03Å; F39-I253 HydrophobicContact CG-CG2 4.18Å; F39-I253 HydrophobicContact CZ-CB 4.47Å; F39-I253 HydrophobicContact CZ-CG2 3.98Å; F91-I253 HydrophobicContact CD2-CD1 4.49Å; F91-I253 HydrophobicContact CE1-CD1 3.91Å; F91-I253 HydrophobicContact CE1-CG1 4.3Å; F91-I253 HydrophobicContact CE2-CD1 3.61Å; F91-I253 HydrophobicContact CE2-CG1 4.42Å; F91-I253 HydrophobicContact CZ-CD1 3.3Å; F91-I253 HydrophobicContact CZ-CG1 3.71Å; T249-I253 HydrophobicContact CG2-CD1 4.11Å; T249-I253 WeakPolarHBondContact O-CD1 3.14Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.36Å; T249-I253 PolarHBondContact O-N 2.81Å; P250-I253 PolarHBondContact O-N 3.46Å; L251-I253 VanDerWaalsContact C-N 3.31Å; L251-I253 PolarHBondContact O-N 3.37Å; I253-S256 PolarHBondContact O-N 2.9Å; I253-Y257 PolarHBondContact O-N 3.17Å |
| 254 | Q | 84.1 | Confident | 81.6 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 39% | 0.393 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -45.5 | -179.3 | -72.6 | 177.6 | -2.8 | 0 | 0 | 112.4 | F39 P250 L251 Y257 L258 | F39-Q254 HydrophobicContact CZ-CG 4.13Å; P250-Q254 WeakPolarHBondContact O-CG 3.4Å; P250-Q254 PolarHBondContact O-N 3.13Å; L251-Q254 PolarHBondContact O-N 3Å; Q254-Y257 PolarHBondContact O-N 2.92Å; Q254-L258 WeakPolarHBondContact O-CB 3.48Å; Q254-L258 PolarHBondContact O-N 2.98Å |
| 255 | I | 84.5 | Confident | 80.5 | Confident | 58 Ų | 58 | 52.1 Ų | 52.1 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -37.9 | 179.9 | -67.6 | 166.5 | 0 | 0 | 0 | 110.8 | T211 F215 L251 Y257 L258 G259 | T211-I255 HydrophobicContact CG2-CB 3.8Å; T211-I255 HydrophobicContact CG2-CG2 3.69Å; F215-I255 HydrophobicContact CE2-CD1 3.47Å; F215-I255 VanDerWaalsContact CE2-CD1 3.47Å; F215-I255 HydrophobicContact CZ-CD1 3.46Å; F215-I255 VanDerWaalsContact CZ-CD1 3.46Å; L251-I255 WeakPolarHBondContact O-CB 3.4Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.1Å; L251-I255 PolarHBondContact O-N 2.78Å; I255-Y257 VanDerWaalsContact C-N 3.33Å; I255-Y257 PolarHBondContact O-N 3.44Å; I255-L258 PolarHBondContact O-N 3.45Å; I255-G259 PolarHBondContact O-N 3.01Å |
| 256 | S | 85.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 173.7 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | K208 V252 I253 S260 | K208-S256 WeakPolarHBondContact CA-OG 3.2Å; V252-S256 VanDerWaalsContact O-CB 3.25Å; V252-S256 WeakPolarHBondContact O-CB 3.36Å; V252-S256 PolarHBondContact O-N 3.35Å; V252-S256 PolarHBondContact O-OG 3.33Å; I253-S256 PolarHBondContact O-N 2.9Å; S256-S260 PolarHBondContact O-N 3.38Å |
| 257 | Y | 80.4 | Confident | 78.8 | Confident | 152 Ų | 152 | 57.8 Ų | 57.8 | 60% | 0.596 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -66.5 | -49.1 | 175.6 | -176.6 | -99.7 | 0 | 0 | 0 | 111.5 | I253 Q254 I255 G259 S260 N261 | I253-Y257 PolarHBondContact O-N 3.17Å; Q254-Y257 PolarHBondContact O-N 2.92Å; I255-Y257 VanDerWaalsContact C-N 3.33Å; I255-Y257 PolarHBondContact O-N 3.44Å; Y257-G259 PolarHBondContact O-N 3.08Å; Y257-S260 PolarHBondContact O-N 3.17Å; Y257-S260 VanDerWaalsContact O-N 3.13Å; Y257-S260 PolarHBondContact O-OG 3.12Å; Y257-N261 PolarHBondContact O-N 2.89Å; Y257-N261 VanDerWaalsContact O-N 3.16Å |
| 258 | L | 80 | Confident | 78.1 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -46.4 | 179 | -178.6 | 64.5 | 0 | 0 | 0 | 112.2 | Q254 I255 S260 N261 T264 | Q254-L258 WeakPolarHBondContact O-CB 3.48Å; Q254-L258 PolarHBondContact O-N 2.98Å; I255-L258 PolarHBondContact O-N 3.45Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 3.47Å; L258-N261 PolarHBondContact O-N 3.4Å; L258-T264 HydrophobicContact CD1-CG2 3.38Å |
| 259 | G | 77 | Confident | 77.5 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W207 I255 Y257 | W207-G259 VanDerWaalsContact NE1-C 3.35Å; W207-G259 PolarHBondContact NE1-O 3.36Å; I255-G259 PolarHBondContact O-N 3.01Å; Y257-G259 PolarHBondContact O-N 3.08Å |
| 260 | S | 75.5 | Confident | 76.8 | Confident | 32 Ų | 32 | 70 Ų | 70 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.7 | -35.7 | 175.5 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | S256 Y257 L258 R262 | S256-S260 PolarHBondContact O-N 3.38Å; Y257-S260 PolarHBondContact O-N 3.17Å; Y257-S260 VanDerWaalsContact O-N 3.13Å; Y257-S260 PolarHBondContact O-OG 3.12Å; L258-S260 VanDerWaalsContact C-N 3.29Å; L258-S260 PolarHBondContact O-N 3.47Å; S260-R262 PolarHBondContact O-N 3.44Å |
| 261 | N | 76.9 | Confident | 76.2 | Confident | 52 Ų | 52 | 74 Ų | 74 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | trans | -83.7 | 96.3 | 179.7 | -169.5 | -21 | 0 | 0 | 0 | 111.7 | Y257 L258 R263 T264 L265 | Y257-N261 PolarHBondContact O-N 2.89Å; Y257-N261 VanDerWaalsContact O-N 3.16Å; L258-N261 PolarHBondContact O-N 3.4Å; N261-R263 PolarHBondContact O-N 3.39Å; N261-R263 VanDerWaalsContact O-N 3.17Å; N261-R263 PolarHBondContact OD1-N 2.96Å; N261-R263 VanDerWaalsContact OD1-N 3.15Å; N261-T264 PolarHBondContact ND2-OG1 3.35Å; N261-T264 VanDerWaalsContact ND2-OG1 3.08Å; N261-T264 PolarHBondContact O-N 3.23Å; N261-T264 PolarHBondContact OD1-N 3.2Å; N261-L265 PolarHBondContact O-N 3.26Å | ||
| 262 | R | 68.7 | Low | 75.4 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 55% | 0.551 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -51 | -41.7 | 179.5 | -168.6 | -163.6 | 175.7 | 166.6 | 3.1 | 112.9 | S260 L265 Q266 | S260-R262 PolarHBondContact O-N 3.44Å; R262-L265 PolarHBondContact O-N 2.84Å; R262-Q266 WeakPolarHBondContact O-CG 3.28Å; R262-Q266 PolarHBondContact O-N 3.18Å; R262-Q266 PolarHBondContact O-OE1 3.12Å |
| 263 | R | 68 | Low | 74.3 | Confident | 213 Ų | 213 | 80.3 Ų | 80.3 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.8 | -47.6 | -176.3 | -67.9 | -178.9 | 178.5 | 163.8 | 0 | 110.6 | N261 L265 Q266 S267 | N261-R263 PolarHBondContact O-N 3.39Å; N261-R263 VanDerWaalsContact O-N 3.17Å; N261-R263 PolarHBondContact OD1-N 2.96Å; N261-R263 VanDerWaalsContact OD1-N 3.15Å; R263-L265 PolarHBondContact O-N 2.98Å; R263-Q266 PolarHBondContact O-N 2.94Å; R263-S267 PolarHBondContact O-N 3.31Å; R263-S267 VanDerWaalsContact O-N 3.08Å |
| 264 | T | 67.8 | Low | 73.1 | Confident | 57 Ų | 57 | 84.8 Ų | 84.8 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.7 | -32.1 | 178.7 | -40.3 | 0 | 0 | 0 | 0 | 112.4 | L258 N261 S267 F268 | L258-T264 HydrophobicContact CD1-CG2 3.38Å; N261-T264 PolarHBondContact ND2-OG1 3.35Å; N261-T264 VanDerWaalsContact ND2-OG1 3.08Å; N261-T264 PolarHBondContact O-N 3.23Å; N261-T264 PolarHBondContact OD1-N 3.2Å; T264-S267 PolarHBondContact O-OG 3.07Å; T264-F268 VanDerWaalsContact O-CB 3.25Å; T264-F268 WeakPolarHBondContact O-CB 3.24Å; T264-F268 PolarHBondContact O-N 2.93Å |
| 265 | L | 66.3 | Low | 71.7 | Confident | 39 Ų | 39 | 88.4 Ų | 88.4 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 172.6 | -174.6 | 63.6 | 0 | 0 | 0 | 112.4 | W207 N261 R262 R263 K269 | W207-L265 HydrophobicContact CZ2-CD2 4.12Å; N261-L265 PolarHBondContact O-N 3.26Å; R262-L265 PolarHBondContact O-N 2.84Å; R263-L265 PolarHBondContact O-N 2.98Å; L265-K269 WeakPolarHBondContact O-CG 3.33Å; L265-K269 PolarHBondContact O-N 3.22Å; L265-K269 VanDerWaalsContact O-N 3.12Å |
| 266 | Q | 73.3 | Confident | 70.4 | Confident | 84 Ų | 84 | 92.9 Ų | 92.9 | 39% | 0.393 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.6 | -51.4 | 174 | -74.6 | 177.3 | -90.5 | 0 | 0 | 111 | R262 R263 F268 K269 E270 | R262-Q266 WeakPolarHBondContact O-CG 3.28Å; R262-Q266 PolarHBondContact O-N 3.18Å; R262-Q266 PolarHBondContact O-OE1 3.12Å; R263-Q266 PolarHBondContact O-N 2.94Å; Q266-F268 VanDerWaalsContact C-N 3.29Å; Q266-F268 PolarHBondContact O-N 3.22Å; Q266-K269 WeakPolarHBondContact O-CB 3.45Å; Q266-K269 PolarHBondContact O-N 3.39Å; Q266-E270 WeakPolarHBondContact O-CG 3.35Å; Q266-E270 PolarHBondContact O-N 3.05Å |
| 267 | S | 65.8 | Low | 69 | Low | 52 Ų | 52 | 95.7 Ų | 95.7 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63 | -33.4 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | R263 T264 T271 | R263-S267 PolarHBondContact O-N 3.31Å; R263-S267 VanDerWaalsContact O-N 3.08Å; T264-S267 PolarHBondContact O-OG 3.07Å; S267-T271 WeakPolarHBondContact O-CB 3.46Å; S267-T271 PolarHBondContact O-N 3.13Å; S267-T271 PolarHBondContact O-OG1 3.47Å |
| 268 | F | 71.3 | Confident | 67.5 | Low | 102 Ų | 102 | 91.7 Ų | 91.7 | 45% | 0.447 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 172.2 | -175.8 | -106.7 | 0 | 0 | 0 | 112.3 | T264 Q266 T271 L272 | T264-F268 VanDerWaalsContact O-CB 3.25Å; T264-F268 WeakPolarHBondContact O-CB 3.24Å; T264-F268 PolarHBondContact O-N 2.93Å; Q266-F268 VanDerWaalsContact C-N 3.29Å; Q266-F268 PolarHBondContact O-N 3.22Å; F268-T271 PolarHBondContact O-N 3.33Å; F268-L272 HydrophobicContact CD1-CD1 3.92Å; F268-L272 HydrophobicContact CE1-CD1 3.48Å; F268-L272 VanDerWaalsContact CE1-CD1 3.48Å; F268-L272 HydrophobicContact CE1-CG 4.24Å; F268-L272 HydrophobicContact CZ-CD1 3.94Å; F268-L272 HydrophobicContact CZ-CG 4.32Å; F268-L272 WeakPolarHBondContact O-CG 3.49Å; F268-L272 PolarHBondContact O-N 3.41Å |
| 269 | K | 74 | Confident | 66.1 | Low | 123 Ų | 123 | 99.8 Ų | 99.8 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 174.5 | -77.2 | -179.2 | 176.5 | -165.3 | 0 | 112.3 | L265 Q266 T271 L272 Q273 | L265-K269 WeakPolarHBondContact O-CG 3.33Å; L265-K269 PolarHBondContact O-N 3.22Å; L265-K269 VanDerWaalsContact O-N 3.12Å; Q266-K269 WeakPolarHBondContact O-CB 3.45Å; Q266-K269 PolarHBondContact O-N 3.39Å; K269-T271 VanDerWaalsContact C-N 3.3Å; K269-T271 PolarHBondContact O-N 2.93Å; K269-L272 PolarHBondContact O-N 3.41Å; K269-Q273 WeakPolarHBondContact O-CB 3.43Å; K269-Q273 WeakPolarHBondContact O-CG 3.27Å; K269-Q273 PolarHBondContact O-N 3.12Å |
| 270 | E | 72.7 | Confident | 64.6 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 175.6 | -71.6 | 155.8 | -158.8 | 0 | 0 | 110.5 | Q266 L272 Q273 L274 | Q266-E270 WeakPolarHBondContact O-CG 3.35Å; Q266-E270 PolarHBondContact O-N 3.05Å; E270-L272 PolarHBondContact O-N 2.87Å; E270-Q273 PolarHBondContact O-N 3.44Å; E270-L274 WeakPolarHBondContact O-CB 3.31Å; E270-L274 VanDerWaalsContact O-CG 3.26Å; E270-L274 WeakPolarHBondContact O-CG 3.39Å; E270-L274 PolarHBondContact O-N 2.96Å |
| 271 | T | 71.7 | Confident | 63.4 | Low | 88 Ų | 88 | 109 Ų | 109 | 54% | 0.54 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 177 | -57.9 | 0 | 0 | 0 | 0 | 112.3 | S267 F268 K269 K275 | S267-T271 WeakPolarHBondContact O-CB 3.46Å; S267-T271 PolarHBondContact O-N 3.13Å; S267-T271 PolarHBondContact O-OG1 3.47Å; F268-T271 PolarHBondContact O-N 3.33Å; K269-T271 VanDerWaalsContact C-N 3.3Å; K269-T271 PolarHBondContact O-N 2.93Å; T271-K275 WeakPolarHBondContact O-CB 3.32Å; T271-K275 PolarHBondContact O-N 3.2Å |
| 272 | L | 68.3 | Low | 62 | Low | 88 Ų | 88 | 112.2 Ų | 112.2 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -42.5 | 173.9 | -74.7 | 175.7 | 0 | 0 | 0 | 112.3 | F268 K269 E270 K275 Q276 | F268-L272 HydrophobicContact CD1-CD1 3.92Å; F268-L272 HydrophobicContact CE1-CD1 3.48Å; F268-L272 VanDerWaalsContact CE1-CD1 3.48Å; F268-L272 HydrophobicContact CE1-CG 4.24Å; F268-L272 HydrophobicContact CZ-CD1 3.94Å; F268-L272 HydrophobicContact CZ-CG 4.32Å; F268-L272 WeakPolarHBondContact O-CG 3.49Å; F268-L272 PolarHBondContact O-N 3.41Å; K269-L272 PolarHBondContact O-N 3.41Å; E270-L272 PolarHBondContact O-N 2.87Å; L272-K275 PolarHBondContact O-N 3.33Å; L272-Q276 PolarHBondContact O-N 3.35Å; L272-Q276 VanDerWaalsContact O-N 3.08Å |
| 273 | Q | 64.4 | Low | 60.9 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.8 | -41.4 | 177 | -74.7 | 179.2 | -28.9 | 0 | 0 | 111.6 | K269 E270 K275 Q276 S277 | K269-Q273 WeakPolarHBondContact O-CB 3.43Å; K269-Q273 WeakPolarHBondContact O-CG 3.27Å; K269-Q273 PolarHBondContact O-N 3.12Å; E270-Q273 PolarHBondContact O-N 3.44Å; Q273-K275 VanDerWaalsContact C-N 3.29Å; Q273-K275 PolarHBondContact O-N 3.29Å; Q273-Q276 PolarHBondContact O-N 2.91Å; Q273-S277 WeakPolarHBondContact O-CB 3.45Å; Q273-S277 PolarHBondContact O-N 3Å |
| 274 | L | 58.1 | Low | 59.7 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 64% | 0.639 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -35.7 | 173.2 | -72.2 | 169.4 | 0 | 0 | 0 | 112 | E270 Q276 S277 S278 | E270-L274 WeakPolarHBondContact O-CB 3.31Å; E270-L274 VanDerWaalsContact O-CG 3.26Å; E270-L274 WeakPolarHBondContact O-CG 3.39Å; E270-L274 PolarHBondContact O-N 2.96Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-S277 PolarHBondContact O-N 3.3Å; L274-S278 WeakPolarHBondContact O-CB 3.39Å; L274-S278 PolarHBondContact O-N 3.21Å; L274-S278 PolarHBondContact O-OG 3.06Å |
| 275 | K | 56.6 | Low | 58.5 | Low | 160 Ų | 160 | 115.9 Ų | 115.9 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -76.8 | -15.5 | 176.7 | -155.1 | 171.8 | -174.1 | 177.5 | 0 | 114.1 | T271 L272 Q273 S278 | T271-K275 WeakPolarHBondContact O-CB 3.32Å; T271-K275 PolarHBondContact O-N 3.2Å; L272-K275 PolarHBondContact O-N 3.33Å; Q273-K275 VanDerWaalsContact C-N 3.29Å; Q273-K275 PolarHBondContact O-N 3.29Å; K275-S278 PolarHBondContact O-OG 2.91Å |
| 276 | Q | 57 | Low | 57.5 | Low | 152 Ų | 152 | 117.8 Ų | 117.8 | 71% | 0.71 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -85.7 | -41.7 | 165.7 | -74.5 | -179.1 | -30.6 | 0 | 0 | 111.2 | L272 Q273 L274 S278 R279 | L272-Q276 PolarHBondContact O-N 3.35Å; L272-Q276 VanDerWaalsContact O-N 3.08Å; Q273-Q276 PolarHBondContact O-N 2.91Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; Q276-S278 VanDerWaalsContact C-N 3.33Å; Q276-S278 PolarHBondContact O-N 3.35Å; Q276-R279 PolarHBondContact O-N 3.43Å |
| 277 | S | 54.3 | Low | 56.1 | Low | 60 Ų | 60 | 119.2 Ų | 119.2 | 42% | 0.42 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.4 | -29.1 | 177.6 | -164.1 | 0 | 0 | 0 | 0 | 113.1 | Q273 L274 R279 L280 C281 | Q273-S277 WeakPolarHBondContact O-CB 3.45Å; Q273-S277 PolarHBondContact O-N 3Å; L274-S277 PolarHBondContact O-N 3.3Å; S277-R279 PolarHBondContact O-N 2.92Å; S277-R279 VanDerWaalsContact O-N 3.17Å; S277-L280 WeakPolarHBondContact O-CA 3.46Å; S277-L280 VanDerWaalsContact O-CB 3.24Å; S277-L280 WeakPolarHBondContact O-CB 3.29Å; S277-L280 PolarHBondContact O-N 3.46Å; S277-C281 PolarHBondContact O-N 2.63Å |
| 278 | S | 50 | Low | 55.1 | Low | 68 Ų | 68 | 121.6 Ų | 121.6 | 48% | 0.476 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -10.1 | 175.5 | 65.9 | 0 | 0 | 0 | 0 | 114.4 | L274 K275 Q276 L280 | L274-S278 WeakPolarHBondContact O-CB 3.39Å; L274-S278 PolarHBondContact O-N 3.21Å; L274-S278 PolarHBondContact O-OG 3.06Å; K275-S278 PolarHBondContact O-OG 2.91Å; Q276-S278 VanDerWaalsContact C-N 3.33Å; Q276-S278 PolarHBondContact O-N 3.35Å; S278-L280 VanDerWaalsContact C-N 3.32Å |
| 279 | R | 49.9 | Very low | 53.8 | Low | 217 Ų | 217 | 121.9 Ų | 121.9 | 82% | 0.819 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -9.4 | 164.8 | -63.9 | -170.5 | -174.6 | -175.4 | 1.3 | 113.4 | Q276 S277 | Q276-R279 PolarHBondContact O-N 3.43Å; S277-R279 PolarHBondContact O-N 2.92Å; S277-R279 VanDerWaalsContact O-N 3.17Å |
| 280 | L | 46.9 | Very low | 52.6 | Low | 126 Ų | 126 | 122.9 Ų | 122.9 | 66% | 0.66 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -33 | -179 | -147.2 | 71.3 | 0 | 0 | 0 | 112.4 | S277 S278 C282 R283 | S277-L280 WeakPolarHBondContact O-CA 3.46Å; S277-L280 VanDerWaalsContact O-CB 3.24Å; S277-L280 WeakPolarHBondContact O-CB 3.29Å; S277-L280 PolarHBondContact O-N 3.46Å; S278-L280 VanDerWaalsContact C-N 3.32Å; L280-C282 PolarHBondContact O-N 3.22Å; L280-C282 VanDerWaalsContact O-N 3.12Å; L280-R283 PolarHBondContact O-N 3.49Å; L280-R283 VanDerWaalsContact O-N 3.09Å |
| 281 | C | 49.3 | Very low | 51.8 | Low | 106 Ų | 106 | 126.7 Ų | 126.7 | 72% | 0.716 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -9.4 | 177.4 | -67.9 | 0 | 0 | 0 | 0 | 115.3 | S277 R283 | S277-C281 PolarHBondContact O-N 2.63Å; C281-R283 VanDerWaalsContact C-N 3.28Å |
| 282 | C | 48 | Very low | 50.7 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 11 | 171.8 | -64.7 | 0 | 0 | 0 | 0 | 113.5 | L280 | L280-C282 PolarHBondContact O-N 3.22Å; L280-C282 VanDerWaalsContact O-N 3.12Å |
| 283 | R | 44.5 | Very low | 50.1 | Low | 211 Ų | 211 | 133.5 Ų | 133.5 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -122.9 | 141.5 | 166.4 | -84.3 | 179.6 | 166 | 175.8 | -5.4 | 109.9 | L280 C281 | L280-R283 PolarHBondContact O-N 3.49Å; L280-R283 VanDerWaalsContact O-N 3.09Å; C281-R283 VanDerWaalsContact C-N 3.28Å |
| 284 | T | 43.6 | Very low | 49.5 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 78.6 | 51.6 | 167.7 | -27.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 285 | T | 42.3 | Very low | 49.3 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 93% | 0.933 | 78% | 0.776 | S | S | * | * | trans | -88.2 | 83.9 | 143.2 | 51 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 286 | A | 45 | Very low | 49 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | trans | -139.8 | 129.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 287 | S | 44.1 | Very low | 48.5 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -5.6 | 141 | 154 | -162.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 288 | S | 45.9 | Very low | 48.2 | Very low | 101 Ų | 101 | 147.8 Ų | 147.8 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | cis | -179 | 171.7 | 0.7 | 43.7 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 289 | S | 44 | Very low | 48.1 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | cis | -165.8 | 155.4 | -1.6 | 25.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 290 | V | 48.2 | Very low | 48 | Very low | 145 Ų | 145 | 148.4 Ų | 148.4 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -111.5 | 119.9 | 176.9 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 291 | Q | 55.6 | Low | 48.1 | Very low | 183 Ų | 183 | 149.9 Ų | 149.9 | 86% | 0.855 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 144.9 | 163.4 | -77.8 | -169.4 | -30.5 | 0 | 0 | 109.9 | ||
| 292 | P | 49.5 | Very low | 48 | Very low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 131.6 | 179.3 | 32.4 | -33 | 0 | 0 | 0 | 111.4 | ||
| 293 | E | 54 | Low | 48 | Very low | 197 Ų | 197 | 155.7 Ų | 155.7 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 146.4 | 168.7 | -152.9 | 160.9 | -144.2 | 0 | 0 | 110 | ||
| 294 | K | 52.1 | Low | 48.3 | Very low | 195 Ų | 195 | 151.1 Ų | 151.1 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 163.7 | -170.9 | -68.7 | 176 | 178.4 | 175.1 | 0 | 111.9 | ||
| 295 | F | 54.9 | Low | 48.7 | Very low | 287 Ų | 287 | 152.9 Ų | 152.9 | 100% | 1.259 | 85% | 0.854 | S | S | * | * | trans | -53.5 | 0 | 162 | -71.2 | -87.8 | 0 | 0 | 0 | 112.2 |
Retrieved 295 of 295 residues in 366.9 ms
(Link to these results)