| 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 | 42.8 | Very low | 39.1 | Very low | 242 Ų | 242 | 137.4 Ų | 137.4 | 100% | 1.192 | 79% | 0.793 | S | S | * | * | 0 | 110.7 | 0 | -82.7 | 177.5 | -175.3 | 0 | 0 | 108.4 | |||||
| 2 | T | 32.8 | Very low | 38.6 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -161 | 100.4 | 154.4 | 36.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 3 | A | 36.7 | Very low | 38.4 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 123.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 4 | L | 39.1 | Very low | 38.2 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.9 | 168.2 | -93.8 | 142.6 | 0 | 0 | 0 | 108.6 | ||
| 5 | S | 38.7 | Very low | 37.7 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 131.1 | -179.3 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | E7 | S5-E7 PolarHBondContact O-N 3.19Š|
| 6 | S | 37.8 | Very low | 37.4 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -71.2 | 109.2 | 171.9 | 67.5 | 0 | 0 | 0 | 0 | 110 | N8 | S6-N8 PolarHBondContact O-N 2.98Š| ||
| 7 | E | 40.8 | Very low | 37.5 | Very low | 170 Ų | 170 | 145.1 Ų | 145.1 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | -65.5 | 130.3 | 165.3 | -76 | -178.6 | 151.4 | 0 | 0 | 109.7 | S5 C9 | S5-E7 PolarHBondContact O-N 3.19Å; E7-C9 VanDerWaalsContact C-N 3.34Å; E7-C9 PolarHBondContact O-N 3.35Å | ||
| 8 | N | 40.5 | Very low | 37.2 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 85.9 | 177.3 | -90 | -30 | 0 | 0 | 0 | 110.8 | S6 S10 | S6-N8 PolarHBondContact O-N 2.98Å; N8-S10 PolarHBondContact O-N 3.19Å; N8-S10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | C | 43.1 | Very low | 37.1 | Very low | 87 Ų | 87 | 142.8 Ų | 142.8 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 4.2 | 171.9 | -78.2 | 0 | 0 | 0 | 0 | 114.5 | E7 | E7-C9 VanDerWaalsContact C-N 3.34Å; E7-C9 PolarHBondContact O-N 3.35Å |
| 10 | S | 41.8 | Very low | 37.4 | Very low | 72 Ų | 72 | 142.7 Ų | 142.7 | 50% | 0.503 | 75% | 0.749 | S | S | . | * | H | α-helix | trans | -74.1 | -33.3 | -177.5 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | N8 | N8-S10 PolarHBondContact O-N 3.19Å; N8-S10 VanDerWaalsContact O-N 3.16Å |
| 11 | F | 35.9 | Very low | 37.9 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 68% | 0.684 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -77 | -28.1 | -175.2 | -121.1 | -91.6 | 0 | 0 | 0 | 113.4 | Y13 L15 | F11-Y13 VanDerWaalsContact C-N 3.33Å; F11-Y13 PolarHBondContact O-N 2.99Å; F11-L15 PolarHBondContact O-N 2.95Å |
| 12 | Q | 33.1 | Very low | 38.4 | Very low | 159 Ų | 159 | 135.2 Ų | 135.2 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -76.5 | -21.4 | -179.1 | -132.1 | 173.2 | -8.7 | 0 | 0 | 112.7 | ||
| 13 | Y | 36.7 | Very low | 40.2 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -77.2 | -36 | 175.1 | -115.1 | -88.9 | 0 | 0 | 0 | 112.6 | F11 | F11-Y13 VanDerWaalsContact C-N 3.33Å; F11-Y13 PolarHBondContact O-N 2.99Å |
| 14 | Q | 35.7 | Very low | 41.9 | Very low | 128 Ų | 128 | 130 Ų | 130 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -73.3 | -36.7 | -179.5 | -84.7 | 176.3 | -42.8 | 0 | 0 | 112.9 | R16 Q17 | Q14-R16 VanDerWaalsContact C-N 3.27Å; Q14-R16 PolarHBondContact O-N 3.16Å; Q14-Q17 PolarHBondContact O-N 3.07Å |
| 15 | L | 30.9 | Very low | 43.6 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 72% | 0.723 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -74 | -17.1 | 179.9 | -151.4 | 75.8 | 0 | 0 | 0 | 113.4 | F11 T18 | F11-L15 PolarHBondContact O-N 2.95Å; L15-T18 PolarHBondContact O-OG1 3.34Å |
| 16 | R | 32.7 | Very low | 45.5 | Very low | 209 Ų | 209 | 120.5 Ų | 120.5 | 79% | 0.789 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -13.2 | 175.4 | -155.6 | 175 | -143.4 | -143.2 | 3.7 | 113.2 | Q14 | Q14-R16 VanDerWaalsContact C-N 3.27Å; Q14-R16 PolarHBondContact O-N 3.16Å |
| 17 | Q | 38.4 | Very low | 47.7 | Very low | 128 Ų | 128 | 119.3 Ų | 119.3 | 60% | 0.598 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -17.2 | -173.8 | -143.9 | 169.6 | 7.2 | 0 | 0 | 113.1 | Q14 | Q14-Q17 PolarHBondContact O-N 3.07Š|
| 18 | T | 32.7 | Very low | 49.7 | Very low | 103 Ų | 103 | 111.9 Ų | 111.9 | 63% | 0.632 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -17.5 | -179.3 | 40.5 | 0 | 0 | 0 | 0 | 114.2 | L15 | L15-T18 PolarHBondContact O-OG1 3.34Š|
| 19 | N | 35.3 | Very low | 51.8 | Low | 144 Ų | 144 | 107.7 Ų | 107.7 | 77% | 0.77 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 40.2 | 178.3 | -69.4 | -22.6 | 0 | 0 | 0 | 111.8 | P21 | N19-P21 WeakPolarHBondContact O-CD 3.21Š|
| 20 | Q | 42.2 | Very low | 54 | Low | 140 Ų | 140 | 107.7 Ų | 107.7 | 65% | 0.654 | 54% | 0.539 | S | S | * | . | trans | -75.8 | 123.2 | 170.7 | -89 | -178.1 | -27.5 | 0 | 0 | 109.7 | L22 | Q20-L22 PolarHBondContact O-N 3.46Š| ||
| 21 | P | 48.8 | Very low | 56.2 | Low | 116 Ų | 116 | 106.9 Ų | 106.9 | 75% | 0.753 | 53% | 0.529 | S | S | * | . | trans | -56.6 | 142.3 | 166.1 | 26.5 | -32.6 | 0 | 0 | 0 | 108.1 | N19 D23 | N19-P21 WeakPolarHBondContact O-CD 3.21Å; P21-D23 PolarHBondContact O-N 3.11Å; P21-D23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | L | 52.3 | Low | 58.7 | Low | 112 Ų | 112 | 99.6 Ų | 99.6 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | trans | -32.6 | 117.9 | -180 | -153.6 | 99.2 | 0 | 0 | 0 | 110.9 | Q20 V24 L27 L30 | Q20-L22 PolarHBondContact O-N 3.46Å; L22-V24 PolarHBondContact O-N 3.36Å; L22-V24 VanDerWaalsContact O-N 3.15Å; L22-L27 HydrophobicContact CD2-CB 3.96Å; L22-L27 HydrophobicContact CD2-CD1 4Å; L22-L30 HydrophobicContact CD2-CD1 4.48Å | ||
| 23 | D | 71.4 | Confident | 61.4 | Low | 83 Ų | 83 | 94.7 Ų | 94.7 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | trans | -51.3 | 125.4 | -177.1 | -174 | -17.2 | 0 | 0 | 0 | 108.5 | P21 N25 C26 L27 | P21-D23 PolarHBondContact O-N 3.11Å; P21-D23 VanDerWaalsContact O-N 3.13Å; D23-N25 PolarHBondContact O-N 3.15Å; D23-N25 PolarHBondContact OD1-N 3.12Å; D23-N25 PolarHBondContact OD1-ND2 2.85Å; D23-C26 HydrophobicContact CB-CB 4.28Å; D23-C26 WeakPolarHBondContact O-CA 3.07Å; D23-C26 WeakPolarHBondContact O-CB 3.39Å; D23-C26 PolarHBondContact O-N 3.26Å; D23-L27 PolarHBondContact O-N 2.95Å | ||
| 24 | V | 71.9 | Confident | 63.9 | Low | 61 Ų | 61 | 87.2 Ų | 87.2 | 37% | 0.37 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -54.9 | -30.7 | -174.8 | 176.6 | 0 | 0 | 0 | 0 | 111.4 | L22 L27 L28 | L22-V24 PolarHBondContact O-N 3.36Å; L22-V24 VanDerWaalsContact O-N 3.15Å; V24-L27 PolarHBondContact O-N 3.08Å; V24-L28 WeakPolarHBondContact O-CB 3.33Å; V24-L28 PolarHBondContact O-N 3.31Å |
| 25 | N | 74.9 | Confident | 66.6 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 11% | 0.107 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69 | -34.9 | 175.2 | -57.9 | -63.1 | 0 | 0 | 0 | 112.7 | D23 F29 L77 | D23-N25 PolarHBondContact O-N 3.15Å; D23-N25 PolarHBondContact OD1-N 3.12Å; D23-N25 PolarHBondContact OD1-ND2 2.85Å; N25-F29 WeakPolarHBondContact O-CB 3.4Å; N25-F29 PolarHBondContact O-N 3.21Å; N25-L77 HydrophobicContact CB-CD2 3.99Å |
| 26 | C | 78.3 | Confident | 69.4 | Low | 59 Ų | 59 | 75.5 Ų | 75.5 | 40% | 0.399 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | D23 F29 L30 | D23-C26 HydrophobicContact CB-CB 4.28Å; D23-C26 WeakPolarHBondContact O-CA 3.07Å; D23-C26 WeakPolarHBondContact O-CB 3.39Å; D23-C26 PolarHBondContact O-N 3.26Å; C26-F29 PolarHBondContact O-N 2.94Å; C26-L30 WeakPolarHBondContact O-CG 3.29Å; C26-L30 PolarHBondContact O-N 3.14Å |
| 27 | L | 83.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 45% | 0.45 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 173.7 | -174.1 | 63.4 | 0 | 0 | 0 | 111.4 | L22 D23 V24 F29 L30 I31 | L22-L27 HydrophobicContact CD2-CB 3.96Å; L22-L27 HydrophobicContact CD2-CD1 4Å; D23-L27 PolarHBondContact O-N 2.95Å; V24-L27 PolarHBondContact O-N 3.08Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.38Å; L27-L30 PolarHBondContact O-N 3.17Å; L27-I31 HydrophobicContact CD1-CD1 4.32Å; L27-I31 HydrophobicContact CG-CD1 3.91Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.48Å |
| 28 | L | 83.2 | Confident | 74.7 | Confident | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.6 | -46 | 177.1 | 178.5 | 67.8 | 0 | 0 | 0 | 111.4 | V24 L30 I31 I32 I94 T98 Y272 | V24-L28 WeakPolarHBondContact O-CB 3.33Å; V24-L28 PolarHBondContact O-N 3.31Å; L28-L30 PolarHBondContact O-N 3.24Å; L28-I31 PolarHBondContact O-N 3.28Å; L28-I32 HydrophobicContact CD1-CD1 3.94Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.9Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 2.89Å; L28-I94 HydrophobicContact CD2-CG2 3.8Å; L28-T98 HydrophobicContact CD1-CG2 3.93Å; L28-T98 HydrophobicContact CD2-CG2 4.33Å; L28-Y272 HydrophobicContact CD1-CE1 4.38Å; L28-Y272 HydrophobicContact CD1-CE2 3.78Å |
| 29 | F | 85.9 | Confident | 77.5 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 24% | 0.237 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 176.8 | 177.2 | -94.6 | 0 | 0 | 0 | 112 | N25 C26 L27 I31 I32 L33 L70 I73 S74 L77 | N25-F29 WeakPolarHBondContact O-CB 3.4Å; N25-F29 PolarHBondContact O-N 3.21Å; C26-F29 PolarHBondContact O-N 2.94Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.38Å; F29-I31 VanDerWaalsContact C-N 3.34Å; F29-I31 PolarHBondContact O-N 2.88Å; F29-I32 PolarHBondContact O-N 3.2Å; F29-L33 HydrophobicContact CE1-CD2 4.3Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.2Å; F29-L33 PolarHBondContact O-N 3.19Å; F29-L70 HydrophobicContact CD2-CD1 3.76Å; F29-L70 HydrophobicContact CE2-CD1 3.43Å; F29-L70 VanDerWaalsContact CE2-CD1 3.43Å; F29-L70 HydrophobicContact CE2-CG 4.35Å; F29-L70 HydrophobicContact CZ-CD1 4.11Å; F29-I73 HydrophobicContact CD2-CG2 4.36Å; F29-S74 WeakPolarHBondContact CE2-OG 3.09Å; F29-L77 HydrophobicContact CB-CD1 4.19Å; F29-L77 HydrophobicContact CD2-CD1 4.12Å; F29-L77 HydrophobicContact CG-CD1 4.36Å |
| 30 | L | 87.9 | Confident | 80 | Confident | 87 Ų | 87 | 61 Ų | 61 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 178.3 | -71.7 | 170.5 | 0 | 0 | 0 | 112.2 | L22 C26 L27 L28 L33 G34 | L22-L30 HydrophobicContact CD2-CD1 4.48Å; C26-L30 WeakPolarHBondContact O-CG 3.29Å; C26-L30 PolarHBondContact O-N 3.14Å; L27-L30 PolarHBondContact O-N 3.17Å; L28-L30 PolarHBondContact O-N 3.24Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-G34 PolarHBondContact O-N 3.28Å |
| 31 | I | 88.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 176.6 | -71.3 | 168.6 | 0 | 0 | 0 | 110.8 | L27 L28 F29 L33 G34 K35 Y272 I273 | L27-I31 HydrophobicContact CD1-CD1 4.32Å; L27-I31 HydrophobicContact CG-CD1 3.91Å; L27-I31 VanDerWaalsContact O-CG1 3.28Å; L27-I31 WeakPolarHBondContact O-CG1 3.46Å; L27-I31 PolarHBondContact O-N 3.48Å; L28-I31 PolarHBondContact O-N 3.28Å; F29-I31 VanDerWaalsContact C-N 3.34Å; F29-I31 PolarHBondContact O-N 2.88Å; I31-L33 VanDerWaalsContact C-N 3.35Å; I31-G34 PolarHBondContact O-N 2.83Å; I31-K35 PolarHBondContact O-N 2.89Å; I31-Y272 HydrophobicContact CG2-CE2 3.88Å; I31-I273 HydrophobicContact CG2-CD1 3.34Å; I31-I273 HydrophobicContact CG2-CG1 3.71Å |
| 32 | I | 87.8 | Confident | 84 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.015 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 179.5 | -66.1 | 171.3 | 0 | 0 | 0 | 110.4 | L28 F29 K35 I36 L69 L70 I73 Y272 | L28-I32 HydrophobicContact CD1-CD1 3.94Å; L28-I32 HydrophobicContact CD1-CG1 4.36Å; L28-I32 HydrophobicContact CG-CD1 3.9Å; L28-I32 WeakPolarHBondContact O-CG1 3.39Å; L28-I32 PolarHBondContact O-N 2.89Å; F29-I32 PolarHBondContact O-N 3.2Å; I32-K35 WeakPolarHBondContact O-CB 3.33Å; I32-K35 PolarHBondContact O-N 2.85Å; I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 WeakPolarHBondContact O-CD1 3.25Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.46Å; I32-L69 HydrophobicContact CD1-CD2 4.16Å; I32-L70 HydrophobicContact CG2-CB 4.15Å; I32-L70 HydrophobicContact CG2-CD1 4.04Å; I32-I73 HydrophobicContact CD1-CD1 3.42Å; I32-I73 VanDerWaalsContact CD1-CD1 3.42Å; I32-Y272 HydrophobicContact CG1-CD2 4.49Å |
| 33 | L | 90.4 | Very high | 85.6 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 30% | 0.298 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 174.4 | -178.7 | 67.8 | 0 | 0 | 0 | 111.2 | F29 L30 I31 K35 I36 L37 L70 | F29-L33 HydrophobicContact CE1-CD2 4.3Å; F29-L33 VanDerWaalsContact O-CB 3.29Å; F29-L33 WeakPolarHBondContact O-CB 3.2Å; F29-L33 PolarHBondContact O-N 3.19Å; L30-L33 PolarHBondContact O-N 3.33Å; I31-L33 VanDerWaalsContact C-N 3.35Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.96Å; L33-I36 PolarHBondContact O-N 3.46Å; L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.07Å; L33-L70 HydrophobicContact CB-CD1 4.48Å; L33-L70 HydrophobicContact CD1-CD2 3.91Å |
| 34 | G | 90.2 | Very high | 86.2 | Confident | 36 Ų | 36 | 51.6 Ų | 51.6 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 I31 I36 L37 L38 | L30-G34 PolarHBondContact O-N 3.28Å; I31-G34 PolarHBondContact O-N 2.83Å; G34-I36 PolarHBondContact O-N 3.35Å; G34-L37 PolarHBondContact O-N 3.39Å; G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.41Å |
| 35 | K | 91 | Very high | 86.7 | Confident | 10 Ų | 10 | 54 Ų | 54 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.5 | -46.2 | 174.2 | -175.5 | -167.4 | 179.1 | -169 | 0 | 111.9 | I31 I32 L33 L38 N39 D66 Y272 M275 N276 | I31-K35 PolarHBondContact O-N 2.89Å; I32-K35 WeakPolarHBondContact O-CB 3.33Å; I32-K35 PolarHBondContact O-N 2.85Å; L33-K35 VanDerWaalsContact C-N 3.31Å; L33-K35 PolarHBondContact O-N 2.96Å; K35-L38 WeakPolarHBondContact O-CB 3.47Å; K35-L38 PolarHBondContact O-N 3.44Å; K35-N39 WeakPolarHBondContact O-CB 3.49Å; K35-N39 VanDerWaalsContact O-CG 3.3Å; K35-N39 PolarHBondContact O-N 2.76Å; K35-D66 VanDerWaalsContact CE-OD2 3.23Å; K35-D66 WeakPolarHBondContact CE-OD2 3.26Å; K35-D66 IonicContact NZ-OD1 3.84Å; K35-D66 PolarHBondContact NZ-OD1 3.27Å; K35-D66 IonicContact NZ-OD2 2.64Å; K35-D66 PolarHBondContact NZ-OD2 3.17Å; K35-Y272 WeakPolarHBondContact CE-O 2.98Å; K35-Y272 PolarHBondContact NZ-O 2.91Å; K35-M275 WeakPolarHBondContact CE-O 3.3Å; K35-M275 PolarHBondContact NZ-O 3.39Å; K35-N276 HydrophobicContact CG-CB 4.47Å |
| 36 | I | 90.9 | Very high | 86.8 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.046 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.9 | -43.8 | -179.1 | -71.5 | 159.4 | 0 | 0 | 0 | 111.3 | I32 L33 G34 L38 N39 I40 D66 L70 | I32-I36 HydrophobicContact CG2-CD1 3.83Å; I32-I36 WeakPolarHBondContact O-CD1 3.25Å; I32-I36 WeakPolarHBondContact O-CG1 3.33Å; I32-I36 PolarHBondContact O-N 3.46Å; L33-I36 PolarHBondContact O-N 3.46Å; G34-I36 PolarHBondContact O-N 3.35Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 3.02Å; I36-N39 WeakPolarHBondContact O-CB 3.3Å; I36-N39 PolarHBondContact O-N 3.49Å; I36-I40 HydrophobicContact CG2-CD1 3.65Å; I36-I40 HydrophobicContact CG2-CG1 4.27Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å; I36-D66 HydrophobicContact CD1-CB 4.26Å; I36-D66 WeakPolarHBondContact CD1-O 3.03Å; I36-D66 HydrophobicContact CG1-CB 3.74Å; I36-L70 HydrophobicContact CD1-CB 3.41Å; I36-L70 VanDerWaalsContact CD1-CB 3.41Å; I36-L70 HydrophobicContact CD1-CD1 4.44Å; I36-L70 HydrophobicContact CD1-CD2 3.57Å; I36-L70 HydrophobicContact CD1-CG 3.97Å |
| 37 | L | 91.1 | Very high | 86.4 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 53% | 0.534 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 175.6 | -70.6 | 174.6 | 0 | 0 | 0 | 110.9 | L33 G34 N39 I40 F41 | L33-L37 HydrophobicContact CG-CD1 4.21Å; L33-L37 WeakPolarHBondContact O-CG 3.38Å; L33-L37 PolarHBondContact O-N 2.07Å; G34-L37 PolarHBondContact O-N 3.39Å; L37-N39 PolarHBondContact O-N 3.1Å; L37-I40 PolarHBondContact O-N 2.92Å; L37-F41 WeakPolarHBondContact O-CB 3.44Å; L37-F41 PolarHBondContact O-N 3.49Å |
| 38 | L | 90 | Very high | 85.3 | Confident | 80 Ų | 80 | 64 Ų | 64 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.8 | -179.1 | 65.2 | 0 | 0 | 0 | 111.8 | G34 K35 I36 F41 T42 P278 | G34-L38 WeakPolarHBondContact O-CB 3.23Å; G34-L38 PolarHBondContact O-N 3.41Å; K35-L38 WeakPolarHBondContact O-CB 3.47Å; K35-L38 PolarHBondContact O-N 3.44Å; I36-L38 VanDerWaalsContact C-N 3.29Å; I36-L38 PolarHBondContact O-N 3.02Å; L38-F41 PolarHBondContact O-N 2.81Å; L38-T42 WeakPolarHBondContact O-CB 3.39Å; L38-T42 PolarHBondContact O-N 2.73Å; L38-T42 PolarHBondContact O-OG1 3Å; L38-P278 HydrophobicContact CD1-CG 4.13Å; L38-P278 HydrophobicContact CD2-CG 3.9Å; L38-P278 HydrophobicContact CG-CG 3.75Å |
| 39 | N | 91.5 | Very high | 84 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 177.7 | -79.9 | -9 | 0 | 0 | 0 | 112.1 | K35 I36 L37 T42 L43 D66 I277 | K35-N39 WeakPolarHBondContact O-CB 3.49Å; K35-N39 VanDerWaalsContact O-CG 3.3Å; K35-N39 PolarHBondContact O-N 2.76Å; I36-N39 WeakPolarHBondContact O-CB 3.3Å; I36-N39 PolarHBondContact O-N 3.49Å; L37-N39 PolarHBondContact O-N 3.1Å; N39-T42 PolarHBondContact O-N 3.42Å; N39-L43 WeakPolarHBondContact O-CG 3.07Å; N39-L43 PolarHBondContact O-N 3.12Å; N39-D66 PolarHBondContact ND2-OD2 3.02Å; N39-I277 HydrophobicContact CB-CB 4.28Å; N39-I277 HydrophobicContact CB-CD1 3.68Å; N39-I277 HydrophobicContact CB-CG1 3.98Å; N39-I277 WeakPolarHBondContact OD1-CB 3.31Å; N39-I277 WeakPolarHBondContact OD1-CG1 3.34Å; N39-I277 PolarHBondContact OD1-N 2.71Å |
| 40 | I | 88.6 | Confident | 82.7 | Confident | 96 Ų | 96 | 68.5 Ų | 68.5 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -46 | 178.8 | -67.9 | 169.6 | 0 | 0 | 0 | 110.6 | I36 L37 T42 L43 G44 | I36-I40 HydrophobicContact CG2-CD1 3.65Å; I36-I40 HydrophobicContact CG2-CG1 4.27Å; I36-I40 WeakPolarHBondContact O-CG1 3.32Å; I36-I40 PolarHBondContact O-N 3.08Å; L37-I40 PolarHBondContact O-N 2.92Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.48Å; I40-L43 PolarHBondContact O-N 3.09Å; I40-G44 PolarHBondContact O-N 2.86Å |
| 41 | F | 88.4 | Confident | 81.2 | Confident | 129 Ų | 129 | 68.1 Ų | 68.1 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 178.3 | 179.6 | -108.9 | 0 | 0 | 0 | 111.3 | L37 L38 L43 G44 M45 | L37-F41 WeakPolarHBondContact O-CB 3.44Å; L37-F41 PolarHBondContact O-N 3.49Å; L38-F41 PolarHBondContact O-N 2.81Å; F41-L43 PolarHBondContact O-N 3.1Å; F41-G44 PolarHBondContact O-N 3.35Å; F41-G44 VanDerWaalsContact O-N 3.12Å; F41-M45 HydrophobicContact CD1-CG 4.38Å; F41-M45 HydrophobicContact CD1-SD 3.75Å; F41-M45 HydrophobicContact CD2-CG 4.48Å; F41-M45 HydrophobicContact CE1-CE 4.45Å; F41-M45 HydrophobicContact CE1-CG 4.07Å; F41-M45 HydrophobicContact CE1-SD 3.08Å; F41-M45 WeakPolarHBondContact CE1-SD 3.41Å; F41-M45 HydrophobicContact CE2-CG 4.14Å; F41-M45 HydrophobicContact CE2-SD 4.07Å; F41-M45 HydrophobicContact CG-SD 4.49Å; F41-M45 HydrophobicContact CZ-CE 4.33Å; F41-M45 HydrophobicContact CZ-CG 3.93Å; F41-M45 HydrophobicContact CZ-SD 3.26Å; F41-M45 WeakPolarHBondContact CZ-SD 3.21Å; F41-M45 WeakPolarHBondContact O-CG 3.42Å; F41-M45 PolarHBondContact O-N 2.84Å |
| 42 | T | 86.4 | Confident | 80.3 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 8% | 0.08 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 178.4 | -52.4 | 0 | 0 | 0 | 0 | 111.7 | L38 N39 I40 G44 M45 I277 P278 Y281 F311 | L38-T42 WeakPolarHBondContact O-CB 3.39Å; L38-T42 PolarHBondContact O-N 2.73Å; L38-T42 PolarHBondContact O-OG1 3Å; N39-T42 PolarHBondContact O-N 3.42Å; I40-T42 VanDerWaalsContact C-N 3.32Å; I40-T42 PolarHBondContact O-N 3.48Å; T42-G44 VanDerWaalsContact C-N 3.29Å; T42-G44 PolarHBondContact O-N 3.06Å; T42-M45 PolarHBondContact O-N 3.22Å; T42-I277 HydrophobicContact CG2-CG2 3.88Å; T42-P278 HydrophobicContact CG2-CG 4.27Å; T42-P278 WeakPolarHBondContact OG1-CG 3.19Å; T42-Y281 HydrophobicContact CG2-CD2 3.69Å; T42-Y281 HydrophobicContact CG2-CE2 4.01Å; T42-F311 HydrophobicContact CG2-CE1 4.48Å; T42-F311 HydrophobicContact CG2-CE2 4.2Å; T42-F311 HydrophobicContact CG2-CZ 3.65Å; T42-F311 WeakPolarHBondContact O-CZ 3.23Å |
| 43 | L | 85.9 | Confident | 79.9 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 25% | 0.246 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 172.9 | -75.2 | 173.5 | 0 | 0 | 0 | 112.2 | N39 I40 F41 C59 A63 I277 Y281 | N39-L43 WeakPolarHBondContact O-CG 3.07Å; N39-L43 PolarHBondContact O-N 3.12Å; I40-L43 PolarHBondContact O-N 3.09Å; F41-L43 PolarHBondContact O-N 3.1Å; L43-C59 HydrophobicContact CD2-CB 4.23Å; L43-A63 HydrophobicContact CD1-CB 3.93Å; L43-I277 HydrophobicContact CD1-CD1 3.53Å; L43-I277 HydrophobicContact CD2-CD1 4.06Å; L43-I277 HydrophobicContact CD2-CG2 4.34Å; L43-I277 HydrophobicContact CG-CD1 3.6Å; L43-I277 HydrophobicContact CG-CG2 4.3Å; L43-Y281 HydrophobicContact CD2-CE2 4.4Å |
| 44 | G | 83.6 | Confident | 79.9 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -71.6 | -34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I40 F41 T42 R46 | I40-G44 PolarHBondContact O-N 2.86Å; F41-G44 PolarHBondContact O-N 3.35Å; F41-G44 VanDerWaalsContact O-N 3.12Å; T42-G44 VanDerWaalsContact C-N 3.29Å; T42-G44 PolarHBondContact O-N 3.06Å; G44-R46 VanDerWaalsContact C-N 3.25Å; G44-R46 PolarHBondContact O-N 3.18Å |
| 45 | M | 83.1 | Confident | 79.8 | Confident | 112 Ų | 112 | 64.7 Ų | 64.7 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.1 | -12.9 | 178.8 | -73.9 | -173.1 | 80.6 | 0 | 0 | 114.2 | F41 T42 F311 | F41-M45 HydrophobicContact CD1-CG 4.38Å; F41-M45 HydrophobicContact CD1-SD 3.75Å; F41-M45 HydrophobicContact CD2-CG 4.48Å; F41-M45 HydrophobicContact CE1-CE 4.45Å; F41-M45 HydrophobicContact CE1-CG 4.07Å; F41-M45 HydrophobicContact CE1-SD 3.08Å; F41-M45 WeakPolarHBondContact CE1-SD 3.41Å; F41-M45 HydrophobicContact CE2-CG 4.14Å; F41-M45 HydrophobicContact CE2-SD 4.07Å; F41-M45 HydrophobicContact CG-SD 4.49Å; F41-M45 HydrophobicContact CZ-CE 4.33Å; F41-M45 HydrophobicContact CZ-CG 3.93Å; F41-M45 HydrophobicContact CZ-SD 3.26Å; F41-M45 WeakPolarHBondContact CZ-SD 3.21Å; F41-M45 WeakPolarHBondContact O-CG 3.42Å; F41-M45 PolarHBondContact O-N 2.84Å; T42-M45 PolarHBondContact O-N 3.22Å; M45-F311 HydrophobicContact CB-CE1 4.24Å |
| 46 | R | 77.8 | Confident | 79.6 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 18% | 0.177 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -62.6 | 141.8 | -176.9 | 162.1 | 167.7 | 164.2 | -128.7 | -0.6 | 112.1 | G44 K48 T50 E56 Y281 P310 | G44-R46 VanDerWaalsContact C-N 3.25Å; G44-R46 PolarHBondContact O-N 3.18Å; R46-K48 PolarHBondContact O-N 3.03Å; R46-T50 PolarHBondContact NE-OG1 2.87Å; R46-T50 PolarHBondContact NH2-OG1 2.93Å; R46-E56 IonicContact CZ-OE1 2.66Å; R46-E56 IonicContact CZ-OE2 3.64Å; R46-E56 VanDerWaalsContact NH1-CG 3.34Å; R46-E56 IonicContact NH1-OE1 3.18Å; R46-E56 PolarHBondContact NH1-OE1 2.84Å; R46-E56 IonicContact NH1-OE2 2.85Å; R46-E56 IonicContact NH2-OE1 3.56Å; R46-E56 PolarHBondContact NH2-OE1 2.86Å; R46-E56 IonicContact NH2-OE2 3.19Å; R46-E56 PolarHBondContact NH2-OE2 3.34Å; R46-Y281 WeakPolarHBondContact CD-OH 3.4Å; R46-P310 HydrophobicContact CB-CB 4.22Å; R46-P310 HydrophobicContact CG-CB 3.53Å |
| 47 | R | 68.4 | Low | 79.6 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | trans | -64.9 | 130 | 173.5 | -67.8 | 174.3 | 176.8 | 179.6 | -1.1 | 112.1 | N49 T50 P310 | R47-N49 VanDerWaalsContact C-N 3.27Å; R47-N49 PolarHBondContact O-N 3.22Å; R47-N49 VanDerWaalsContact O-N 3.17Å; R47-T50 PolarHBondContact O-OG1 3.39Å; R47-P310 WeakPolarHBondContact CG-O 3.43Å; R47-P310 PolarHBondContact N-O 3.43Å | ||
| 48 | K | 60 | Low | 79.7 | Confident | 205 Ų | 205 | 61.7 Ų | 61.7 | 89% | 0.891 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.9 | -172.7 | -68 | -177.9 | 178.5 | 178.2 | 0 | 116.1 | R46 | R46-K48 PolarHBondContact O-N 3.03Š|
| 49 | N | 56.4 | Low | 79.7 | Confident | 143 Ų | 143 | 57.9 Ų | 57.9 | 77% | 0.765 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 11.2 | -170.8 | -73.4 | 0.9 | 0 | 0 | 0 | 115.1 | R47 L308 | R47-N49 VanDerWaalsContact C-N 3.27Å; R47-N49 PolarHBondContact O-N 3.22Å; R47-N49 VanDerWaalsContact O-N 3.17Å; N49-L308 VanDerWaalsContact O-CD1 3.25Å; N49-L308 WeakPolarHBondContact O-CD1 3.1Å |
| 50 | T | 59.6 | Low | 79.7 | Confident | 18 Ų | 18 | 61.9 Ų | 61.9 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | trans | -73.6 | 131.3 | 178.6 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | R46 R47 L308 P310 | R46-T50 PolarHBondContact NE-OG1 2.87Å; R46-T50 PolarHBondContact NH2-OG1 2.93Å; R47-T50 PolarHBondContact O-OG1 3.39Å; T50-L308 HydrophobicContact CG2-CB 4.14Å; T50-P310 HydrophobicContact CG2-CB 3.98Å | ||
| 51 | C | 55.7 | Low | 80 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 53% | 0.534 | 30% | 0.299 | S | S | . | . | trans | -54.7 | 144.7 | 168.7 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | N53 | C51-N53 PolarHBondContact O-N 3.41Š| ||
| 52 | Q | 68.9 | Low | 80.2 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 26% | 0.257 | 27% | 0.272 | S | S | . | . | trans | -73.6 | 106.6 | -178.3 | -70.8 | -176.8 | -2.9 | 0 | 0 | 110.9 | E56 Y57 F132 | Q52-E56 WeakPolarHBondContact CA-OE2 3.48Å; Q52-Y57 HydrophobicContact CB-CE2 4.08Å; Q52-Y57 PolarHBondContact OE1-OH 3.14Å; Q52-F132 HydrophobicContact CB-CE2 4.43Å; Q52-F132 VanDerWaalsContact CD-CZ 3.43Å; Q52-F132 HydrophobicContact CG-CE2 4.34Å; Q52-F132 HydrophobicContact CG-CZ 4.24Å | ||
| 53 | N | 81.1 | Confident | 80.5 | Confident | 18 Ų | 18 | 52.5 Ų | 52.5 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | trans | -107.8 | 165.7 | 176.4 | -62.6 | -8.1 | 0 | 0 | 0 | 110.6 | C51 M55 E56 Y120 | C51-N53 PolarHBondContact O-N 3.41Å; N53-M55 VanDerWaalsContact C-N 3.26Å; N53-M55 PolarHBondContact O-N 3.49Å; N53-E56 WeakPolarHBondContact O-CB 3.31Å; N53-E56 PolarHBondContact O-N 2.82Å; N53-E56 VanDerWaalsContact O-N 3.12Å; N53-Y120 WeakPolarHBondContact ND2-CE1 3.4Å; N53-Y120 PolarHBondContact ND2-OH 2.7Å | ||
| 54 | F | 89.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.3 | -43.5 | 177.9 | 165.3 | -103.4 | 0 | 0 | 0 | 113.1 | E56 Y57 F58 V112 I115 A116 D119 Y139 T142 V143 I146 | F54-E56 PolarHBondContact O-N 3.43Å; F54-Y57 PolarHBondContact O-N 2.95Å; F54-F58 HydrophobicContact CE1-CB 4.45Å; F54-F58 HydrophobicContact CZ-CB 4.22Å; F54-F58 HydrophobicContact CZ-CD2 4.33Å; F54-F58 HydrophobicContact CZ-CG 4.42Å; F54-F58 PolarHBondContact O-N 3.35Å; F54-V112 HydrophobicContact CE1-CG1 4.14Å; F54-I115 HydrophobicContact CD1-CB 4.42Å; F54-I115 HydrophobicContact CD1-CG2 3.82Å; F54-I115 HydrophobicContact CD2-CG2 3.83Å; F54-I115 HydrophobicContact CE1-CB 3.98Å; F54-I115 HydrophobicContact CE1-CG2 3.72Å; F54-I115 HydrophobicContact CE2-CG2 3.74Å; F54-I115 HydrophobicContact CG-CG2 3.87Å; F54-I115 HydrophobicContact CZ-CB 4.08Å; F54-I115 HydrophobicContact CZ-CG2 3.69Å; F54-A116 HydrophobicContact CD1-CB 4.12Å; F54-A116 HydrophobicContact CE1-CB 4.43Å; F54-D119 HydrophobicContact CB-CB 4.12Å; F54-D119 WeakPolarHBondContact CB-OD2 3.41Å; F54-D119 PolarHBondContact N-OD2 3.37Å; F54-Y139 HydrophobicContact CB-CD1 3.9Å; F54-Y139 HydrophobicContact CB-CE1 3.91Å; F54-Y139 HydrophobicContact CD2-CD1 4.4Å; F54-T142 HydrophobicContact CD2-CG2 4.39Å; F54-T142 HydrophobicContact CE2-CG2 4.01Å; F54-V143 HydrophobicContact CD2-CG2 4.18Å; F54-V143 HydrophobicContact CE2-CG2 3.7Å; F54-I146 HydrophobicContact CE2-CD1 3.7Å; F54-I146 HydrophobicContact CZ-CD1 3.46Å; F54-I146 VanDerWaalsContact CZ-CD1 3.46Å |
| 55 | M | 88.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.2 | -32 | -177.6 | -78.5 | -64.7 | -121.8 | 0 | 0 | 113.5 | N53 C59 V112 A116 L280 V283 N284 | N53-M55 VanDerWaalsContact C-N 3.26Å; N53-M55 PolarHBondContact O-N 3.49Å; M55-C59 WeakPolarHBondContact O-CB 3.49Å; M55-C59 PolarHBondContact O-N 2.89Å; M55-C59 PolarHBondContact O-SG 2.62Å; M55-V112 HydrophobicContact CE-CG1 4.43Å; M55-V112 HydrophobicContact SD-CG1 3.83Å; M55-A116 HydrophobicContact CE-CB 4.1Å; M55-A116 HydrophobicContact CG-CB 3.8Å; M55-A116 HydrophobicContact SD-CB 3.86Å; M55-L280 HydrophobicContact CE-CD2 4.24Å; M55-L280 HydrophobicContact SD-CD2 4.46Å; M55-V283 HydrophobicContact CE-CB 4.35Å; M55-V283 HydrophobicContact CE-CG1 4.02Å; M55-N284 WeakPolarHBondContact CB-OD1 3.36Å; M55-N284 HydrophobicContact CE-CB 4.31Å; M55-N284 VanDerWaalsContact CG-OD1 3.32Å; M55-N284 WeakPolarHBondContact CG-OD1 3.29Å |
| 56 | E | 87.3 | Confident | 81.7 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.3 | -49.4 | 177.3 | 174.3 | -179.2 | -174.1 | 0 | 0 | 111.7 | R46 Q52 N53 F54 F58 C59 I60 | R46-E56 IonicContact CZ-OE1 2.66Å; R46-E56 IonicContact CZ-OE2 3.64Å; R46-E56 VanDerWaalsContact NH1-CG 3.34Å; R46-E56 IonicContact NH1-OE1 3.18Å; R46-E56 PolarHBondContact NH1-OE1 2.84Å; R46-E56 IonicContact NH1-OE2 2.85Å; R46-E56 IonicContact NH2-OE1 3.56Å; R46-E56 PolarHBondContact NH2-OE1 2.86Å; R46-E56 IonicContact NH2-OE2 3.19Å; R46-E56 PolarHBondContact NH2-OE2 3.34Å; Q52-E56 WeakPolarHBondContact CA-OE2 3.48Å; N53-E56 WeakPolarHBondContact O-CB 3.31Å; N53-E56 PolarHBondContact O-N 2.82Å; N53-E56 VanDerWaalsContact O-N 3.12Å; F54-E56 PolarHBondContact O-N 3.43Å; E56-F58 PolarHBondContact O-N 3.28Å; E56-C59 PolarHBondContact O-N 3.34Å; E56-I60 HydrophobicContact CG-CD1 4.1Å; E56-I60 WeakPolarHBondContact O-CG1 3.31Å; E56-I60 PolarHBondContact O-N 2.91Å |
| 57 | Y | 89.5 | Confident | 82.4 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 177.5 | -77.5 | -84.5 | 0 | 0 | 0 | 111.1 | Q52 F54 I60 S61 K136 Y139 | Q52-Y57 HydrophobicContact CB-CE2 4.08Å; Q52-Y57 PolarHBondContact OE1-OH 3.14Å; F54-Y57 PolarHBondContact O-N 2.95Å; Y57-I60 PolarHBondContact O-N 3.42Å; Y57-S61 PolarHBondContact O-N 3.42Å; Y57-K136 HydrophobicContact CE1-CD 4.42Å; Y57-K136 HydrophobicContact CE1-CG 3.99Å; Y57-K136 WeakPolarHBondContact OH-CD 3.42Å; Y57-K136 VanDerWaalsContact OH-CE 3.28Å; Y57-K136 WeakPolarHBondContact OH-CE 3.48Å; Y57-K136 WeakPolarHBondContact OH-CG 3.46Å; Y57-Y139 AromaticContact CD2-CD2 3.85Å; Y57-Y139 HydrophobicContact CD2-CD2 3.85Å; Y57-Y139 HydrophobicContact CD2-CG 4.21Å; Y57-Y139 AromaticContact CE2-CD2 3.87Å; Y57-Y139 HydrophobicContact CE2-CD2 3.87Å |
| 58 | F | 92.9 | Very high | 83.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.7 | -173 | -95 | 0 | 0 | 0 | 111.9 | F54 E56 I60 S61 L62 L108 V112 V143 W147 M275 L280 | F54-F58 HydrophobicContact CE1-CB 4.45Å; F54-F58 HydrophobicContact CZ-CB 4.22Å; F54-F58 HydrophobicContact CZ-CD2 4.33Å; F54-F58 HydrophobicContact CZ-CG 4.42Å; F54-F58 PolarHBondContact O-N 3.35Å; E56-F58 PolarHBondContact O-N 3.28Å; F58-I60 PolarHBondContact O-N 3.12Å; F58-S61 PolarHBondContact O-N 3.43Å; F58-S61 VanDerWaalsContact O-N 3.17Å; F58-S61 PolarHBondContact O-OG 3.49Å; F58-L62 PolarHBondContact O-N 2.97Å; F58-L108 HydrophobicContact CE2-CD2 3.97Å; F58-L108 HydrophobicContact CE2-CG 4.14Å; F58-L108 HydrophobicContact CZ-CD2 3.45Å; F58-L108 VanDerWaalsContact CZ-CD2 3.45Å; F58-L108 HydrophobicContact CZ-CG 3.75Å; F58-V112 HydrophobicContact CD1-CG1 3.8Å; F58-V112 HydrophobicContact CD1-CG2 4.11Å; F58-V112 HydrophobicContact CD2-CG2 3.87Å; F58-V112 HydrophobicContact CE1-CB 4.44Å; F58-V112 HydrophobicContact CE1-CG1 3.93Å; F58-V112 HydrophobicContact CE1-CG2 3.7Å; F58-V112 HydrophobicContact CE2-CG2 3.42Å; F58-V112 VanDerWaalsContact CE2-CG2 3.42Å; F58-V112 HydrophobicContact CG-CG1 4.2Å; F58-V112 HydrophobicContact CG-CG2 4.21Å; F58-V112 HydrophobicContact CZ-CB 4.49Å; F58-V112 HydrophobicContact CZ-CG1 4.42Å; F58-V112 HydrophobicContact CZ-CG2 3.34Å; F58-V143 HydrophobicContact CB-CG2 4.2Å; F58-V143 HydrophobicContact CD2-CG1 4.35Å; F58-V143 HydrophobicContact CD2-CG2 4.36Å; F58-W147 HydrophobicContact CE2-CZ2 4.25Å; F58-W147 AromaticContact CE2-NE1 3.99Å; F58-W147 HydrophobicContact CZ-CZ2 4.25Å; F58-M275 HydrophobicContact CE1-CE 3.56Å; F58-M275 HydrophobicContact CZ-CE 3.68Å; F58-M275 HydrophobicContact CZ-SD 4.44Å; F58-L280 HydrophobicContact CD1-CD1 3.76Å; F58-L280 HydrophobicContact CD1-CD2 4.07Å; F58-L280 HydrophobicContact CE1-CD1 3.75Å; F58-L280 HydrophobicContact CE1-CD2 3.99Å |
| 59 | C | 91.4 | Very high | 85.1 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.4 | -42.5 | 175.5 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | L43 M55 E56 S61 L62 A63 I277 | L43-C59 HydrophobicContact CD2-CB 4.23Å; M55-C59 WeakPolarHBondContact O-CB 3.49Å; M55-C59 PolarHBondContact O-N 2.89Å; M55-C59 PolarHBondContact O-SG 2.62Å; E56-C59 PolarHBondContact O-N 3.34Å; C59-S61 VanDerWaalsContact C-N 3.35Å; C59-L62 PolarHBondContact O-N 3.18Å; C59-A63 PolarHBondContact O-N 3.36Å; C59-I277 HydrophobicContact CB-CD1 4.27Å; C59-I277 HydrophobicContact CB-CG1 4.3Å; C59-I277 HydrophobicContact CB-CG2 4.45Å; C59-I277 WeakPolarHBondContact O-CD1 3.07Å |
| 60 | I | 90.9 | Very high | 86.8 | Confident | 85 Ų | 85 | 34.6 Ų | 34.6 | 44% | 0.436 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 175.9 | -65.5 | 166.9 | 0 | 0 | 0 | 110.2 | E56 Y57 F58 L62 A63 F64 | E56-I60 HydrophobicContact CG-CD1 4.1Å; E56-I60 WeakPolarHBondContact O-CG1 3.31Å; E56-I60 PolarHBondContact O-N 2.91Å; Y57-I60 PolarHBondContact O-N 3.42Å; F58-I60 PolarHBondContact O-N 3.12Å; I60-L62 VanDerWaalsContact C-N 3.32Å; I60-L62 PolarHBondContact O-N 2.88Å; I60-A63 PolarHBondContact O-N 3.39Å; I60-F64 PolarHBondContact O-N 2.81Å; I60-F64 VanDerWaalsContact O-N 3.08Å |
| 61 | S | 94.1 | Very high | 88.3 | Confident | 22 Ų | 22 | 37 Ų | 37 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.6 | -39 | 177.3 | 79 | 0 | 0 | 0 | 0 | 112.4 | Y57 F58 C59 F64 I65 V143 W147 | Y57-S61 PolarHBondContact O-N 3.42Å; F58-S61 PolarHBondContact O-N 3.43Å; F58-S61 VanDerWaalsContact O-N 3.17Å; F58-S61 PolarHBondContact O-OG 3.49Å; C59-S61 VanDerWaalsContact C-N 3.35Å; S61-F64 WeakPolarHBondContact O-CB 3Å; S61-F64 PolarHBondContact O-N 2.91Å; S61-I65 WeakPolarHBondContact O-CG1 3.35Å; S61-I65 PolarHBondContact O-N 3.3Å; S61-V143 VanDerWaalsContact OG-CG1 3.3Å; S61-V143 WeakPolarHBondContact OG-CG1 3.35Å; S61-W147 PolarHBondContact OG-NE1 3.27Å |
| 62 | L | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -46.6 | 177.5 | -177.2 | 67.2 | 0 | 0 | 0 | 111.3 | F58 C59 I60 F64 I65 D66 Y105 W147 M275 I277 L280 | F58-L62 PolarHBondContact O-N 2.97Å; C59-L62 PolarHBondContact O-N 3.18Å; I60-L62 VanDerWaalsContact C-N 3.32Å; I60-L62 PolarHBondContact O-N 2.88Å; L62-F64 PolarHBondContact O-N 3.07Å; L62-I65 PolarHBondContact O-N 3.42Å; L62-D66 PolarHBondContact O-N 3.4Å; L62-Y105 HydrophobicContact CD1-CD1 4.36Å; L62-Y105 HydrophobicContact CD1-CE1 3.72Å; L62-Y105 HydrophobicContact CD1-CE2 4.42Å; L62-W147 HydrophobicContact CD1-CH2 3.94Å; L62-W147 HydrophobicContact CD1-CZ2 4.14Å; L62-M275 HydrophobicContact CD2-CG 4.28Å; L62-I277 HydrophobicContact CD2-CG1 4.34Å; L62-L280 HydrophobicContact CD2-CD1 3.59Å |
| 63 | A | 92.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 15% | 0.149 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L43 C59 I60 L67 I277 | L43-A63 HydrophobicContact CD1-CB 3.93Å; C59-A63 PolarHBondContact O-N 3.36Å; I60-A63 PolarHBondContact O-N 3.39Å; A63-L67 WeakPolarHBondContact O-CB 3.08Å; A63-L67 PolarHBondContact O-N 3.48Å; A63-I277 HydrophobicContact CB-CD1 3.98Å |
| 64 | F | 92.3 | Very high | 91.2 | Very high | 130 Ų | 130 | 34.3 Ų | 34.3 | 57% | 0.57 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.5 | -43.9 | 177.2 | -179.2 | -101.1 | 0 | 0 | 0 | 112.4 | I60 S61 L62 L67 L68 | I60-F64 PolarHBondContact O-N 2.81Å; I60-F64 VanDerWaalsContact O-N 3.08Å; S61-F64 WeakPolarHBondContact O-CB 3Å; S61-F64 PolarHBondContact O-N 2.91Å; L62-F64 PolarHBondContact O-N 3.07Å; F64-L67 PolarHBondContact O-N 3.25Å; F64-L68 WeakPolarHBondContact O-CB 3.45Å; F64-L68 PolarHBondContact O-N 2.61Å |
| 65 | I | 93.4 | Very high | 91.2 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 20% | 0.195 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 177.1 | -64.9 | -64.5 | 0 | 0 | 0 | 111.4 | S61 L62 L67 L68 L69 I101 W147 | S61-I65 WeakPolarHBondContact O-CG1 3.35Å; S61-I65 PolarHBondContact O-N 3.3Å; L62-I65 PolarHBondContact O-N 3.42Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.12Å; I65-L68 WeakPolarHBondContact O-CB 3.21Å; I65-L68 PolarHBondContact O-N 2.91Å; I65-L69 PolarHBondContact O-N 2.87Å; I65-I101 HydrophobicContact CG2-CD1 3.73Å; I65-W147 HydrophobicContact CB-CH2 4.26Å; I65-W147 HydrophobicContact CB-CZ2 4.44Å; I65-W147 HydrophobicContact CG1-CD2 4.5Å; I65-W147 HydrophobicContact CG1-CH2 4.09Å; I65-W147 HydrophobicContact CG1-CZ2 3.96Å; I65-W147 HydrophobicContact CG1-CZ3 4.39Å; I65-W147 HydrophobicContact CG2-CH2 4.18Å; I65-W147 HydrophobicContact CG2-CZ3 4.28Å |
| 66 | D | 92.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.5 | -80.9 | -39.1 | 0 | 0 | 0 | 110.9 | K35 I36 N39 L62 L69 L70 Y105 | K35-D66 VanDerWaalsContact CE-OD2 3.23Å; K35-D66 WeakPolarHBondContact CE-OD2 3.26Å; K35-D66 IonicContact NZ-OD1 3.84Å; K35-D66 PolarHBondContact NZ-OD1 3.27Å; K35-D66 IonicContact NZ-OD2 2.64Å; K35-D66 PolarHBondContact NZ-OD2 3.17Å; I36-D66 HydrophobicContact CD1-CB 4.26Å; I36-D66 WeakPolarHBondContact CD1-O 3.03Å; I36-D66 HydrophobicContact CG1-CB 3.74Å; N39-D66 PolarHBondContact ND2-OD2 3.02Å; L62-D66 PolarHBondContact O-N 3.4Å; D66-L69 WeakPolarHBondContact O-CB 3.2Å; D66-L69 PolarHBondContact O-N 2.92Å; D66-L70 PolarHBondContact O-N 3.05Å; D66-Y105 PolarHBondContact OD1-OH 2.89Å |
| 67 | L | 92.1 | Very high | 90.9 | Very high | 83 Ų | 83 | 38.6 Ų | 38.6 | 44% | 0.435 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.6 | -177.3 | 68.4 | 0 | 0 | 0 | 111.7 | A63 F64 I65 L69 L70 V71 | A63-L67 WeakPolarHBondContact O-CB 3.08Å; A63-L67 PolarHBondContact O-N 3.48Å; F64-L67 PolarHBondContact O-N 3.25Å; I65-L67 VanDerWaalsContact C-N 3.34Å; I65-L67 PolarHBondContact O-N 3.12Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.44Å; L67-L70 PolarHBondContact O-N 2.99Å; L67-V71 WeakPolarHBondContact O-CG2 3.4Å; L67-V71 PolarHBondContact O-N 3.41Å |
| 68 | L | 92.8 | Very high | 90.7 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 46% | 0.461 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 176 | -171.4 | 91 | 0 | 0 | 0 | 110.6 | F64 I65 V71 N72 | F64-L68 WeakPolarHBondContact O-CB 3.45Å; F64-L68 PolarHBondContact O-N 2.61Å; I65-L68 WeakPolarHBondContact O-CB 3.21Å; I65-L68 PolarHBondContact O-N 2.91Å; L68-V71 PolarHBondContact O-N 3.44Å; L68-N72 PolarHBondContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 3.27Å |
| 69 | L | 91.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 176.7 | 179.5 | 66 | 0 | 0 | 0 | 111.3 | I32 I65 D66 L67 V71 N72 I73 F97 I101 | I32-L69 HydrophobicContact CD1-CD2 4.16Å; I65-L69 PolarHBondContact O-N 2.87Å; D66-L69 WeakPolarHBondContact O-CB 3.2Å; D66-L69 PolarHBondContact O-N 2.92Å; L67-L69 VanDerWaalsContact C-N 3.31Å; L67-L69 PolarHBondContact O-N 3.44Å; L69-V71 PolarHBondContact O-N 2.9Å; L69-N72 PolarHBondContact O-N 3.38Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CD2-CD1 4.49Å; L69-I73 HydrophobicContact CG-CD1 3.86Å; L69-I73 WeakPolarHBondContact O-CG1 3.26Å; L69-I73 PolarHBondContact O-N 2.98Å; L69-F97 HydrophobicContact CD1-CB 3.78Å; L69-I101 HydrophobicContact CD1-CG1 4.16Å; L69-I101 HydrophobicContact CD2-CB 4.27Å; L69-I101 HydrophobicContact CD2-CG1 4.12Å; L69-I101 HydrophobicContact CD2-CG2 4.07Å |
| 70 | L | 92 | Very high | 89.3 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 178.5 | -179.4 | 70.6 | 0 | 0 | 0 | 111.9 | F29 I32 L33 I36 D66 L67 N72 I73 S74 | F29-L70 HydrophobicContact CD2-CD1 3.76Å; F29-L70 HydrophobicContact CE2-CD1 3.43Å; F29-L70 VanDerWaalsContact CE2-CD1 3.43Å; F29-L70 HydrophobicContact CE2-CG 4.35Å; F29-L70 HydrophobicContact CZ-CD1 4.11Å; I32-L70 HydrophobicContact CG2-CB 4.15Å; I32-L70 HydrophobicContact CG2-CD1 4.04Å; L33-L70 HydrophobicContact CB-CD1 4.48Å; L33-L70 HydrophobicContact CD1-CD2 3.91Å; I36-L70 HydrophobicContact CD1-CB 3.41Å; I36-L70 VanDerWaalsContact CD1-CB 3.41Å; I36-L70 HydrophobicContact CD1-CD1 4.44Å; I36-L70 HydrophobicContact CD1-CD2 3.57Å; I36-L70 HydrophobicContact CD1-CG 3.97Å; D66-L70 PolarHBondContact O-N 3.05Å; L67-L70 PolarHBondContact O-N 2.99Å; L70-N72 PolarHBondContact O-N 3.36Å; L70-I73 PolarHBondContact O-N 3.02Å; L70-S74 WeakPolarHBondContact O-CB 3.33Å; L70-S74 PolarHBondContact O-N 3.2Å; L70-S74 PolarHBondContact O-OG 3.32Å |
| 71 | V | 91.1 | Very high | 88.8 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 42% | 0.418 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | L67 L68 L69 I73 S74 I75 | L67-V71 WeakPolarHBondContact O-CG2 3.4Å; L67-V71 PolarHBondContact O-N 3.41Å; L68-V71 PolarHBondContact O-N 3.44Å; L69-V71 PolarHBondContact O-N 2.9Å; V71-I73 PolarHBondContact O-N 2.87Å; V71-S74 WeakPolarHBondContact O-CB 3.31Å; V71-S74 PolarHBondContact O-N 3.13Å; V71-I75 HydrophobicContact CG1-CD1 3.79Å; V71-I75 HydrophobicContact CG1-CG1 4.46Å; V71-I75 VanDerWaalsContact O-CG1 3.27Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.98Å |
| 72 | N | 89.5 | Confident | 88.2 | Confident | 54 Ų | 54 | 60.9 Ų | 60.9 | 29% | 0.289 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -46 | 177.7 | -80.2 | -75.3 | 0 | 0 | 0 | 112.2 | L68 L69 L70 S74 I75 I76 F97 | L68-N72 PolarHBondContact O-N 3.15Å; L68-N72 PolarHBondContact O-ND2 3.27Å; L69-N72 PolarHBondContact O-N 3.38Å; L70-N72 PolarHBondContact O-N 3.36Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 2.74Å; N72-I75 PolarHBondContact O-N 3.3Å; N72-I76 VanDerWaalsContact O-CG1 3.28Å; N72-I76 WeakPolarHBondContact O-CG1 3.5Å; N72-I76 PolarHBondContact O-N 2.9Å; N72-F97 HydrophobicContact CB-CD2 4.48Å; N72-F97 HydrophobicContact CB-CE2 4.49Å |
| 73 | I | 88.4 | Confident | 87.7 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 176.9 | -67.5 | 173.6 | 0 | 0 | 0 | 110.6 | F29 I32 L69 L70 V71 I75 I76 L77 I94 | F29-I73 HydrophobicContact CD2-CG2 4.36Å; I32-I73 HydrophobicContact CD1-CD1 3.42Å; I32-I73 VanDerWaalsContact CD1-CD1 3.42Å; L69-I73 HydrophobicContact CD1-CD1 3.92Å; L69-I73 HydrophobicContact CD1-CG1 4.28Å; L69-I73 HydrophobicContact CD2-CD1 4.49Å; L69-I73 HydrophobicContact CG-CD1 3.86Å; L69-I73 WeakPolarHBondContact O-CG1 3.26Å; L69-I73 PolarHBondContact O-N 2.98Å; L70-I73 PolarHBondContact O-N 3.02Å; V71-I73 PolarHBondContact O-N 2.87Å; I73-I75 PolarHBondContact O-N 3.47Å; I73-I76 PolarHBondContact O-N 2.84Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 WeakPolarHBondContact O-CB 3.39Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 2.74Å; I73-I94 HydrophobicContact CD1-CG2 4.41Å; I73-I94 HydrophobicContact CG1-CG2 4.19Å; I73-I94 HydrophobicContact CG2-CG2 4.1Å |
| 74 | S | 88.9 | Confident | 87.3 | Confident | 41 Ų | 41 | 69.4 Ų | 69.4 | 29% | 0.287 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.1 | -46.7 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | F29 L70 V71 N72 I76 L77 Y78 | F29-S74 WeakPolarHBondContact CE2-OG 3.09Å; L70-S74 WeakPolarHBondContact O-CB 3.33Å; L70-S74 PolarHBondContact O-N 3.2Å; L70-S74 PolarHBondContact O-OG 3.32Å; V71-S74 WeakPolarHBondContact O-CB 3.31Å; V71-S74 PolarHBondContact O-N 3.13Å; N72-S74 VanDerWaalsContact C-N 3.32Å; N72-S74 PolarHBondContact O-N 2.74Å; S74-I76 PolarHBondContact O-N 2.85Å; S74-L77 PolarHBondContact O-N 2.66Å; S74-Y78 VanDerWaalsContact O-CB 3.26Å; S74-Y78 WeakPolarHBondContact O-CB 3.45Å; S74-Y78 PolarHBondContact O-N 3.21Å |
| 75 | I | 88.4 | Confident | 86.7 | Confident | 65 Ų | 65 | 70.5 Ų | 70.5 | 33% | 0.333 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 177.5 | -69.7 | 167.9 | 0 | 0 | 0 | 109.7 | V71 N72 I73 L77 Y78 F79 F82 | V71-I75 HydrophobicContact CG1-CD1 3.79Å; V71-I75 HydrophobicContact CG1-CG1 4.46Å; V71-I75 VanDerWaalsContact O-CG1 3.27Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.98Å; N72-I75 PolarHBondContact O-N 3.3Å; I73-I75 PolarHBondContact O-N 3.47Å; I75-L77 PolarHBondContact O-N 3.47Å; I75-Y78 PolarHBondContact O-N 3Å; I75-F79 HydrophobicContact CG2-CD2 3.75Å; I75-F79 HydrophobicContact CG2-CE2 4.06Å; I75-F79 VanDerWaalsContact O-CD2 3.24Å; I75-F79 WeakPolarHBondContact O-CD2 3.16Å; I75-F79 PolarHBondContact O-N 3.17Å; I75-F82 HydrophobicContact CG2-CE1 3.89Å; I75-F82 HydrophobicContact CG2-CZ 3.69Å |
| 76 | I | 86.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.9 | -39.2 | -179.4 | -59.7 | 162.7 | 0 | 0 | 0 | 111.9 | N72 I73 S74 R80 F82 F89 H93 I94 F97 | N72-I76 VanDerWaalsContact O-CG1 3.28Å; N72-I76 WeakPolarHBondContact O-CG1 3.5Å; N72-I76 PolarHBondContact O-N 2.9Å; I73-I76 PolarHBondContact O-N 2.84Å; S74-I76 PolarHBondContact O-N 2.85Å; I76-R80 WeakPolarHBondContact O-CA 3.28Å; I76-R80 PolarHBondContact O-N 3.13Å; I76-F82 HydrophobicContact CG1-CE1 4.09Å; I76-F89 HydrophobicContact CD1-CD1 4.23Å; I76-F89 HydrophobicContact CG1-CB 4.41Å; I76-F89 HydrophobicContact CG1-CD1 4.43Å; I76-H93 HydrophobicContact CD1-CB 3.99Å; I76-I94 HydrophobicContact CB-CD1 4.21Å; I76-I94 HydrophobicContact CB-CG1 3.97Å; I76-I94 HydrophobicContact CD1-CG1 4.24Å; I76-I94 HydrophobicContact CG2-CD1 3.82Å; I76-I94 HydrophobicContact CG2-CG1 3.68Å; I76-F97 HydrophobicContact CD1-CD2 4.1Å; I76-F97 HydrophobicContact CD1-CE2 3.86Å |
| 77 | L | 83.9 | Confident | 85.3 | Confident | 54 Ų | 54 | 78.8 Ų | 78.8 | 28% | 0.283 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 176.3 | -73.6 | 175.1 | 0 | 0 | 0 | 112.6 | N25 F29 I73 S74 I75 R80 I94 | N25-L77 HydrophobicContact CB-CD2 3.99Å; F29-L77 HydrophobicContact CB-CD1 4.19Å; F29-L77 HydrophobicContact CD2-CD1 4.12Å; F29-L77 HydrophobicContact CG-CD1 4.36Å; I73-L77 HydrophobicContact CG2-CD1 3.76Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 WeakPolarHBondContact O-CB 3.39Å; I73-L77 VanDerWaalsContact O-CG 3.31Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 2.74Å; S74-L77 PolarHBondContact O-N 2.66Å; I75-L77 PolarHBondContact O-N 3.47Å; L77-R80 WeakPolarHBondContact O-CG 3.5Å; L77-I94 HydrophobicContact CD2-CD1 3.54Å; L77-I94 HydrophobicContact CG-CD1 3.79Å |
| 78 | Y | 85.6 | Confident | 84.9 | Confident | 183 Ų | 183 | 82.1 Ų | 82.1 | 72% | 0.718 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.5 | -50.2 | -179.5 | -178.1 | -99.6 | 0 | 0 | 0 | 111.6 | S74 I75 | S74-Y78 VanDerWaalsContact O-CB 3.26Å; S74-Y78 WeakPolarHBondContact O-CB 3.45Å; S74-Y78 PolarHBondContact O-N 3.21Å; I75-Y78 PolarHBondContact O-N 3Å |
| 79 | F | 83.3 | Confident | 84.3 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 52% | 0.518 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -82.9 | -16.9 | -178.1 | -67.6 | -70.4 | 0 | 0 | 0 | 113.5 | I75 D81 F82 | I75-F79 HydrophobicContact CG2-CD2 3.75Å; I75-F79 HydrophobicContact CG2-CE2 4.06Å; I75-F79 VanDerWaalsContact O-CD2 3.24Å; I75-F79 WeakPolarHBondContact O-CD2 3.16Å; I75-F79 PolarHBondContact O-N 3.17Å; F79-D81 PolarHBondContact O-N 3.45Å; F79-F82 HydrophobicContact CB-CB 4.15Å; F79-F82 HydrophobicContact CB-CD1 3.5Å; F79-F82 VanDerWaalsContact CB-CD1 3.5Å; F79-F82 HydrophobicContact CB-CE1 4.2Å; F79-F82 HydrophobicContact CB-CG 4.07Å; F79-F82 HydrophobicContact CD2-CD1 4.48Å; F79-F82 HydrophobicContact CG-CD1 4.29Å |
| 80 | R | 72.1 | Confident | 83.9 | Confident | 191 Ų | 191 | 80.7 Ų | 80.7 | 72% | 0.721 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 61.1 | -43.7 | 180 | -62.6 | -176 | 175.5 | -164.3 | -0.3 | 116.1 | I76 L77 | I76-R80 WeakPolarHBondContact O-CA 3.28Å; I76-R80 PolarHBondContact O-N 3.13Å; L77-R80 WeakPolarHBondContact O-CG 3.5Å |
| 81 | D | 78.8 | Confident | 83.2 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -156.7 | 110.2 | 178.4 | -163.1 | -14.2 | 0 | 0 | 0 | 109.1 | F79 R88 F89 | F79-D81 PolarHBondContact O-N 3.45Å; D81-R88 WeakPolarHBondContact OD1-CG 3.1Å; D81-R88 IonicContact OD1-CZ 3.75Å; D81-R88 IonicContact OD1-NE 2.82Å; D81-R88 PolarHBondContact OD1-NE 2.92Å; D81-R88 IonicContact OD1-NH2 2.74Å; D81-R88 IonicContact OD2-CZ 3.24Å; D81-R88 VanDerWaalsContact OD2-CZ 3.24Å; D81-R88 IonicContact OD2-NE 3.09Å; D81-R88 PolarHBondContact OD2-NE 3.49Å; D81-R88 VanDerWaalsContact OD2-NE 3.09Å; D81-R88 IonicContact OD2-NH2 3.51Å; D81-R88 PolarHBondContact OD2-NH2 3.1Å; D81-F89 WeakPolarHBondContact CA-O 3.45Å |
| 82 | F | 83.3 | Confident | 82.7 | Confident | 43 Ų | 43 | 86.3 Ų | 86.3 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 154 | -179.7 | 70.7 | -84 | 0 | 0 | 0 | 111.4 | I75 I76 F79 L84 F89 | I75-F82 HydrophobicContact CG2-CE1 3.89Å; I75-F82 HydrophobicContact CG2-CZ 3.69Å; I76-F82 HydrophobicContact CG1-CE1 4.09Å; F79-F82 HydrophobicContact CB-CB 4.15Å; F79-F82 HydrophobicContact CB-CD1 3.5Å; F79-F82 VanDerWaalsContact CB-CD1 3.5Å; F79-F82 HydrophobicContact CB-CE1 4.2Å; F79-F82 HydrophobicContact CB-CG 4.07Å; F79-F82 HydrophobicContact CD2-CD1 4.48Å; F79-F82 HydrophobicContact CG-CD1 4.29Å; F82-L84 HydrophobicContact CD2-CB 4.09Å; F82-L84 HydrophobicContact CE2-CB 3.82Å; F82-L84 HydrophobicContact CE2-CD2 4.4Å; F82-F89 HydrophobicContact CD1-CB 3.98Å; F82-F89 HydrophobicContact CD2-CD2 4.34Å; F82-F89 HydrophobicContact CE1-CB 3.58Å; F82-F89 HydrophobicContact CE1-CG 4.19Å; F82-F89 HydrophobicContact CE2-CB 4.17Å; F82-F89 AromaticContact CE2-CD2 3.73Å; F82-F89 HydrophobicContact CE2-CD2 3.73Å; F82-F89 HydrophobicContact CE2-CE2 4.47Å; F82-F89 HydrophobicContact CE2-CG 4.1Å; F82-F89 HydrophobicContact CG-CB 4.44Å; F82-F89 HydrophobicContact CZ-CB 3.69Å; F82-F89 AromaticContact CZ-CD2 3.89Å; F82-F89 HydrophobicContact CZ-CD2 3.89Å; F82-F89 AromaticContact CZ-CG 3.77Å; F82-F89 HydrophobicContact CZ-CG 3.77Å; F82-F89 PolarHBondContact N-O 3.26Å; F82-F89 PolarHBondContact O-N 3.25Å |
| 83 | V | 83.5 | Confident | 82.4 | Confident | 100 Ų | 100 | 85.2 Ų | 85.2 | 61% | 0.606 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.3 | 177.3 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | I87 R88 | V83-I87 WeakPolarHBondContact CA-O 2.86Å; V83-R88 HydrophobicContact CG2-CB 4.26Å; V83-R88 HydrophobicContact CG2-CG 4.3Å |
| 84 | L | 82.1 | Confident | 82.1 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.8 | 173.8 | -179.3 | 73.2 | 0 | 0 | 0 | 108.1 | F82 S86 I87 F89 | F82-L84 HydrophobicContact CD2-CB 4.09Å; F82-L84 HydrophobicContact CE2-CB 3.82Å; F82-L84 HydrophobicContact CE2-CD2 4.4Å; L84-S86 PolarHBondContact O-N 3.24Å; L84-I87 PolarHBondContact N-O 2.86Å; L84-I87 PolarHBondContact O-N 3.08Å; L84-F89 HydrophobicContact CB-CD2 4.15Å; L84-F89 HydrophobicContact CB-CE2 3.92Å; L84-F89 HydrophobicContact CD2-CE2 4.42Å |
| 85 | L | 80.3 | Confident | 81.8 | Confident | 153 Ų | 153 | 84.4 Ų | 84.4 | 80% | 0.801 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.7 | -178.1 | -63.3 | 166.6 | 0 | 0 | 0 | 113 | I87 | L85-I87 PolarHBondContact O-N 3.47Å; L85-I87 VanDerWaalsContact O-N 3.15Å |
| 86 | S | 77.4 | Confident | 81.7 | Confident | 120 Ų | 120 | 82.9 Ų | 82.9 | 84% | 0.839 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 8.5 | -176.9 | -52.9 | 0 | 0 | 0 | 0 | 115.7 | L84 | L84-S86 PolarHBondContact O-N 3.24Š|
| 87 | I | 79.8 | Confident | 81.7 | Confident | 93 Ų | 93 | 85.3 Ų | 85.3 | 48% | 0.477 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127.9 | 174 | -57.8 | 167.3 | 0 | 0 | 0 | 108.4 | V83 L84 L85 F89 | V83-I87 WeakPolarHBondContact CA-O 2.86Å; L84-I87 PolarHBondContact N-O 2.86Å; L84-I87 PolarHBondContact O-N 3.08Å; L85-I87 PolarHBondContact O-N 3.47Å; L85-I87 VanDerWaalsContact O-N 3.15Å; I87-F89 HydrophobicContact CB-CE2 4.12Å; I87-F89 HydrophobicContact CG2-CD2 4.48Å; I87-F89 HydrophobicContact CG2-CE2 4.04Å; I87-F89 HydrophobicContact CG2-CZ 4.25Å |
| 88 | R | 82.9 | Confident | 81.8 | Confident | 154 Ų | 154 | 83.1 Ų | 83.1 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 109 | 177.6 | -173.4 | -178.2 | -179 | 176.1 | 2.9 | 110.2 | D81 V83 T90 H93 | D81-R88 WeakPolarHBondContact OD1-CG 3.1Å; D81-R88 IonicContact OD1-CZ 3.75Å; D81-R88 IonicContact OD1-NE 2.82Å; D81-R88 PolarHBondContact OD1-NE 2.92Å; D81-R88 IonicContact OD1-NH2 2.74Å; D81-R88 IonicContact OD2-CZ 3.24Å; D81-R88 VanDerWaalsContact OD2-CZ 3.24Å; D81-R88 IonicContact OD2-NE 3.09Å; D81-R88 PolarHBondContact OD2-NE 3.49Å; D81-R88 VanDerWaalsContact OD2-NE 3.09Å; D81-R88 IonicContact OD2-NH2 3.51Å; D81-R88 PolarHBondContact OD2-NH2 3.1Å; V83-R88 HydrophobicContact CG2-CB 4.26Å; V83-R88 HydrophobicContact CG2-CG 4.3Å; R88-T90 HydrophobicContact CG-CG2 4Å; R88-H93 PolarHBondContact O-CE1 3.29Å |
| 89 | F | 82 | Confident | 81.9 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 13% | 0.132 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.5 | 175.7 | -72.6 | -88.3 | 0 | 0 | 0 | 110.4 | I76 D81 F82 L84 I87 H93 F97 | I76-F89 HydrophobicContact CD1-CD1 4.23Å; I76-F89 HydrophobicContact CG1-CB 4.41Å; I76-F89 HydrophobicContact CG1-CD1 4.43Å; D81-F89 WeakPolarHBondContact CA-O 3.45Å; F82-F89 HydrophobicContact CD1-CB 3.98Å; F82-F89 HydrophobicContact CD2-CD2 4.34Å; F82-F89 HydrophobicContact CE1-CB 3.58Å; F82-F89 HydrophobicContact CE1-CG 4.19Å; F82-F89 HydrophobicContact CE2-CB 4.17Å; F82-F89 AromaticContact CE2-CD2 3.73Å; F82-F89 HydrophobicContact CE2-CD2 3.73Å; F82-F89 HydrophobicContact CE2-CE2 4.47Å; F82-F89 HydrophobicContact CE2-CG 4.1Å; F82-F89 HydrophobicContact CG-CB 4.44Å; F82-F89 HydrophobicContact CZ-CB 3.69Å; F82-F89 AromaticContact CZ-CD2 3.89Å; F82-F89 HydrophobicContact CZ-CD2 3.89Å; F82-F89 AromaticContact CZ-CG 3.77Å; F82-F89 HydrophobicContact CZ-CG 3.77Å; F82-F89 PolarHBondContact N-O 3.26Å; F82-F89 PolarHBondContact O-N 3.25Å; L84-F89 HydrophobicContact CB-CD2 4.15Å; L84-F89 HydrophobicContact CB-CE2 3.92Å; L84-F89 HydrophobicContact CD2-CE2 4.42Å; I87-F89 HydrophobicContact CB-CE2 4.12Å; I87-F89 HydrophobicContact CG2-CD2 4.48Å; I87-F89 HydrophobicContact CG2-CE2 4.04Å; I87-F89 HydrophobicContact CG2-CZ 4.25Å; F89-H93 HydrophobicContact CD1-CB 4.14Å; F89-H93 AromaticContact CD1-CD2 3.84Å; F89-H93 AromaticContact CD1-CG 3.95Å; F89-F97 HydrophobicContact CE1-CE2 4.29Å; F89-F97 HydrophobicContact CE1-CZ 4.05Å |
| 90 | T | 82.6 | Confident | 82.1 | Confident | 37 Ų | 37 | 71 Ų | 71 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | trans | -135.3 | 176.4 | -178 | 64.3 | 0 | 0 | 0 | 0 | 109.9 | R88 Y92 H93 | R88-T90 HydrophobicContact CG-CG2 4Å; T90-Y92 PolarHBondContact O-N 3.29Å; T90-Y92 WeakPolarHBondContact OG1-CB 3.45Å; T90-Y92 PolarHBondContact OG1-N 3.23Å; T90-H93 PolarHBondContact N-ND1 3.49Å; T90-H93 WeakPolarHBondContact O-CB 3.18Å; T90-H93 PolarHBondContact O-N 3.06Å | ||
| 91 | K | 77.7 | Confident | 82.9 | Confident | 114 Ų | 114 | 62.9 Ų | 62.9 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -51.1 | -28.2 | 172.8 | -64.6 | -170.7 | 177.9 | -167.7 | 0 | 113.8 | H93 I94 | K91-H93 VanDerWaalsContact C-N 3.25Å; K91-H93 PolarHBondContact O-N 2.94Å; K91-I94 WeakPolarHBondContact O-CB 3.48Å; K91-I94 PolarHBondContact O-N 2.91Å |
| 92 | Y | 78.8 | Confident | 83.4 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 35% | 0.349 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.3 | -38.3 | 174 | 170.1 | -104.8 | 0 | 0 | 0 | 112.5 | T90 I94 C95 L96 L164 P166 | T90-Y92 PolarHBondContact O-N 3.29Å; T90-Y92 WeakPolarHBondContact OG1-CB 3.45Å; T90-Y92 PolarHBondContact OG1-N 3.23Å; Y92-I94 VanDerWaalsContact C-N 3.28Å; Y92-I94 PolarHBondContact O-N 3.4Å; Y92-C95 WeakPolarHBondContact O-CB 3.47Å; Y92-C95 PolarHBondContact O-N 3.01Å; Y92-C95 VanDerWaalsContact O-N 3.17Å; Y92-L96 HydrophobicContact CE1-CB 4.36Å; Y92-L96 HydrophobicContact CE1-CD2 4.03Å; Y92-L96 PolarHBondContact O-N 2.9Å; Y92-L164 PolarHBondContact OH-O 3.47Å; Y92-P166 HydrophobicContact CE2-CB 4.13Å; Y92-P166 HydrophobicContact CE2-CG 4.36Å |
| 93 | H | 83.7 | Confident | 83.6 | Confident | 31 Ų | 31 | 58.6 Ų | 58.6 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.5 | -27.3 | -177.8 | -66.7 | 75.4 | 0 | 0 | 0 | 112.2 | I76 R88 F89 T90 K91 L96 F97 | I76-H93 HydrophobicContact CD1-CB 3.99Å; R88-H93 PolarHBondContact O-CE1 3.29Å; F89-H93 HydrophobicContact CD1-CB 4.14Å; F89-H93 AromaticContact CD1-CD2 3.84Å; F89-H93 AromaticContact CD1-CG 3.95Å; T90-H93 PolarHBondContact N-ND1 3.49Å; T90-H93 WeakPolarHBondContact O-CB 3.18Å; T90-H93 PolarHBondContact O-N 3.06Å; K91-H93 VanDerWaalsContact C-N 3.25Å; K91-H93 PolarHBondContact O-N 2.94Å; H93-L96 PolarHBondContact O-N 3.23Å; H93-F97 HydrophobicContact CB-CE2 4.3Å; H93-F97 WeakPolarHBondContact O-CB 3.43Å; H93-F97 WeakPolarHBondContact O-CD2 3.31Å; H93-F97 VanDerWaalsContact O-CG 3.29Å; H93-F97 WeakPolarHBondContact O-CG 3.46Å; H93-F97 PolarHBondContact O-N 2.93Å |
| 94 | I | 83.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 171.3 | -60.2 | 175.1 | 0 | 0 | 0 | 109.7 | L28 I73 I76 L77 K91 Y92 T98 | L28-I94 HydrophobicContact CD2-CG2 3.8Å; I73-I94 HydrophobicContact CD1-CG2 4.41Å; I73-I94 HydrophobicContact CG1-CG2 4.19Å; I73-I94 HydrophobicContact CG2-CG2 4.1Å; I76-I94 HydrophobicContact CB-CD1 4.21Å; I76-I94 HydrophobicContact CB-CG1 3.97Å; I76-I94 HydrophobicContact CD1-CG1 4.24Å; I76-I94 HydrophobicContact CG2-CD1 3.82Å; I76-I94 HydrophobicContact CG2-CG1 3.68Å; L77-I94 HydrophobicContact CD2-CD1 3.54Å; L77-I94 HydrophobicContact CG-CD1 3.79Å; K91-I94 WeakPolarHBondContact O-CB 3.48Å; K91-I94 PolarHBondContact O-N 2.91Å; Y92-I94 VanDerWaalsContact C-N 3.28Å; Y92-I94 PolarHBondContact O-N 3.4Å; I94-T98 WeakPolarHBondContact O-CB 3.16Å; I94-T98 PolarHBondContact O-N 3.27Å; I94-T98 VanDerWaalsContact O-N 3.12Å; I94-T98 PolarHBondContact O-OG1 2.88Å |
| 95 | C | 82.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -47 | 175.6 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | Y92 T98 Q99 C174 | Y92-C95 WeakPolarHBondContact O-CB 3.47Å; Y92-C95 PolarHBondContact O-N 3.01Å; Y92-C95 VanDerWaalsContact O-N 3.17Å; C95-T98 PolarHBondContact O-N 3.49Å; C95-Q99 WeakPolarHBondContact O-CB 3.34Å; C95-Q99 VanDerWaalsContact O-CG 3.29Å; C95-Q99 WeakPolarHBondContact O-CG 3.46Å; C95-Q99 PolarHBondContact O-N 3.42Å; C95-C174 WeakPolarHBondContact CA-SG 3.4Å; C95-C174 HydrophobicContact CB-CB 3.69Å; C95-C174 WeakPolarHBondContact CB-SG 3.24Å; C95-C174 WeakPolarHBondContact SG-CB 3.21Å; C95-C174 CovalentContact SG-SG 2.03Å; C95-C174 PolarHBondContact SG-SG 3.32Å |
| 96 | L | 85 | Confident | 84.6 | Confident | 32 Ų | 32 | 41.9 Ų | 41.9 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -50.3 | -177 | -177.4 | 66.9 | 0 | 0 | 0 | 111.8 | Y92 H93 T98 Q99 I100 L164 | Y92-L96 HydrophobicContact CE1-CB 4.36Å; Y92-L96 HydrophobicContact CE1-CD2 4.03Å; Y92-L96 PolarHBondContact O-N 2.9Å; H93-L96 PolarHBondContact O-N 3.23Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.47Å; L96-Q99 PolarHBondContact O-N 3.49Å; L96-I100 HydrophobicContact CD1-CD1 4.21Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.69Å; L96-L164 HydrophobicContact CD1-CB 4.2Å; L96-L164 HydrophobicContact CD1-CD2 4.13Å |
| 97 | F | 88 | Confident | 85.2 | Confident | 57 Ų | 57 | 37.9 Ų | 37.9 | 25% | 0.25 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.2 | -66.9 | -36.7 | 0 | 0 | 0 | 112.1 | L69 N72 I76 F89 H93 Q99 I100 I101 | L69-F97 HydrophobicContact CD1-CB 3.78Å; N72-F97 HydrophobicContact CB-CD2 4.48Å; N72-F97 HydrophobicContact CB-CE2 4.49Å; I76-F97 HydrophobicContact CD1-CD2 4.1Å; I76-F97 HydrophobicContact CD1-CE2 3.86Å; F89-F97 HydrophobicContact CE1-CE2 4.29Å; F89-F97 HydrophobicContact CE1-CZ 4.05Å; H93-F97 HydrophobicContact CB-CE2 4.3Å; H93-F97 WeakPolarHBondContact O-CB 3.43Å; H93-F97 WeakPolarHBondContact O-CD2 3.31Å; H93-F97 VanDerWaalsContact O-CG 3.29Å; H93-F97 WeakPolarHBondContact O-CG 3.46Å; H93-F97 PolarHBondContact O-N 2.93Å; F97-Q99 VanDerWaalsContact C-N 3.31Å; F97-Q99 PolarHBondContact O-N 3.49Å; F97-I100 PolarHBondContact O-N 2.96Å; F97-I101 WeakPolarHBondContact O-CB 3.39Å; F97-I101 WeakPolarHBondContact O-CG1 3.28Å; F97-I101 PolarHBondContact O-N 3.19Å |
| 98 | T | 86.3 | Confident | 85.7 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.043 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 177 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | L28 I94 C95 L96 S102 Y272 | L28-T98 HydrophobicContact CD1-CG2 3.93Å; L28-T98 HydrophobicContact CD2-CG2 4.33Å; I94-T98 WeakPolarHBondContact O-CB 3.16Å; I94-T98 PolarHBondContact O-N 3.27Å; I94-T98 VanDerWaalsContact O-N 3.12Å; I94-T98 PolarHBondContact O-OG1 2.88Å; C95-T98 PolarHBondContact O-N 3.49Å; L96-T98 VanDerWaalsContact C-N 3.33Å; L96-T98 PolarHBondContact O-N 3.47Å; T98-S102 WeakPolarHBondContact O-CB 3.45Å; T98-S102 PolarHBondContact O-N 3.31Å; T98-S102 PolarHBondContact O-OG 3.24Å; T98-Y272 HydrophobicContact CG2-CD1 3.87Å; T98-Y272 HydrophobicContact CG2-CE1 4.2Å; T98-Y272 HydrophobicContact CG2-CG 4.08Å |
| 99 | Q | 86.4 | Confident | 86 | Confident | 17 Ų | 17 | 26.2 Ų | 26.2 | 8% | 0.079 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.1 | -46.6 | 177.4 | -75.4 | 174 | -9.6 | 0 | 0 | 112.5 | C95 L96 F97 I101 S102 F103 L164 P175 | C95-Q99 WeakPolarHBondContact O-CB 3.34Å; C95-Q99 VanDerWaalsContact O-CG 3.29Å; C95-Q99 WeakPolarHBondContact O-CG 3.46Å; C95-Q99 PolarHBondContact O-N 3.42Å; L96-Q99 PolarHBondContact O-N 3.49Å; F97-Q99 VanDerWaalsContact C-N 3.31Å; F97-Q99 PolarHBondContact O-N 3.49Å; Q99-I101 VanDerWaalsContact C-N 3.25Å; Q99-I101 PolarHBondContact O-N 3.43Å; Q99-S102 WeakPolarHBondContact O-CB 3.11Å; Q99-S102 PolarHBondContact O-N 2.86Å; Q99-F103 WeakPolarHBondContact O-CD2 3.48Å; Q99-F103 PolarHBondContact O-N 3.17Å; Q99-L164 HydrophobicContact CB-CD2 3.64Å; Q99-P175 VanDerWaalsContact NE2-CD 3.28Å; Q99-P175 VanDerWaalsContact NE2-CG 3.26Å; Q99-P175 PolarHBondContact NE2-O 2.94Å |
| 100 | I | 88.3 | Confident | 86.3 | Confident | 30 Ų | 30 | 30.1 Ų | 30.1 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.7 | -46.7 | 176.2 | -68.6 | 167.8 | 0 | 0 | 0 | 109.6 | L96 F97 F103 T104 L151 L155 L164 | L96-I100 HydrophobicContact CD1-CD1 4.21Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.69Å; F97-I100 PolarHBondContact O-N 2.96Å; I100-F103 PolarHBondContact O-N 2.9Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 3.37Å; I100-L151 HydrophobicContact CG2-CD2 4.18Å; I100-L155 HydrophobicContact CD1-CD2 4.3Å; I100-L155 HydrophobicContact CG1-CD2 4.5Å; I100-L164 HydrophobicContact CG1-CD1 4.25Å; I100-L164 HydrophobicContact CG1-CD2 3.89Å |
| 101 | I | 89.7 | Confident | 86.7 | Confident | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.108 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.7 | -70.4 | -65.7 | 0 | 0 | 0 | 111.8 | I65 L69 F97 Q99 F103 T104 Y105 | I65-I101 HydrophobicContact CG2-CD1 3.73Å; L69-I101 HydrophobicContact CD1-CG1 4.16Å; L69-I101 HydrophobicContact CD2-CB 4.27Å; L69-I101 HydrophobicContact CD2-CG1 4.12Å; L69-I101 HydrophobicContact CD2-CG2 4.07Å; F97-I101 WeakPolarHBondContact O-CB 3.39Å; F97-I101 WeakPolarHBondContact O-CG1 3.28Å; F97-I101 PolarHBondContact O-N 3.19Å; Q99-I101 VanDerWaalsContact C-N 3.25Å; Q99-I101 PolarHBondContact O-N 3.43Å; I101-F103 PolarHBondContact O-N 2.68Å; I101-T104 PolarHBondContact O-N 3.18Å; I101-Y105 HydrophobicContact CD1-CE1 4.46Å; I101-Y105 HydrophobicContact CG2-CD1 4.23Å; I101-Y105 HydrophobicContact CG2-CD2 3.73Å; I101-Y105 HydrophobicContact CG2-CE1 3.79Å; I101-Y105 HydrophobicContact CG2-CE2 3.22Å; I101-Y105 HydrophobicContact CG2-CG 4.2Å; I101-Y105 WeakPolarHBondContact O-CB 3.19Å; I101-Y105 PolarHBondContact O-N 2.99Å |
| 102 | S | 87.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 176.9 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | T98 Q99 G106 A271 Y272 | T98-S102 WeakPolarHBondContact O-CB 3.45Å; T98-S102 PolarHBondContact O-N 3.31Å; T98-S102 PolarHBondContact O-OG 3.24Å; Q99-S102 WeakPolarHBondContact O-CB 3.11Å; Q99-S102 PolarHBondContact O-N 2.86Å; S102-G106 PolarHBondContact O-N 2.9Å; S102-A271 VanDerWaalsContact O-CB 3.26Å; S102-A271 WeakPolarHBondContact O-CB 2.83Å; S102-Y272 WeakPolarHBondContact OG-CB 3.5Å; S102-Y272 WeakPolarHBondContact OG-CD1 3.47Å |
| 103 | F | 87.4 | Confident | 88 | Confident | 20 Ų | 20 | 23.4 Ų | 23.4 | 9% | 0.088 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.7 | -46.6 | 176.1 | -76.5 | -67.4 | 0 | 0 | 0 | 111 | Q99 I100 I101 Y105 G106 F107 V154 I160 S163 L164 Y177 | Q99-F103 WeakPolarHBondContact O-CD2 3.48Å; Q99-F103 PolarHBondContact O-N 3.17Å; I100-F103 PolarHBondContact O-N 2.9Å; I101-F103 PolarHBondContact O-N 2.68Å; F103-Y105 VanDerWaalsContact C-N 3.33Å; F103-Y105 PolarHBondContact O-N 3.36Å; F103-G106 PolarHBondContact O-N 3.27Å; F103-G106 VanDerWaalsContact O-N 3.16Å; F103-F107 HydrophobicContact CD1-CE2 4.41Å; F103-F107 WeakPolarHBondContact O-CD2 3.08Å; F103-F107 PolarHBondContact O-N 3.03Å; F103-F107 VanDerWaalsContact O-N 3.14Å; F103-V154 HydrophobicContact CB-CG1 3.76Å; F103-V154 HydrophobicContact CB-CG2 4.02Å; F103-I160 HydrophobicContact CD1-CG2 4.14Å; F103-I160 HydrophobicContact CD2-CG2 3.86Å; F103-I160 HydrophobicContact CE1-CG2 4.27Å; F103-I160 HydrophobicContact CE2-CG2 4.03Å; F103-I160 HydrophobicContact CG-CG2 3.94Å; F103-I160 HydrophobicContact CZ-CG2 4.23Å; F103-S163 WeakPolarHBondContact CE2-OG 3.31Å; F103-S163 VanDerWaalsContact CZ-OG 3.23Å; F103-S163 WeakPolarHBondContact CZ-OG 3.14Å; F103-L164 HydrophobicContact CD2-CD2 4.26Å; F103-L164 HydrophobicContact CE2-CD2 4.22Å; F103-Y177 AromaticContact CD1-CD1 3.86Å; F103-Y177 HydrophobicContact CD1-CD1 3.86Å; F103-Y177 AromaticContact CD1-CD2 3.89Å; F103-Y177 HydrophobicContact CD1-CD2 3.89Å; F103-Y177 AromaticContact CD1-CE1 3.82Å; F103-Y177 HydrophobicContact CD1-CE1 3.82Å; F103-Y177 AromaticContact CD1-CE2 3.84Å; F103-Y177 HydrophobicContact CD1-CE2 3.84Å; F103-Y177 AromaticContact CD1-CG 3.9Å; F103-Y177 HydrophobicContact CD1-CG 3.9Å; F103-Y177 AromaticContact CD1-CZ 3.8Å; F103-Y177 HydrophobicContact CE1-CD1 4.11Å; F103-Y177 AromaticContact CE1-CD2 3.27Å; F103-Y177 HydrophobicContact CE1-CD2 3.27Å; F103-Y177 HydrophobicContact CE1-CE1 4.18Å; F103-Y177 AromaticContact CE1-CE2 3.35Å; F103-Y177 HydrophobicContact CE1-CE2 3.35Å; F103-Y177 AromaticContact CE1-CG 3.67Å; F103-Y177 HydrophobicContact CE1-CG 3.67Å; F103-Y177 AromaticContact CE1-CZ 3.82Å; F103-Y177 HydrophobicContact CG-CD1 4.42Å; F103-Y177 AromaticContact CZ-CD2 3.78Å; F103-Y177 HydrophobicContact CZ-CD2 3.78Å; F103-Y177 HydrophobicContact CZ-CE2 4.28Å; F103-Y177 HydrophobicContact CZ-CG 4.1Å |
| 104 | T | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.6 | -50.5 | 179.6 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | I100 I101 G106 F107 L108 W147 V150 L151 | I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 PolarHBondContact O-N 3.17Å; I100-T104 PolarHBondContact O-OG1 3.37Å; I101-T104 PolarHBondContact O-N 3.18Å; T104-G106 PolarHBondContact O-N 3.49Å; T104-F107 PolarHBondContact O-N 3.35Å; T104-L108 VanDerWaalsContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 PolarHBondContact O-N 3.05Å; T104-W147 HydrophobicContact CG2-CE3 3.96Å; T104-W147 HydrophobicContact CG2-CZ3 3.67Å; T104-V150 HydrophobicContact CG2-CG1 3.93Å; T104-L151 HydrophobicContact CG2-CD2 4.05Å; T104-L151 HydrophobicContact CG2-CG 4.29Å; T104-L151 WeakPolarHBondContact OG1-CD2 3.42Å |
| 105 | Y | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 179.7 | -69.2 | -1.6 | 0 | 0 | 0 | 112.8 | L62 D66 I101 F103 F107 L108 H109 W147 M275 | L62-Y105 HydrophobicContact CD1-CD1 4.36Å; L62-Y105 HydrophobicContact CD1-CE1 3.72Å; L62-Y105 HydrophobicContact CD1-CE2 4.42Å; D66-Y105 PolarHBondContact OD1-OH 2.89Å; I101-Y105 HydrophobicContact CD1-CE1 4.46Å; I101-Y105 HydrophobicContact CG2-CD1 4.23Å; I101-Y105 HydrophobicContact CG2-CD2 3.73Å; I101-Y105 HydrophobicContact CG2-CE1 3.79Å; I101-Y105 HydrophobicContact CG2-CE2 3.22Å; I101-Y105 HydrophobicContact CG2-CG 4.2Å; I101-Y105 WeakPolarHBondContact O-CB 3.19Å; I101-Y105 PolarHBondContact O-N 2.99Å; F103-Y105 VanDerWaalsContact C-N 3.33Å; F103-Y105 PolarHBondContact O-N 3.36Å; Y105-F107 VanDerWaalsContact C-N 3.31Å; Y105-F107 PolarHBondContact O-N 3.42Å; Y105-L108 HydrophobicContact CD1-CD2 4.33Å; Y105-L108 PolarHBondContact O-N 2.91Å; Y105-H109 PolarHBondContact O-CD2 2.89Å; Y105-H109 PolarHBondContact O-NE2 3.31Å; Y105-W147 HydrophobicContact CD1-CH2 4.16Å; Y105-W147 HydrophobicContact CD1-CZ3 4.32Å; Y105-W147 AromaticContact CE1-CH2 3.54Å; Y105-W147 HydrophobicContact CE1-CH2 3.54Å; Y105-W147 AromaticContact CE1-CZ3 3.86Å; Y105-W147 HydrophobicContact CE1-CZ3 3.86Å; Y105-M275 HydrophobicContact CD1-SD 4.32Å; Y105-M275 HydrophobicContact CD2-CB 4.15Å; Y105-M275 HydrophobicContact CG-CB 3.97Å; Y105-M275 HydrophobicContact CG-SD 4.38Å |
| 106 | G | 86.8 | Confident | 89.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.2 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S102 F103 T104 H109 Q181 | S102-G106 PolarHBondContact O-N 2.9Å; F103-G106 PolarHBondContact O-N 3.27Å; F103-G106 VanDerWaalsContact O-N 3.16Å; T104-G106 PolarHBondContact O-N 3.49Å; G106-H109 PolarHBondContact O-CD2 3.42Å; G106-Q181 VanDerWaalsContact C-OE1 3.25Å; G106-Q181 PolarHBondContact O-OE1 3.32Å |
| 107 | F | 88.8 | Confident | 89.4 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 15% | 0.154 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -79.8 | -25.9 | -179.7 | -68.8 | -70.7 | 0 | 0 | 0 | 114.1 | F103 T104 Y105 H109 P111 V150 Y153 V154 I160 Q181 | F103-F107 HydrophobicContact CD1-CE2 4.41Å; F103-F107 WeakPolarHBondContact O-CD2 3.08Å; F103-F107 PolarHBondContact O-N 3.03Å; F103-F107 VanDerWaalsContact O-N 3.14Å; T104-F107 PolarHBondContact O-N 3.35Å; Y105-F107 VanDerWaalsContact C-N 3.31Å; Y105-F107 PolarHBondContact O-N 3.42Å; F107-H109 PolarHBondContact O-N 3.1Å; F107-P111 WeakPolarHBondContact O-CD 3.35Å; F107-V150 HydrophobicContact CB-CG1 3.87Å; F107-Y153 AromaticContact CD1-CE1 3.98Å; F107-Y153 HydrophobicContact CD1-CE1 3.98Å; F107-Y153 HydrophobicContact CD2-CD1 4.34Å; F107-Y153 HydrophobicContact CD2-CE1 4.17Å; F107-Y153 AromaticContact CE1-CE1 3.72Å; F107-Y153 HydrophobicContact CE1-CE1 3.72Å; F107-Y153 HydrophobicContact CE2-CD1 4.49Å; F107-Y153 AromaticContact CE2-CE1 3.96Å; F107-Y153 HydrophobicContact CE2-CE1 3.96Å; F107-Y153 HydrophobicContact CG-CD1 4.41Å; F107-Y153 HydrophobicContact CG-CE1 4.21Å; F107-Y153 AromaticContact CZ-CE1 3.74Å; F107-Y153 HydrophobicContact CZ-CE1 3.74Å; F107-V154 HydrophobicContact CD2-CG2 3.91Å; F107-V154 HydrophobicContact CE2-CG2 4.35Å; F107-I160 HydrophobicContact CE2-CD1 3.73Å; F107-I160 HydrophobicContact CZ-CD1 4.02Å; F107-Q181 VanDerWaalsContact CD1-NE2 3.26Å |
| 108 | L | 91.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.9 | -22.7 | -173.1 | -148.5 | 59.7 | 0 | 0 | 0 | 113 | F58 T104 Y105 Y110 P111 V112 I146 W147 V150 M275 | F58-L108 HydrophobicContact CE2-CD2 3.97Å; F58-L108 HydrophobicContact CE2-CG 4.14Å; F58-L108 HydrophobicContact CZ-CD2 3.45Å; F58-L108 VanDerWaalsContact CZ-CD2 3.45Å; F58-L108 HydrophobicContact CZ-CG 3.75Å; T104-L108 VanDerWaalsContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CB 3.28Å; T104-L108 PolarHBondContact O-N 3.05Å; Y105-L108 HydrophobicContact CD1-CD2 4.33Å; Y105-L108 PolarHBondContact O-N 2.91Å; L108-Y110 PolarHBondContact O-N 3.33Å; L108-P111 VanDerWaalsContact O-CD 3.3Å; L108-P111 WeakPolarHBondContact O-CD 3.49Å; L108-P111 WeakPolarHBondContact O-CG 3.48Å; L108-V112 HydrophobicContact CG-CG2 4.01Å; L108-V112 VanDerWaalsContact O-CB 3.3Å; L108-V112 WeakPolarHBondContact O-CB 3.36Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.01Å; L108-I146 HydrophobicContact CD1-CG2 3.56Å; L108-W147 HydrophobicContact CD2-CD2 4.41Å; L108-W147 HydrophobicContact CD2-CE3 4.11Å; L108-W147 HydrophobicContact CD2-CH2 3.38Å; L108-W147 HydrophobicContact CD2-CZ2 3.75Å; L108-W147 HydrophobicContact CD2-CZ3 3.6Å; L108-V150 HydrophobicContact CD1-CB 4.06Å; L108-V150 HydrophobicContact CD1-CG1 4.28Å; L108-V150 HydrophobicContact CD1-CG2 3.73Å; L108-M275 HydrophobicContact CB-CE 3.74Å; L108-M275 HydrophobicContact CB-SD 3.66Å; L108-M275 HydrophobicContact CD2-CE 4.02Å; L108-M275 HydrophobicContact CD2-SD 3.67Å; L108-M275 HydrophobicContact CG-CE 3.88Å; L108-M275 HydrophobicContact CG-SD 4.02Å |
| 109 | H | 88.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.2 | -45.4 | 179.2 | -70.5 | -68.8 | 0 | 0 | 0 | 113.1 | Y105 G106 F107 F113 S182 L185 W279 | Y105-H109 PolarHBondContact O-CD2 2.89Å; Y105-H109 PolarHBondContact O-NE2 3.31Å; G106-H109 PolarHBondContact O-CD2 3.42Å; F107-H109 PolarHBondContact O-N 3.1Å; H109-F113 WeakPolarHBondContact O-CB 3.46Å; H109-F113 PolarHBondContact O-N 3.31Å; H109-S182 PolarHBondContact CD2-OG 2.88Å; H109-S182 PolarHBondContact NE2-OG 3.22Å; H109-S182 VanDerWaalsContact NE2-OG 3.15Å; H109-L185 HydrophobicContact CB-CD2 3.88Å; H109-W279 HydrophobicContact CB-CH2 4.34Å; H109-W279 AromaticContact CE1-CE3 3.92Å; H109-W279 AromaticContact CE1-CH2 3.71Å; H109-W279 AromaticContact CE1-CZ2 3.85Å; H109-W279 AromaticContact CE1-CZ3 3.7Å; H109-W279 AromaticContact CG-CH2 3.96Å; H109-W279 AromaticContact ND1-CE3 3.85Å; H109-W279 AromaticContact ND1-CH2 2.92Å; H109-W279 WeakPolarHBondContact ND1-CH2 3.49Å; H109-W279 AromaticContact ND1-CZ2 3.39Å; H109-W279 WeakPolarHBondContact ND1-CZ2 3.42Å; H109-W279 AromaticContact ND1-CZ3 3.15Å; H109-W279 WeakPolarHBondContact ND1-CZ3 3.06Å |
| 110 | Y | 88.1 | Confident | 89.5 | Confident | 112 Ų | 112 | 29.3 Ų | 29.3 | 44% | 0.439 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -68 | -55 | -178.5 | -67.9 | -56.6 | 0 | 0 | 0 | 114.9 | L108 V112 F113 L114 Q181 | L108-Y110 PolarHBondContact O-N 3.33Å; Y110-V112 VanDerWaalsContact C-N 3.29Å; Y110-V112 PolarHBondContact O-N 3.29Å; Y110-F113 PolarHBondContact O-N 2.99Å; Y110-L114 WeakPolarHBondContact O-CB 3.31Å; Y110-L114 PolarHBondContact O-N 2.92Å; Y110-Q181 HydrophobicContact CE2-CB 3.74Å; Y110-Q181 HydrophobicContact CE2-CG 3.72Å |
| 111 | P | 92.1 | Very high | 89.3 | Confident | 36 Ų | 36 | 30.9 Ų | 30.9 | 23% | 0.234 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -36.7 | -178.6 | 24.4 | -33.5 | 0 | 0 | 0 | 111.8 | F107 L108 L114 I115 I146 V150 | F107-P111 WeakPolarHBondContact O-CD 3.35Å; L108-P111 VanDerWaalsContact O-CD 3.3Å; L108-P111 WeakPolarHBondContact O-CD 3.49Å; L108-P111 WeakPolarHBondContact O-CG 3.48Å; P111-L114 PolarHBondContact O-N 3.23Å; P111-I115 WeakPolarHBondContact O-CB 3.47Å; P111-I115 VanDerWaalsContact O-CG1 3.27Å; P111-I115 WeakPolarHBondContact O-CG1 3.14Å; P111-I115 PolarHBondContact O-N 3.26Å; P111-I146 HydrophobicContact CB-CG2 4.33Å; P111-I146 HydrophobicContact CG-CG2 4.25Å; P111-V150 HydrophobicContact CG-CG2 4.19Å |
| 112 | V | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 111 | F54 M55 F58 L108 Y110 L114 I115 A116 M275 L280 | F54-V112 HydrophobicContact CE1-CG1 4.14Å; M55-V112 HydrophobicContact CE-CG1 4.43Å; M55-V112 HydrophobicContact SD-CG1 3.83Å; F58-V112 HydrophobicContact CD1-CG1 3.8Å; F58-V112 HydrophobicContact CD1-CG2 4.11Å; F58-V112 HydrophobicContact CD2-CG2 3.87Å; F58-V112 HydrophobicContact CE1-CB 4.44Å; F58-V112 HydrophobicContact CE1-CG1 3.93Å; F58-V112 HydrophobicContact CE1-CG2 3.7Å; F58-V112 HydrophobicContact CE2-CG2 3.42Å; F58-V112 VanDerWaalsContact CE2-CG2 3.42Å; F58-V112 HydrophobicContact CG-CG1 4.2Å; F58-V112 HydrophobicContact CG-CG2 4.21Å; F58-V112 HydrophobicContact CZ-CB 4.49Å; F58-V112 HydrophobicContact CZ-CG1 4.42Å; F58-V112 HydrophobicContact CZ-CG2 3.34Å; L108-V112 HydrophobicContact CG-CG2 4.01Å; L108-V112 VanDerWaalsContact O-CB 3.3Å; L108-V112 WeakPolarHBondContact O-CB 3.36Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.01Å; Y110-V112 VanDerWaalsContact C-N 3.29Å; Y110-V112 PolarHBondContact O-N 3.29Å; V112-L114 PolarHBondContact O-N 2.85Å; V112-I115 PolarHBondContact O-N 3.48Å; V112-A116 WeakPolarHBondContact O-CB 3.35Å; V112-A116 PolarHBondContact O-N 3.38Å; V112-M275 HydrophobicContact CB-CE 4.46Å; V112-M275 HydrophobicContact CG2-CE 4.13Å; V112-L280 HydrophobicContact CG1-CD2 4.03Å |
| 113 | F | 90.1 | Very high | 88.4 | Confident | 62 Ų | 62 | 35.2 Ų | 35.2 | 27% | 0.272 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 176.8 | -179.1 | -93.9 | 0 | 0 | 0 | 111.9 | H109 Y110 A116 C117 V283 L287 | H109-F113 WeakPolarHBondContact O-CB 3.46Å; H109-F113 PolarHBondContact O-N 3.31Å; Y110-F113 PolarHBondContact O-N 2.99Å; F113-A116 PolarHBondContact O-N 3.46Å; F113-C117 WeakPolarHBondContact O-CB 3.44Å; F113-C117 PolarHBondContact O-N 2.91Å; F113-V283 HydrophobicContact CD2-CG1 3.72Å; F113-V283 HydrophobicContact CE2-CG1 4.13Å; F113-L287 HydrophobicContact CD2-CD1 4.32Å; F113-L287 HydrophobicContact CD2-CD2 4.37Å; F113-L287 HydrophobicContact CE2-CD1 4.31Å; F113-L287 HydrophobicContact CE2-CD2 3.61Å; F113-L287 HydrophobicContact CE2-CG 4.11Å; F113-L287 HydrophobicContact CZ-CD2 3.78Å |
| 114 | L | 91.4 | Very high | 87.7 | Confident | 107 Ų | 107 | 35 Ų | 35 | 56% | 0.56 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -61.2 | -50 | 179.3 | -177.1 | 70.5 | 0 | 0 | 0 | 111.6 | Y110 P111 V112 C117 I118 | Y110-L114 WeakPolarHBondContact O-CB 3.31Å; Y110-L114 PolarHBondContact O-N 2.92Å; P111-L114 PolarHBondContact O-N 3.23Å; V112-L114 PolarHBondContact O-N 2.85Å; L114-C117 WeakPolarHBondContact O-CB 3.3Å; L114-C117 PolarHBondContact O-N 2.81Å; L114-I118 HydrophobicContact CD1-CD1 4.5Å; L114-I118 HydrophobicContact CG-CD1 4.11Å; L114-I118 WeakPolarHBondContact O-CG1 3.1Å; L114-I118 PolarHBondContact O-N 3.34Å |
| 115 | I | 92.6 | Very high | 86.5 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 23% | 0.226 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68 | -38.2 | -177.9 | -68.6 | 168.6 | 0 | 0 | 0 | 110.9 | F54 P111 V112 C117 I118 D119 T142 I146 | F54-I115 HydrophobicContact CD1-CB 4.42Å; F54-I115 HydrophobicContact CD1-CG2 3.82Å; F54-I115 HydrophobicContact CD2-CG2 3.83Å; F54-I115 HydrophobicContact CE1-CB 3.98Å; F54-I115 HydrophobicContact CE1-CG2 3.72Å; F54-I115 HydrophobicContact CE2-CG2 3.74Å; F54-I115 HydrophobicContact CG-CG2 3.87Å; F54-I115 HydrophobicContact CZ-CB 4.08Å; F54-I115 HydrophobicContact CZ-CG2 3.69Å; P111-I115 WeakPolarHBondContact O-CB 3.47Å; P111-I115 VanDerWaalsContact O-CG1 3.27Å; P111-I115 WeakPolarHBondContact O-CG1 3.14Å; P111-I115 PolarHBondContact O-N 3.26Å; V112-I115 PolarHBondContact O-N 3.48Å; I115-C117 VanDerWaalsContact C-N 3.34Å; I115-C117 PolarHBondContact O-N 2.95Å; I115-I118 PolarHBondContact O-N 3.42Å; I115-D119 WeakPolarHBondContact O-CB 3.32Å; I115-D119 PolarHBondContact O-N 3.45Å; I115-T142 HydrophobicContact CD1-CG2 4.08Å; I115-T142 HydrophobicContact CG2-CG2 4.02Å; I115-I146 HydrophobicContact CD1-CD1 3.35Å; I115-I146 HydrophobicContact CD1-CG1 3.64Å |
| 116 | A | 90.9 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F54 M55 V112 F113 D119 Y120 L287 | F54-A116 HydrophobicContact CD1-CB 4.12Å; F54-A116 HydrophobicContact CE1-CB 4.43Å; M55-A116 HydrophobicContact CE-CB 4.1Å; M55-A116 HydrophobicContact CG-CB 3.8Å; M55-A116 HydrophobicContact SD-CB 3.86Å; V112-A116 WeakPolarHBondContact O-CB 3.35Å; V112-A116 PolarHBondContact O-N 3.38Å; F113-A116 PolarHBondContact O-N 3.46Å; A116-D119 PolarHBondContact O-N 3.42Å; A116-Y120 WeakPolarHBondContact O-CD2 3.36Å; A116-Y120 PolarHBondContact O-N 3.2Å; A116-L287 HydrophobicContact CB-CD1 3.76Å |
| 117 | C | 88.9 | Confident | 84.1 | Confident | 46 Ų | 46 | 49.1 Ų | 49.1 | 31% | 0.311 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | F113 L114 I115 Y120 C121 L287 | F113-C117 WeakPolarHBondContact O-CB 3.44Å; F113-C117 PolarHBondContact O-N 2.91Å; L114-C117 WeakPolarHBondContact O-CB 3.3Å; L114-C117 PolarHBondContact O-N 2.81Å; I115-C117 VanDerWaalsContact C-N 3.34Å; I115-C117 PolarHBondContact O-N 2.95Å; C117-Y120 PolarHBondContact O-N 3.2Å; C117-C121 WeakPolarHBondContact O-CB 3.37Å; C117-C121 PolarHBondContact O-N 2.92Å; C117-C121 PolarHBondContact O-SG 2.89Å; C117-L287 HydrophobicContact CB-CD2 4.45Å |
| 118 | I | 89.6 | Confident | 82.8 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.8 | -67.1 | 166.5 | 0 | 0 | 0 | 110.5 | L114 I115 Y120 C121 L122 | L114-I118 HydrophobicContact CD1-CD1 4.5Å; L114-I118 HydrophobicContact CG-CD1 4.11Å; L114-I118 WeakPolarHBondContact O-CG1 3.1Å; L114-I118 PolarHBondContact O-N 3.34Å; I115-I118 PolarHBondContact O-N 3.42Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 3.2Å; I118-C121 PolarHBondContact O-N 2.5Å; I118-L122 HydrophobicContact CG2-CD1 3.7Å; I118-L122 HydrophobicContact CG2-CG 4.16Å; I118-L122 WeakPolarHBondContact O-CB 3.31Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.43Å; I118-L122 PolarHBondContact O-N 3.36Å |
| 119 | D | 89.3 | Confident | 81.4 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.064 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.7 | -47 | 178.6 | -173.5 | 43.9 | 0 | 0 | 0 | 111.2 | F54 I115 A116 L122 N123 Y139 | F54-D119 HydrophobicContact CB-CB 4.12Å; F54-D119 WeakPolarHBondContact CB-OD2 3.41Å; F54-D119 PolarHBondContact N-OD2 3.37Å; I115-D119 WeakPolarHBondContact O-CB 3.32Å; I115-D119 PolarHBondContact O-N 3.45Å; A116-D119 PolarHBondContact O-N 3.42Å; D119-L122 PolarHBondContact O-N 3.42Å; D119-N123 VanDerWaalsContact O-CB 3.31Å; D119-N123 WeakPolarHBondContact O-CB 3.46Å; D119-N123 VanDerWaalsContact O-CG 3.31Å; D119-N123 PolarHBondContact O-N 3Å; D119-N123 PolarHBondContact O-ND2 3.01Å; D119-N123 PolarHBondContact OD1-ND2 3.01Å; D119-Y139 VanDerWaalsContact OD1-CE1 3.3Å; D119-Y139 WeakPolarHBondContact OD1-CE1 3.45Å; D119-Y139 VanDerWaalsContact OD1-CZ 3.27Å; D119-Y139 PolarHBondContact OD1-OH 2.97Å; D119-Y139 PolarHBondContact OD2-OH 3.04Å |
| 120 | Y | 85.3 | Confident | 80.5 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 176.4 | -79.6 | -57.9 | 0 | 0 | 0 | 113.2 | N53 A116 C117 I118 L122 F124 N284 L287 I288 P307 | N53-Y120 WeakPolarHBondContact ND2-CE1 3.4Å; N53-Y120 PolarHBondContact ND2-OH 2.7Å; A116-Y120 WeakPolarHBondContact O-CD2 3.36Å; A116-Y120 PolarHBondContact O-N 3.2Å; C117-Y120 PolarHBondContact O-N 3.2Å; I118-Y120 VanDerWaalsContact C-N 3.33Å; I118-Y120 PolarHBondContact O-N 3.2Å; Y120-L122 VanDerWaalsContact C-N 3.35Å; Y120-L122 PolarHBondContact O-N 3.12Å; Y120-F124 WeakPolarHBondContact O-CB 3.45Å; Y120-F124 PolarHBondContact O-N 2.96Å; Y120-N284 VanDerWaalsContact OH-CG 3.23Å; Y120-N284 PolarHBondContact OH-ND2 3.44Å; Y120-N284 PolarHBondContact OH-OD1 2.93Å; Y120-L287 HydrophobicContact CD2-CB 3.99Å; Y120-L287 HydrophobicContact CD2-CD1 4.31Å; Y120-L287 HydrophobicContact CE2-CB 4.17Å; Y120-L287 HydrophobicContact CE2-CD1 4.42Å; Y120-I288 HydrophobicContact CD1-CG1 4.25Å; Y120-I288 HydrophobicContact CE1-CD1 4.1Å; Y120-I288 HydrophobicContact CE1-CG1 3.6Å; Y120-I288 HydrophobicContact CE2-CG1 4.28Å; Y120-P307 HydrophobicContact CD1-CB 4.11Å; Y120-P307 HydrophobicContact CD1-CG 4.47Å; Y120-P307 HydrophobicContact CE1-CB 3.86Å |
| 121 | C | 82.3 | Confident | 80 | Confident | 62 Ų | 62 | 62.9 Ų | 62.9 | 42% | 0.419 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 177.5 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | C117 I118 S125 | C117-C121 WeakPolarHBondContact O-CB 3.37Å; C117-C121 PolarHBondContact O-N 2.92Å; C117-C121 PolarHBondContact O-SG 2.89Å; I118-C121 PolarHBondContact O-N 2.5Å; C121-S125 VanDerWaalsContact O-CB 3.3Å; C121-S125 WeakPolarHBondContact O-CB 3.33Å; C121-S125 PolarHBondContact O-N 2.53Å; C121-S125 PolarHBondContact O-OG 3.2Å |
| 122 | L | 81.8 | Confident | 79.2 | Confident | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.3 | -46.7 | -179.8 | -70.4 | 176.5 | 0 | 0 | 0 | 112.1 | I118 D119 Y120 F124 S125 K126 T127 T128 | I118-L122 HydrophobicContact CG2-CD1 3.7Å; I118-L122 HydrophobicContact CG2-CG 4.16Å; I118-L122 WeakPolarHBondContact O-CB 3.31Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.43Å; I118-L122 PolarHBondContact O-N 3.36Å; D119-L122 PolarHBondContact O-N 3.42Å; Y120-L122 VanDerWaalsContact C-N 3.35Å; Y120-L122 PolarHBondContact O-N 3.12Å; L122-F124 VanDerWaalsContact C-N 3.34Å; L122-F124 PolarHBondContact O-N 3.44Å; L122-S125 PolarHBondContact O-N 2.93Å; L122-K126 PolarHBondContact O-N 3.2Å; L122-T127 PolarHBondContact O-N 3.48Å; L122-T128 HydrophobicContact CB-CG2 4.13Å; L122-T128 HydrophobicContact CD1-CG2 4.33Å |
| 123 | N | 78.3 | Confident | 78.6 | Confident | 47 Ų | 47 | 74.9 Ų | 74.9 | 25% | 0.251 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 177.8 | -74.2 | -32.3 | 0 | 0 | 0 | 111.3 | D119 S125 K126 Y139 | D119-N123 VanDerWaalsContact O-CB 3.31Å; D119-N123 WeakPolarHBondContact O-CB 3.46Å; D119-N123 VanDerWaalsContact O-CG 3.31Å; D119-N123 PolarHBondContact O-N 3Å; D119-N123 PolarHBondContact O-ND2 3.01Å; D119-N123 PolarHBondContact OD1-ND2 3.01Å; N123-S125 PolarHBondContact O-N 3.41Å; N123-K126 PolarHBondContact O-N 2.96Å; N123-Y139 PolarHBondContact ND2-OH 3.46Å |
| 124 | F | 71.1 | Confident | 78.3 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 8% | 0.075 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 176.5 | -172 | -88.7 | 0 | 0 | 0 | 112.3 | Y120 L122 K126 V291 N295 K298 L299 | Y120-F124 WeakPolarHBondContact O-CB 3.45Å; Y120-F124 PolarHBondContact O-N 2.96Å; L122-F124 VanDerWaalsContact C-N 3.34Å; L122-F124 PolarHBondContact O-N 3.44Å; F124-K126 PolarHBondContact O-N 3.4Å; F124-V291 HydrophobicContact CB-CG1 4Å; F124-V291 HydrophobicContact CD2-CG1 3.72Å; F124-V291 HydrophobicContact CE2-CG1 4.43Å; F124-V291 HydrophobicContact CG-CG1 3.82Å; F124-N295 HydrophobicContact CD1-CB 4.2Å; F124-N295 HydrophobicContact CE1-CB 3.28Å; F124-N295 VanDerWaalsContact CE1-OD1 3.28Å; F124-N295 WeakPolarHBondContact CE1-OD1 3.47Å; F124-N295 HydrophobicContact CE2-CB 4.07Å; F124-N295 HydrophobicContact CZ-CB 3.2Å; F124-K298 HydrophobicContact CE1-CD 4.28Å; F124-L299 HydrophobicContact CE2-CD2 3.9Å; F124-L299 HydrophobicContact CZ-CD2 4.02Å |
| 125 | S | 67.3 | Low | 77.9 | Confident | 70 Ų | 70 | 71.6 Ų | 71.6 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4 | 179.7 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | C121 L122 N123 T127 | C121-S125 VanDerWaalsContact O-CB 3.3Å; C121-S125 WeakPolarHBondContact O-CB 3.33Å; C121-S125 PolarHBondContact O-N 2.53Å; C121-S125 PolarHBondContact O-OG 3.2Å; L122-S125 PolarHBondContact O-N 2.93Å; N123-S125 PolarHBondContact O-N 3.41Å; S125-T127 WeakPolarHBondContact CB-OG1 3.18Å; S125-T127 PolarHBondContact O-N 2.9Å; S125-T127 VanDerWaalsContact O-N 3.1Å |
| 126 | K | 66.5 | Low | 77.6 | Confident | 128 Ų | 128 | 74.4 Ų | 74.4 | 56% | 0.557 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 22.3 | -171.4 | -59.3 | -177.6 | 178.9 | -179.8 | 0 | 113.1 | L122 N123 F124 T128 | L122-K126 PolarHBondContact O-N 3.2Å; N123-K126 PolarHBondContact O-N 2.96Å; F124-K126 PolarHBondContact O-N 3.4Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 3.24Å |
| 127 | T | 59.1 | Low | 77.5 | Confident | 98 Ų | 98 | 79 Ų | 79 | 60% | 0.601 | 41% | 0.413 | S | S | * | . | trans | -69.8 | -28.7 | -175.2 | -52.6 | 0 | 0 | 0 | 0 | 111.2 | L122 S125 K129 | L122-T127 PolarHBondContact O-N 3.48Å; S125-T127 WeakPolarHBondContact CB-OG1 3.18Å; S125-T127 PolarHBondContact O-N 2.9Å; S125-T127 VanDerWaalsContact O-N 3.1Å; T127-K129 PolarHBondContact O-N 3.01Å | ||
| 128 | T | 60.8 | Low | 77.5 | Confident | 66 Ų | 66 | 82.6 Ų | 82.6 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | trans | -94.7 | 94.3 | -177.4 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | L122 K126 L130 | L122-T128 HydrophobicContact CB-CG2 4.13Å; L122-T128 HydrophobicContact CD1-CG2 4.33Å; K126-T128 VanDerWaalsContact C-N 3.26Å; K126-T128 PolarHBondContact O-N 3.24Å; T128-L130 PolarHBondContact O-N 3.35Å | ||
| 129 | K | 63.4 | Low | 77.6 | Confident | 204 Ų | 204 | 79 Ų | 79 | 89% | 0.887 | 41% | 0.405 | S | S | * | . | trans | -87 | 50.4 | 167.8 | -66.8 | -175.4 | -179 | 178.1 | 0 | 111.5 | T127 | T127-K129 PolarHBondContact O-N 3.01Š| ||
| 130 | L | 68.4 | Low | 77.7 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 45% | 0.45 | 43% | 0.425 | S | S | . | . | trans | -86.6 | 142.4 | -179.8 | -148.7 | 72.9 | 0 | 0 | 0 | 110.1 | T128 C134 Q135 | T128-L130 PolarHBondContact O-N 3.35Å; L130-C134 HydrophobicContact CD2-CB 3.98Å; L130-C134 HydrophobicContact CG-CB 3.89Å; L130-Q135 HydrophobicContact CD2-CB 4.21Å | ||
| 131 | S | 78.1 | Confident | 78 | Confident | 81 Ų | 81 | 89.3 Ų | 89.3 | 57% | 0.566 | 45% | 0.449 | S | S | * | . | trans | -61.7 | 142.4 | 171.9 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | K133 C134 Q135 | S131-K133 PolarHBondContact O-N 3.5Å; S131-K133 VanDerWaalsContact O-N 3.12Å; S131-C134 WeakPolarHBondContact O-CA 3.45Å; S131-C134 WeakPolarHBondContact O-CB 3.27Å; S131-C134 PolarHBondContact O-N 3.47Å; S131-Q135 PolarHBondContact O-N 2.95Å | ||
| 132 | F | 74.9 | Confident | 78.6 | Confident | 122 Ų | 122 | 87.3 Ų | 87.3 | 54% | 0.535 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -50.1 | -40.5 | -178 | -177.3 | -103 | 0 | 0 | 0 | 113.6 | Q52 K136 | Q52-F132 HydrophobicContact CB-CE2 4.43Å; Q52-F132 VanDerWaalsContact CD-CZ 3.43Å; Q52-F132 HydrophobicContact CG-CE2 4.34Å; Q52-F132 HydrophobicContact CG-CZ 4.24Å; F132-K136 PolarHBondContact O-N 3.08Å; F132-K136 VanDerWaalsContact O-N 3.08Å |
| 133 | K | 80.9 | Confident | 79.2 | Confident | 168 Ų | 168 | 84.5 Ų | 84.5 | 73% | 0.73 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 177 | -71.3 | -175.4 | 179.4 | 178.8 | 0 | 112.5 | S131 K136 L137 | S131-K133 PolarHBondContact O-N 3.5Å; S131-K133 VanDerWaalsContact O-N 3.12Å; K133-K136 PolarHBondContact O-N 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.42Å; K133-L137 PolarHBondContact O-N 2.77Å; K133-L137 VanDerWaalsContact O-N 3.08Å |
| 134 | C | 82.9 | Confident | 80 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 40% | 0.399 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | -179.2 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | L130 S131 L137 F138 | L130-C134 HydrophobicContact CD2-CB 3.98Å; L130-C134 HydrophobicContact CG-CB 3.89Å; S131-C134 WeakPolarHBondContact O-CA 3.45Å; S131-C134 WeakPolarHBondContact O-CB 3.27Å; S131-C134 PolarHBondContact O-N 3.47Å; C134-L137 PolarHBondContact O-N 2.84Å; C134-F138 WeakPolarHBondContact O-CB 3.28Å; C134-F138 PolarHBondContact O-N 3.46Å |
| 135 | Q | 83.8 | Confident | 81.2 | Confident | 41 Ų | 41 | 89.5 Ų | 89.5 | 19% | 0.192 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 173.3 | -173.7 | 175.4 | 10.7 | 0 | 0 | 112.1 | L130 S131 F138 Y139 | L130-Q135 HydrophobicContact CD2-CB 4.21Å; S131-Q135 PolarHBondContact O-N 2.95Å; Q135-F138 PolarHBondContact O-N 2.91Å; Q135-Y139 HydrophobicContact CG-CD2 4.06Å; Q135-Y139 HydrophobicContact CG-CE2 3.41Å; Q135-Y139 VanDerWaalsContact CG-CE2 3.41Å; Q135-Y139 PolarHBondContact NE2-OH 3.34Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.46Å; Q135-Y139 PolarHBondContact O-N 2.96Å |
| 136 | K | 85.6 | Confident | 82.5 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 44% | 0.443 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 173.1 | 169.6 | 163.6 | -165.5 | -178.9 | 0 | 112.6 | Y57 F132 K133 F138 Y139 F140 | Y57-K136 HydrophobicContact CE1-CD 4.42Å; Y57-K136 HydrophobicContact CE1-CG 3.99Å; Y57-K136 WeakPolarHBondContact OH-CD 3.42Å; Y57-K136 VanDerWaalsContact OH-CE 3.28Å; Y57-K136 WeakPolarHBondContact OH-CE 3.48Å; Y57-K136 WeakPolarHBondContact OH-CG 3.46Å; F132-K136 PolarHBondContact O-N 3.08Å; F132-K136 VanDerWaalsContact O-N 3.08Å; K133-K136 PolarHBondContact O-N 3.31Å; K136-F138 VanDerWaalsContact C-N 3.34Å; K136-Y139 PolarHBondContact O-N 3.22Å; K136-F140 WeakPolarHBondContact O-CB 3.42Å; K136-F140 PolarHBondContact O-N 3.03Å |
| 137 | L | 88.4 | Confident | 83.9 | Confident | 98 Ų | 98 | 81.5 Ų | 81.5 | 51% | 0.513 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.1 | -73.6 | 171.9 | 0 | 0 | 0 | 111.1 | K133 C134 Y139 F140 F141 | K133-L137 WeakPolarHBondContact O-CG 3.42Å; K133-L137 PolarHBondContact O-N 2.77Å; K133-L137 VanDerWaalsContact O-N 3.08Å; C134-L137 PolarHBondContact O-N 2.84Å; L137-Y139 PolarHBondContact O-N 2.93Å; L137-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 PolarHBondContact O-N 3.24Å; L137-F141 HydrophobicContact CB-CD2 4.46Å; L137-F141 HydrophobicContact CB-CE2 4.43Å; L137-F141 WeakPolarHBondContact O-CD2 3.45Å; L137-F141 PolarHBondContact O-N 3.03Å |
| 138 | F | 89.8 | Confident | 85.5 | Confident | 121 Ų | 121 | 81.5 Ų | 81.5 | 53% | 0.531 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.6 | -52.5 | 176.9 | 178.9 | -100.5 | 0 | 0 | 0 | 111.3 | C134 Q135 K136 F140 F141 T142 | C134-F138 WeakPolarHBondContact O-CB 3.28Å; C134-F138 PolarHBondContact O-N 3.46Å; Q135-F138 PolarHBondContact O-N 2.91Å; K136-F138 VanDerWaalsContact C-N 3.34Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 2.92Å; F138-F141 PolarHBondContact O-N 3.43Å; F138-T142 WeakPolarHBondContact O-CB 3.32Å; F138-T142 PolarHBondContact O-N 3.29Å; F138-T142 PolarHBondContact O-OG1 3.42Å |
| 139 | Y | 91.3 | Very high | 87.1 | Confident | 8 Ų | 8 | 81.9 Ų | 81.9 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 177.2 | -65.4 | -36.7 | 0 | 0 | 0 | 112.8 | F54 Y57 D119 N123 Q135 K136 L137 T142 V143 | F54-Y139 HydrophobicContact CB-CD1 3.9Å; F54-Y139 HydrophobicContact CB-CE1 3.91Å; F54-Y139 HydrophobicContact CD2-CD1 4.4Å; Y57-Y139 AromaticContact CD2-CD2 3.85Å; Y57-Y139 HydrophobicContact CD2-CD2 3.85Å; Y57-Y139 HydrophobicContact CD2-CG 4.21Å; Y57-Y139 AromaticContact CE2-CD2 3.87Å; Y57-Y139 HydrophobicContact CE2-CD2 3.87Å; D119-Y139 VanDerWaalsContact OD1-CE1 3.3Å; D119-Y139 WeakPolarHBondContact OD1-CE1 3.45Å; D119-Y139 VanDerWaalsContact OD1-CZ 3.27Å; D119-Y139 PolarHBondContact OD1-OH 2.97Å; D119-Y139 PolarHBondContact OD2-OH 3.04Å; N123-Y139 PolarHBondContact ND2-OH 3.46Å; Q135-Y139 HydrophobicContact CG-CD2 4.06Å; Q135-Y139 HydrophobicContact CG-CE2 3.41Å; Q135-Y139 VanDerWaalsContact CG-CE2 3.41Å; Q135-Y139 PolarHBondContact NE2-OH 3.34Å; Q135-Y139 WeakPolarHBondContact O-CD2 3.46Å; Q135-Y139 PolarHBondContact O-N 2.96Å; K136-Y139 PolarHBondContact O-N 3.22Å; L137-Y139 PolarHBondContact O-N 2.93Å; Y139-T142 PolarHBondContact O-N 2.92Å; Y139-V143 WeakPolarHBondContact O-CB 3.37Å; Y139-V143 VanDerWaalsContact O-CG2 3.28Å; Y139-V143 WeakPolarHBondContact O-CG2 3.09Å; Y139-V143 PolarHBondContact O-N 3.32Å |
| 140 | F | 91 | Very high | 88.5 | Confident | 110 Ų | 110 | 72.9 Ų | 72.9 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 176.2 | 179.2 | -102.9 | 0 | 0 | 0 | 111.9 | K136 L137 F138 V143 I144 | K136-F140 WeakPolarHBondContact O-CB 3.42Å; K136-F140 PolarHBondContact O-N 3.03Å; L137-F140 WeakPolarHBondContact O-CB 3.39Å; L137-F140 PolarHBondContact O-N 3.24Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 2.92Å; F140-V143 PolarHBondContact O-N 3.17Å; F140-I144 HydrophobicContact CD1-CD1 3.8Å; F140-I144 HydrophobicContact CD2-CD1 4.49Å; F140-I144 HydrophobicContact CE1-CD1 3.29Å; F140-I144 HydrophobicContact CE2-CD1 4.06Å; F140-I144 HydrophobicContact CG-CD1 4.39Å; F140-I144 HydrophobicContact CZ-CD1 3.45Å; F140-I144 VanDerWaalsContact CZ-CD1 3.45Å; F140-I144 HydrophobicContact CZ-CG1 4.49Å; F140-I144 WeakPolarHBondContact O-CG1 3.34Å; F140-I144 PolarHBondContact O-N 2.85Å; F140-I144 VanDerWaalsContact O-N 3.08Å |
| 141 | F | 93.3 | Very high | 89.7 | Confident | 120 Ų | 120 | 71.4 Ų | 71.4 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.1 | -78.1 | -66 | 0 | 0 | 0 | 112.1 | L137 F138 V143 I144 L145 | L137-F141 HydrophobicContact CB-CD2 4.46Å; L137-F141 HydrophobicContact CB-CE2 4.43Å; L137-F141 WeakPolarHBondContact O-CD2 3.45Å; L137-F141 PolarHBondContact O-N 3.03Å; F138-F141 PolarHBondContact O-N 3.43Å; F141-V143 VanDerWaalsContact C-N 3.34Å; F141-V143 PolarHBondContact O-N 3.48Å; F141-I144 PolarHBondContact O-N 3.47Å; F141-L145 WeakPolarHBondContact O-CB 3.4Å; F141-L145 VanDerWaalsContact O-CG 3.28Å; F141-L145 WeakPolarHBondContact O-CG 3.4Å; F141-L145 PolarHBondContact O-N 3.41Å |
| 142 | T | 93.7 | Very high | 90.3 | Very high | 21 Ų | 21 | 70.3 Ų | 70.3 | 13% | 0.129 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.6 | -46.2 | 176.7 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F54 I115 F138 Y139 I144 L145 I146 | F54-T142 HydrophobicContact CD2-CG2 4.39Å; F54-T142 HydrophobicContact CE2-CG2 4.01Å; I115-T142 HydrophobicContact CD1-CG2 4.08Å; I115-T142 HydrophobicContact CG2-CG2 4.02Å; F138-T142 WeakPolarHBondContact O-CB 3.32Å; F138-T142 PolarHBondContact O-N 3.29Å; F138-T142 PolarHBondContact O-OG1 3.42Å; Y139-T142 PolarHBondContact O-N 2.92Å; T142-I144 PolarHBondContact O-N 2.86Å; T142-L145 PolarHBondContact O-N 3.4Å; T142-I146 HydrophobicContact CG2-CD1 4.05Å; T142-I146 VanDerWaalsContact O-CG1 3.23Å; T142-I146 WeakPolarHBondContact O-CG1 3.4Å; T142-I146 PolarHBondContact O-N 3.36Å |
| 143 | V | 95.3 | Very high | 91 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.2 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | F54 F58 S61 Y139 F140 F141 L145 I146 W147 | F54-V143 HydrophobicContact CD2-CG2 4.18Å; F54-V143 HydrophobicContact CE2-CG2 3.7Å; F58-V143 HydrophobicContact CB-CG2 4.2Å; F58-V143 HydrophobicContact CD2-CG1 4.35Å; F58-V143 HydrophobicContact CD2-CG2 4.36Å; S61-V143 VanDerWaalsContact OG-CG1 3.3Å; S61-V143 WeakPolarHBondContact OG-CG1 3.35Å; Y139-V143 WeakPolarHBondContact O-CB 3.37Å; Y139-V143 VanDerWaalsContact O-CG2 3.28Å; Y139-V143 WeakPolarHBondContact O-CG2 3.09Å; Y139-V143 PolarHBondContact O-N 3.32Å; F140-V143 PolarHBondContact O-N 3.17Å; F141-V143 VanDerWaalsContact C-N 3.34Å; F141-V143 PolarHBondContact O-N 3.48Å; V143-L145 PolarHBondContact O-N 3.31Å; V143-I146 PolarHBondContact O-N 2.99Å; V143-W147 PolarHBondContact O-N 2.93Å |
| 144 | I | 94.6 | Very high | 91.4 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | 177.1 | -71.2 | 172 | 0 | 0 | 0 | 111.1 | F140 F141 T142 I146 W147 I148 | F140-I144 HydrophobicContact CD1-CD1 3.8Å; F140-I144 HydrophobicContact CD2-CD1 4.49Å; F140-I144 HydrophobicContact CE1-CD1 3.29Å; F140-I144 HydrophobicContact CE2-CD1 4.06Å; F140-I144 HydrophobicContact CG-CD1 4.39Å; F140-I144 HydrophobicContact CZ-CD1 3.45Å; F140-I144 VanDerWaalsContact CZ-CD1 3.45Å; F140-I144 HydrophobicContact CZ-CG1 4.49Å; F140-I144 WeakPolarHBondContact O-CG1 3.34Å; F140-I144 PolarHBondContact O-N 2.85Å; F140-I144 VanDerWaalsContact O-N 3.08Å; F141-I144 PolarHBondContact O-N 3.47Å; T142-I144 PolarHBondContact O-N 2.86Å; I144-I146 VanDerWaalsContact C-N 3.32Å; I144-I146 PolarHBondContact O-N 2.82Å; I144-W147 PolarHBondContact O-N 3.4Å; I144-I148 HydrophobicContact CG2-CD1 3.52Å; I144-I148 HydrophobicContact CG2-CG1 4.22Å; I144-I148 WeakPolarHBondContact O-CG1 3.19Å; I144-I148 PolarHBondContact O-N 3.3Å |
| 145 | L | 95.3 | Very high | 91.6 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 56% | 0.555 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 179.7 | -72.8 | 171.6 | 0 | 0 | 0 | 111.9 | F141 T142 V143 S149 | F141-L145 WeakPolarHBondContact O-CB 3.4Å; F141-L145 VanDerWaalsContact O-CG 3.28Å; F141-L145 WeakPolarHBondContact O-CG 3.4Å; F141-L145 PolarHBondContact O-N 3.41Å; T142-L145 PolarHBondContact O-N 3.4Å; V143-L145 PolarHBondContact O-N 3.31Å; L145-S149 WeakPolarHBondContact O-CB 3.34Å; L145-S149 PolarHBondContact O-N 3.43Å; L145-S149 PolarHBondContact O-OG 3.18Å |
| 146 | I | 95.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.7 | -51 | 174.8 | -66.6 | 163.9 | 0 | 0 | 0 | 110.2 | F54 L108 P111 I115 T142 V143 I144 I148 S149 V150 | F54-I146 HydrophobicContact CE2-CD1 3.7Å; F54-I146 HydrophobicContact CZ-CD1 3.46Å; F54-I146 VanDerWaalsContact CZ-CD1 3.46Å; L108-I146 HydrophobicContact CD1-CG2 3.56Å; P111-I146 HydrophobicContact CB-CG2 4.33Å; P111-I146 HydrophobicContact CG-CG2 4.25Å; I115-I146 HydrophobicContact CD1-CD1 3.35Å; I115-I146 HydrophobicContact CD1-CG1 3.64Å; T142-I146 HydrophobicContact CG2-CD1 4.05Å; T142-I146 VanDerWaalsContact O-CG1 3.23Å; T142-I146 WeakPolarHBondContact O-CG1 3.4Å; T142-I146 PolarHBondContact O-N 3.36Å; V143-I146 PolarHBondContact O-N 2.99Å; I144-I146 VanDerWaalsContact C-N 3.32Å; I144-I146 PolarHBondContact O-N 2.82Å; I146-I148 PolarHBondContact O-N 2.87Å; I146-S149 PolarHBondContact O-N 2.84Å; I146-V150 HydrophobicContact CG2-CG2 4.5Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.87Å |
| 147 | W | 95.4 | Very high | 91.5 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 8% | 0.076 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 179.3 | -80.6 | 110.5 | 0 | 0 | 0 | 111.9 | F58 S61 L62 I65 T104 Y105 L108 V143 I144 S149 V150 L151 | F58-W147 HydrophobicContact CE2-CZ2 4.25Å; F58-W147 AromaticContact CE2-NE1 3.99Å; F58-W147 HydrophobicContact CZ-CZ2 4.25Å; S61-W147 PolarHBondContact OG-NE1 3.27Å; L62-W147 HydrophobicContact CD1-CH2 3.94Å; L62-W147 HydrophobicContact CD1-CZ2 4.14Å; I65-W147 HydrophobicContact CB-CH2 4.26Å; I65-W147 HydrophobicContact CB-CZ2 4.44Å; I65-W147 HydrophobicContact CG1-CD2 4.5Å; I65-W147 HydrophobicContact CG1-CH2 4.09Å; I65-W147 HydrophobicContact CG1-CZ2 3.96Å; I65-W147 HydrophobicContact CG1-CZ3 4.39Å; I65-W147 HydrophobicContact CG2-CH2 4.18Å; I65-W147 HydrophobicContact CG2-CZ3 4.28Å; T104-W147 HydrophobicContact CG2-CE3 3.96Å; T104-W147 HydrophobicContact CG2-CZ3 3.67Å; Y105-W147 HydrophobicContact CD1-CH2 4.16Å; Y105-W147 HydrophobicContact CD1-CZ3 4.32Å; Y105-W147 AromaticContact CE1-CH2 3.54Å; Y105-W147 HydrophobicContact CE1-CH2 3.54Å; Y105-W147 AromaticContact CE1-CZ3 3.86Å; Y105-W147 HydrophobicContact CE1-CZ3 3.86Å; L108-W147 HydrophobicContact CD2-CD2 4.41Å; L108-W147 HydrophobicContact CD2-CE3 4.11Å; L108-W147 HydrophobicContact CD2-CH2 3.38Å; L108-W147 HydrophobicContact CD2-CZ2 3.75Å; L108-W147 HydrophobicContact CD2-CZ3 3.6Å; V143-W147 PolarHBondContact O-N 2.93Å; I144-W147 PolarHBondContact O-N 3.4Å; W147-S149 PolarHBondContact O-N 2.9Å; W147-V150 PolarHBondContact O-N 3.4Å; W147-L151 VanDerWaalsContact O-CB 3.26Å; W147-L151 WeakPolarHBondContact O-CB 3.31Å; W147-L151 VanDerWaalsContact O-CG 3.24Å; W147-L151 WeakPolarHBondContact O-CG 3.48Å; W147-L151 PolarHBondContact O-N 2.93Å |
| 148 | I | 94 | Very high | 90.8 | Very high | 98 Ų | 98 | 61.3 Ų | 61.3 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 179.8 | -67.4 | 172.7 | 0 | 0 | 0 | 110.5 | I144 I146 L151 A152 | I144-I148 HydrophobicContact CG2-CD1 3.52Å; I144-I148 HydrophobicContact CG2-CG1 4.22Å; I144-I148 WeakPolarHBondContact O-CG1 3.19Å; I144-I148 PolarHBondContact O-N 3.3Å; I146-I148 PolarHBondContact O-N 2.87Å; I148-L151 PolarHBondContact O-N 3.02Å; I148-A152 WeakPolarHBondContact O-CB 3.3Å; I148-A152 PolarHBondContact O-N 2.92Å |
| 149 | S | 93.9 | Very high | 90.1 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 52% | 0.517 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -45.2 | -177.5 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | L145 I146 W147 Y153 | L145-S149 WeakPolarHBondContact O-CB 3.34Å; L145-S149 PolarHBondContact O-N 3.43Å; L145-S149 PolarHBondContact O-OG 3.18Å; I146-S149 PolarHBondContact O-N 2.84Å; W147-S149 PolarHBondContact O-N 2.9Å; S149-Y153 WeakPolarHBondContact O-CB 3.1Å; S149-Y153 PolarHBondContact O-N 3.03Å |
| 150 | V | 93.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 59 Ų | 59 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.7 | -41.1 | 179 | 178 | 0 | 0 | 0 | 0 | 111.1 | T104 F107 L108 P111 I146 W147 Y153 V154 | T104-V150 HydrophobicContact CG2-CG1 3.93Å; F107-V150 HydrophobicContact CB-CG1 3.87Å; L108-V150 HydrophobicContact CD1-CB 4.06Å; L108-V150 HydrophobicContact CD1-CG1 4.28Å; L108-V150 HydrophobicContact CD1-CG2 3.73Å; P111-V150 HydrophobicContact CG-CG2 4.19Å; I146-V150 HydrophobicContact CG2-CG2 4.5Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.87Å; W147-V150 PolarHBondContact O-N 3.4Å; V150-Y153 WeakPolarHBondContact O-CB 3.3Å; V150-Y153 PolarHBondContact O-N 3.38Å; V150-V154 HydrophobicContact CG1-CG2 4.33Å; V150-V154 VanDerWaalsContact O-CG2 3.31Å; V150-V154 WeakPolarHBondContact O-CG2 3.2Å; V150-V154 PolarHBondContact O-N 2.93Å |
| 151 | L | 92 | Very high | 88.4 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 175.4 | -75.7 | 168.8 | 0 | 0 | 0 | 111.9 | I100 T104 W147 I148 Y153 V154 L155 | I100-L151 HydrophobicContact CG2-CD2 4.18Å; T104-L151 HydrophobicContact CG2-CD2 4.05Å; T104-L151 HydrophobicContact CG2-CG 4.29Å; T104-L151 WeakPolarHBondContact OG1-CD2 3.42Å; W147-L151 VanDerWaalsContact O-CB 3.26Å; W147-L151 WeakPolarHBondContact O-CB 3.31Å; W147-L151 VanDerWaalsContact O-CG 3.24Å; W147-L151 WeakPolarHBondContact O-CG 3.48Å; W147-L151 PolarHBondContact O-N 2.93Å; I148-L151 PolarHBondContact O-N 3.02Å; L151-Y153 VanDerWaalsContact C-N 3.29Å; L151-Y153 PolarHBondContact O-N 3.3Å; L151-V154 PolarHBondContact O-N 3.44Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 3.49Å |
| 152 | A | 91.4 | Very high | 87.1 | Confident | 58 Ų | 58 | 60.6 Ų | 60.6 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I148 G156 | I148-A152 WeakPolarHBondContact O-CB 3.3Å; I148-A152 PolarHBondContact O-N 2.92Å; A152-G156 WeakPolarHBondContact O-CA 3.34Å; A152-G156 PolarHBondContact O-N 2.97Å |
| 153 | Y | 90.6 | Very high | 85.9 | Confident | 112 Ų | 112 | 61.6 Ų | 61.6 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.2 | -50.2 | 173.5 | 175.8 | -106.5 | 0 | 0 | 0 | 112 | F107 S149 V150 L151 L155 G156 D157 I160 | F107-Y153 AromaticContact CD1-CE1 3.98Å; F107-Y153 HydrophobicContact CD1-CE1 3.98Å; F107-Y153 HydrophobicContact CD2-CD1 4.34Å; F107-Y153 HydrophobicContact CD2-CE1 4.17Å; F107-Y153 AromaticContact CE1-CE1 3.72Å; F107-Y153 HydrophobicContact CE1-CE1 3.72Å; F107-Y153 HydrophobicContact CE2-CD1 4.49Å; F107-Y153 AromaticContact CE2-CE1 3.96Å; F107-Y153 HydrophobicContact CE2-CE1 3.96Å; F107-Y153 HydrophobicContact CG-CD1 4.41Å; F107-Y153 HydrophobicContact CG-CE1 4.21Å; F107-Y153 AromaticContact CZ-CE1 3.74Å; F107-Y153 HydrophobicContact CZ-CE1 3.74Å; S149-Y153 WeakPolarHBondContact O-CB 3.1Å; S149-Y153 PolarHBondContact O-N 3.03Å; V150-Y153 WeakPolarHBondContact O-CB 3.3Å; V150-Y153 PolarHBondContact O-N 3.38Å; L151-Y153 VanDerWaalsContact C-N 3.29Å; L151-Y153 PolarHBondContact O-N 3.3Å; Y153-L155 VanDerWaalsContact C-N 3.33Å; Y153-L155 PolarHBondContact O-N 3.38Å; Y153-G156 PolarHBondContact O-N 3.48Å; Y153-D157 WeakPolarHBondContact O-CB 3.42Å; Y153-D157 PolarHBondContact O-N 2.91Å; Y153-D157 PolarHBondContact OH-OD2 3.32Å; Y153-I160 HydrophobicContact CE1-CD1 4.25Å |
| 154 | V | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.4 | -39.2 | 179.9 | 167.9 | 0 | 0 | 0 | 0 | 112.2 | F103 F107 V150 L151 I160 | F103-V154 HydrophobicContact CB-CG1 3.76Å; F103-V154 HydrophobicContact CB-CG2 4.02Å; F107-V154 HydrophobicContact CD2-CG2 3.91Å; F107-V154 HydrophobicContact CE2-CG2 4.35Å; V150-V154 HydrophobicContact CG1-CG2 4.33Å; V150-V154 VanDerWaalsContact O-CG2 3.31Å; V150-V154 WeakPolarHBondContact O-CG2 3.2Å; V150-V154 PolarHBondContact O-N 2.93Å; L151-V154 PolarHBondContact O-N 3.44Å; V154-I160 HydrophobicContact CG1-CG2 4.12Å; V154-I160 WeakPolarHBondContact O-CG2 3.4Å |
| 155 | L | 87.2 | Confident | 83.1 | Confident | 92 Ų | 92 | 64 Ų | 64 | 48% | 0.482 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -82.1 | -27.2 | -179.7 | -65.1 | 174.7 | 0 | 0 | 0 | 113.2 | I100 L151 Y153 | I100-L155 HydrophobicContact CD1-CD2 4.3Å; I100-L155 HydrophobicContact CG1-CD2 4.5Å; L151-L155 WeakPolarHBondContact O-CB 3.45Å; L151-L155 VanDerWaalsContact O-CG 3.26Å; L151-L155 WeakPolarHBondContact O-CG 3.34Å; L151-L155 PolarHBondContact O-N 3.49Å; Y153-L155 VanDerWaalsContact C-N 3.33Å; Y153-L155 PolarHBondContact O-N 3.38Å |
| 156 | G | 84.2 | Confident | 81.5 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -88.6 | -23.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A152 Y153 P158 | A152-G156 WeakPolarHBondContact O-CA 3.34Å; A152-G156 PolarHBondContact O-N 2.97Å; Y153-G156 PolarHBondContact O-N 3.48Å; G156-P158 WeakPolarHBondContact O-CD 3.5Å |
| 157 | D | 82.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 20% | 0.203 | 39% | 0.389 | C | S | . | . | trans | -71.1 | 118.8 | 178.9 | -172.2 | -51.6 | 0 | 0 | 0 | 110.6 | Y153 A159 I160 Y161 | Y153-D157 WeakPolarHBondContact O-CB 3.42Å; Y153-D157 PolarHBondContact O-N 2.91Å; Y153-D157 PolarHBondContact OH-OD2 3.32Å; D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 3.26Å; D157-A159 WeakPolarHBondContact OD1-CA 3.39Å; D157-A159 WeakPolarHBondContact OD1-CB 3.46Å; D157-A159 PolarHBondContact OD1-N 3.39Å; D157-I160 HydrophobicContact CB-CB 4.1Å; D157-I160 HydrophobicContact CB-CD1 3.84Å; D157-I160 HydrophobicContact CB-CG1 3.93Å; D157-I160 PolarHBondContact O-N 3.08Å; D157-I160 PolarHBondContact OD1-N 3.2Å; D157-Y161 WeakPolarHBondContact O-CB 3.29Å; D157-Y161 PolarHBondContact O-N 2.89Å | ||
| 158 | P | 74.3 | Confident | 77.4 | Confident | 99 Ų | 99 | 75 Ų | 75 | 64% | 0.643 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.3 | -28.9 | -175.6 | 26.3 | -33.8 | 0 | 0 | 0 | 113.3 | G156 Q162 | G156-P158 WeakPolarHBondContact O-CD 3.5Å; P158-Q162 WeakPolarHBondContact O-CB 3.37Å; P158-Q162 PolarHBondContact O-N 3.02Å |
| 159 | A | 75.3 | Confident | 75.2 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.9 | -40.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | D157 Q162 S163 | D157-A159 VanDerWaalsContact C-N 3.29Å; D157-A159 PolarHBondContact O-N 3.26Å; D157-A159 WeakPolarHBondContact OD1-CA 3.39Å; D157-A159 WeakPolarHBondContact OD1-CB 3.46Å; D157-A159 PolarHBondContact OD1-N 3.39Å; A159-Q162 PolarHBondContact O-N 2.9Å; A159-S163 PolarHBondContact O-N 2.7Å; A159-S163 VanDerWaalsContact O-N 3.15Å |
| 160 | I | 75.6 | Confident | 72.9 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.072 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 173.9 | -58.5 | 178.2 | 0 | 0 | 0 | 109.8 | F103 F107 Y153 V154 D157 Q162 S163 L164 | F103-I160 HydrophobicContact CD1-CG2 4.14Å; F103-I160 HydrophobicContact CD2-CG2 3.86Å; F103-I160 HydrophobicContact CE1-CG2 4.27Å; F103-I160 HydrophobicContact CE2-CG2 4.03Å; F103-I160 HydrophobicContact CG-CG2 3.94Å; F103-I160 HydrophobicContact CZ-CG2 4.23Å; F107-I160 HydrophobicContact CE2-CD1 3.73Å; F107-I160 HydrophobicContact CZ-CD1 4.02Å; Y153-I160 HydrophobicContact CE1-CD1 4.25Å; V154-I160 HydrophobicContact CG1-CG2 4.12Å; V154-I160 WeakPolarHBondContact O-CG2 3.4Å; D157-I160 HydrophobicContact CB-CB 4.1Å; D157-I160 HydrophobicContact CB-CD1 3.84Å; D157-I160 HydrophobicContact CB-CG1 3.93Å; D157-I160 PolarHBondContact O-N 3.08Å; D157-I160 PolarHBondContact OD1-N 3.2Å; I160-Q162 VanDerWaalsContact C-N 3.26Å; I160-Q162 PolarHBondContact O-N 2.99Å; I160-S163 WeakPolarHBondContact O-CA 3.48Å; I160-S163 WeakPolarHBondContact O-CB 3.34Å; I160-S163 PolarHBondContact O-N 3.17Å; I160-S163 PolarHBondContact O-OG 3.49Å; I160-L164 HydrophobicContact CG2-CD1 4.18Å; I160-L164 HydrophobicContact CG2-CG 4.49Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.91Å |
| 161 | Y | 69.4 | Low | 70.7 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 49% | 0.494 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58 | -38.3 | 176 | -175.6 | -104.4 | 0 | 0 | 0 | 112.7 | D157 S163 L164 K165 | D157-Y161 WeakPolarHBondContact O-CB 3.29Å; D157-Y161 PolarHBondContact O-N 2.89Å; Y161-S163 VanDerWaalsContact C-N 3.33Å; Y161-S163 PolarHBondContact O-N 3.49Å; Y161-L164 PolarHBondContact O-N 2.96Å; Y161-K165 PolarHBondContact O-N 3.48Å |
| 162 | Q | 66.9 | Low | 68.9 | Low | 138 Ų | 138 | 90.3 Ų | 90.3 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.7 | -32.1 | 174.4 | -172 | 170.4 | -2 | 0 | 0 | 112.7 | P158 A159 I160 K165 | P158-Q162 WeakPolarHBondContact O-CB 3.37Å; P158-Q162 PolarHBondContact O-N 3.02Å; A159-Q162 PolarHBondContact O-N 2.9Å; I160-Q162 VanDerWaalsContact C-N 3.26Å; I160-Q162 PolarHBondContact O-N 2.99Å; Q162-K165 PolarHBondContact O-N 3.24Å |
| 163 | S | 68 | Low | 67.3 | Low | 41 Ų | 41 | 93.5 Ų | 93.5 | 29% | 0.287 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.5 | -24.9 | 173.5 | 77.6 | 0 | 0 | 0 | 0 | 113.8 | F103 A159 I160 Y161 K165 | F103-S163 WeakPolarHBondContact CE2-OG 3.31Å; F103-S163 VanDerWaalsContact CZ-OG 3.23Å; F103-S163 WeakPolarHBondContact CZ-OG 3.14Å; A159-S163 PolarHBondContact O-N 2.7Å; A159-S163 VanDerWaalsContact O-N 3.15Å; I160-S163 WeakPolarHBondContact O-CA 3.48Å; I160-S163 WeakPolarHBondContact O-CB 3.34Å; I160-S163 PolarHBondContact O-N 3.17Å; I160-S163 PolarHBondContact O-OG 3.49Å; Y161-S163 VanDerWaalsContact C-N 3.33Å; Y161-S163 PolarHBondContact O-N 3.49Å; S163-K165 VanDerWaalsContact C-N 3.34Å |
| 164 | L | 67.4 | Low | 66.1 | Low | 9 Ų | 9 | 89.6 Ų | 89.6 | 5% | 0.047 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -78.6 | -17.9 | 173.9 | -68.5 | 167.2 | 0 | 0 | 0 | 112.7 | Y92 L96 Q99 I100 F103 I160 Y161 | Y92-L164 PolarHBondContact OH-O 3.47Å; L96-L164 HydrophobicContact CD1-CB 4.2Å; L96-L164 HydrophobicContact CD1-CD2 4.13Å; Q99-L164 HydrophobicContact CB-CD2 3.64Å; I100-L164 HydrophobicContact CG1-CD1 4.25Å; I100-L164 HydrophobicContact CG1-CD2 3.89Å; F103-L164 HydrophobicContact CD2-CD2 4.26Å; F103-L164 HydrophobicContact CE2-CD2 4.22Å; I160-L164 HydrophobicContact CG2-CD1 4.18Å; I160-L164 HydrophobicContact CG2-CG 4.49Å; I160-L164 WeakPolarHBondContact O-CG 3.49Å; I160-L164 PolarHBondContact O-N 2.91Å; Y161-L164 PolarHBondContact O-N 2.96Å |
| 165 | K | 64.1 | Low | 65 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -70.5 | 142.9 | 173.2 | -75.7 | -175.1 | -179.7 | 179.3 | 0 | 110.2 | Y161 Q162 S163 Q167 | Y161-K165 PolarHBondContact O-N 3.48Å; Q162-K165 PolarHBondContact O-N 3.24Å; S163-K165 VanDerWaalsContact C-N 3.34Å; K165-Q167 PolarHBondContact O-N 3.48Å |
| 166 | P | 60.8 | Low | 64.1 | Low | 94 Ų | 94 | 94.7 Ų | 94.7 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | trans | -60.8 | 110.3 | -179.4 | 24.1 | -32.4 | 0 | 0 | 0 | 110.6 | Y92 N168 | Y92-P166 HydrophobicContact CE2-CB 4.13Å; Y92-P166 HydrophobicContact CE2-CG 4.36Å; P166-N168 PolarHBondContact O-N 3.08Å | ||
| 167 | Q | 54.8 | Low | 63.6 | Low | 137 Ų | 137 | 94.4 Ų | 94.4 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -78.9 | 108.2 | 168.8 | -73.2 | -170.8 | -6.1 | 0 | 0 | 108.7 | K165 S171 | K165-Q167 PolarHBondContact O-N 3.48Å; Q167-S171 PolarHBondContact O-OG 3.44Å |
| 168 | N | 51.5 | Low | 63.1 | Low | 135 Ų | 135 | 95.2 Ų | 95.2 | 72% | 0.722 | 50% | 0.503 | S | S | * | . | trans | 58 | 116.2 | 177.4 | -60.2 | -24.4 | 0 | 0 | 0 | 114.7 | P166 Y170 S171 | P166-N168 PolarHBondContact O-N 3.08Å; N168-Y170 PolarHBondContact O-N 3.48Å; N168-S171 PolarHBondContact O-N 3.27Å; N168-S171 PolarHBondContact O-OG 2.9Å | ||
| 169 | A | 47.9 | Very low | 63 | Low | 103 Ų | 103 | 90.6 Ų | 90.6 | 85% | 0.851 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 0.8 | -180 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 170 | Y | 44.8 | Very low | 63.1 | Low | 213 Ų | 213 | 92.4 Ų | 92.4 | 84% | 0.835 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.5 | -2.6 | -177 | -71.7 | -80.3 | 0 | 0 | 0 | 114.3 | N168 H172 | N168-Y170 PolarHBondContact O-N 3.48Å; Y170-H172 PolarHBondContact O-N 3.39Å |
| 171 | S | 47.8 | Very low | 63.1 | Low | 71 Ų | 71 | 93.4 Ų | 93.4 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | trans | -88 | 107.3 | 175.4 | 64.4 | 0 | 0 | 0 | 0 | 110.6 | Q167 N168 H173 | Q167-S171 PolarHBondContact O-OG 3.44Å; N168-S171 PolarHBondContact O-N 3.27Å; N168-S171 PolarHBondContact O-OG 2.9Å; S171-H173 PolarHBondContact O-N 3.35Å | ||
| 172 | H | 52.8 | Low | 63.3 | Low | 177 Ų | 177 | 87.6 Ų | 87.6 | 82% | 0.819 | 46% | 0.455 | S | S | * | . | trans | -75.5 | 5.4 | 176.2 | -66.5 | -66.7 | 0 | 0 | 0 | 113.6 | Y170 | Y170-H172 PolarHBondContact O-N 3.39Š| ||
| 173 | H | 57.6 | Low | 64 | Low | 126 Ų | 126 | 85.4 Ų | 85.4 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -114.7 | 127.9 | -175.1 | -63.5 | -64.4 | 0 | 0 | 0 | 110.3 | S171 P175 | S171-H173 PolarHBondContact O-N 3.35Å; H173-P175 WeakPolarHBondContact O-CD 3.4Å |
| 174 | C | 65.9 | Low | 64.9 | Low | 29 Ų | 29 | 88.9 Ų | 88.9 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 123.6 | 169.8 | -47.5 | 0 | 0 | 0 | 0 | 108.5 | C95 F176 | C95-C174 WeakPolarHBondContact CA-SG 3.4Å; C95-C174 HydrophobicContact CB-CB 3.69Å; C95-C174 WeakPolarHBondContact CB-SG 3.24Å; C95-C174 WeakPolarHBondContact SG-CB 3.21Å; C95-C174 CovalentContact SG-SG 2.03Å; C95-C174 PolarHBondContact SG-SG 3.32Å; C174-F176 PolarHBondContact O-N 2.84Å |
| 175 | P | 66 | Low | 65.5 | Low | 78 Ų | 78 | 89.4 Ų | 89.4 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 130.4 | 172.3 | 19.1 | -23.5 | 0 | 0 | 0 | 109.2 | Q99 H173 | Q99-P175 VanDerWaalsContact NE2-CD 3.28Å; Q99-P175 VanDerWaalsContact NE2-CG 3.26Å; Q99-P175 PolarHBondContact NE2-O 2.94Å; H173-P175 WeakPolarHBondContact O-CD 3.4Å |
| 176 | F | 67.9 | Low | 66.5 | Low | 122 Ų | 122 | 84.7 Ų | 84.7 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 127.4 | 176.8 | 49.6 | -90.3 | 0 | 0 | 0 | 109.6 | C174 V178 P270 | C174-F176 PolarHBondContact O-N 2.84Å; F176-V178 HydrophobicContact CD2-CG2 3.89Å; F176-V178 HydrophobicContact CE2-CG2 4.19Å; F176-P270 HydrophobicContact CB-CB 4.42Å |
| 177 | Y | 73.5 | Confident | 67.8 | Low | 54 Ų | 54 | 83.2 Ų | 83.2 | 21% | 0.212 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 125.4 | 173.7 | 177.1 | -108.5 | 0 | 0 | 0 | 109.6 | F103 A271 | F103-Y177 AromaticContact CD1-CD1 3.86Å; F103-Y177 HydrophobicContact CD1-CD1 3.86Å; F103-Y177 AromaticContact CD1-CD2 3.89Å; F103-Y177 HydrophobicContact CD1-CD2 3.89Å; F103-Y177 AromaticContact CD1-CE1 3.82Å; F103-Y177 HydrophobicContact CD1-CE1 3.82Å; F103-Y177 AromaticContact CD1-CE2 3.84Å; F103-Y177 HydrophobicContact CD1-CE2 3.84Å; F103-Y177 AromaticContact CD1-CG 3.9Å; F103-Y177 HydrophobicContact CD1-CG 3.9Å; F103-Y177 AromaticContact CD1-CZ 3.8Å; F103-Y177 HydrophobicContact CE1-CD1 4.11Å; F103-Y177 AromaticContact CE1-CD2 3.27Å; F103-Y177 HydrophobicContact CE1-CD2 3.27Å; F103-Y177 HydrophobicContact CE1-CE1 4.18Å; F103-Y177 AromaticContact CE1-CE2 3.35Å; F103-Y177 HydrophobicContact CE1-CE2 3.35Å; F103-Y177 AromaticContact CE1-CG 3.67Å; F103-Y177 HydrophobicContact CE1-CG 3.67Å; F103-Y177 AromaticContact CE1-CZ 3.82Å; F103-Y177 HydrophobicContact CG-CD1 4.42Å; F103-Y177 AromaticContact CZ-CD2 3.78Å; F103-Y177 HydrophobicContact CZ-CD2 3.78Å; F103-Y177 HydrophobicContact CZ-CE2 4.28Å; F103-Y177 HydrophobicContact CZ-CG 4.1Å; Y177-A271 HydrophobicContact CD1-CB 3.73Å; Y177-A271 HydrophobicContact CE1-CB 4.3Å; Y177-A271 WeakPolarHBondContact O-CB 3.23Å; Y177-A271 PolarHBondContact O-N 3.47Å |
| 178 | V | 72.2 | Confident | 69.4 | Low | 55 Ų | 55 | 82.1 Ų | 82.1 | 33% | 0.333 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -103.9 | 117.9 | 172.8 | -177 | 0 | 0 | 0 | 0 | 107.1 | F176 I180 Q268 | F176-V178 HydrophobicContact CD2-CG2 3.89Å; F176-V178 HydrophobicContact CE2-CG2 4.19Å; V178-I180 PolarHBondContact O-N 2.99Å; V178-Q268 HydrophobicContact CG1-CB 4.47Å; V178-Q268 HydrophobicContact CG2-CB 3.99Å; V178-Q268 HydrophobicContact CG2-CG 4.5Å |
| 179 | S | 71.8 | Confident | 71.1 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.014 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -77 | 116.3 | -177.9 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | Q181 S182 | S179-Q181 PolarHBondContact O-N 3.17Å; S179-Q181 PolarHBondContact OG-N 3.36Å; S179-S182 VanDerWaalsContact CB-OG 3.23Å; S179-S182 WeakPolarHBondContact CB-OG 3.35Å; S179-S182 PolarHBondContact OG-N 2.83Å; S179-S182 PolarHBondContact OG-OG 2.95Å |
| 180 | I | 77.9 | Confident | 73.1 | Confident | 104 Ų | 104 | 72 Ų | 72 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.7 | -30.3 | 170.4 | -166.8 | 68.5 | 0 | 0 | 0 | 111.1 | V178 Y183 W184 | V178-I180 PolarHBondContact O-N 2.99Å; I180-Y183 PolarHBondContact O-N 2.96Å; I180-W184 PolarHBondContact O-N 3.25Å |
| 181 | Q | 76.1 | Confident | 75.3 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -70.1 | -42.4 | -172.8 | -63 | 168.3 | -28.7 | 0 | 0 | 111.2 | G106 F107 Y110 S179 W184 L185 | G106-Q181 VanDerWaalsContact C-OE1 3.25Å; G106-Q181 PolarHBondContact O-OE1 3.32Å; F107-Q181 VanDerWaalsContact CD1-NE2 3.26Å; Y110-Q181 HydrophobicContact CE2-CB 3.74Å; Y110-Q181 HydrophobicContact CE2-CG 3.72Å; S179-Q181 PolarHBondContact O-N 3.17Å; S179-Q181 PolarHBondContact OG-N 3.36Å; Q181-W184 PolarHBondContact O-N 3.49Å; Q181-L185 WeakPolarHBondContact O-CB 3.23Å; Q181-L185 PolarHBondContact O-N 2.95Å |
| 182 | S | 74.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69 | -37 | 179.1 | -45.7 | 0 | 0 | 0 | 0 | 112.3 | H109 S179 L185 S186 E274 | H109-S182 PolarHBondContact CD2-OG 2.88Å; H109-S182 PolarHBondContact NE2-OG 3.22Å; H109-S182 VanDerWaalsContact NE2-OG 3.15Å; S179-S182 VanDerWaalsContact CB-OG 3.23Å; S179-S182 WeakPolarHBondContact CB-OG 3.35Å; S179-S182 PolarHBondContact OG-N 2.83Å; S179-S182 PolarHBondContact OG-OG 2.95Å; S182-L185 PolarHBondContact O-N 3.31Å; S182-S186 PolarHBondContact O-N 2.96Å; S182-E274 WeakPolarHBondContact CB-OE1 3.28Å; S182-E274 WeakPolarHBondContact CB-OE2 3.33Å; S182-E274 VanDerWaalsContact OG-CD 3.26Å; S182-E274 PolarHBondContact OG-OE2 2.03Å |
| 183 | Y | 81.7 | Confident | 79.1 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.4 | -51 | 171.3 | 172.4 | -90.5 | 0 | 0 | 0 | 111.2 | I180 L185 S186 F187 L263 | I180-Y183 PolarHBondContact O-N 2.96Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 3.45Å; Y183-S186 PolarHBondContact O-N 3.33Å; Y183-F187 VanDerWaalsContact O-CB 3.3Å; Y183-F187 WeakPolarHBondContact O-CB 3.35Å; Y183-F187 PolarHBondContact O-N 3.44Å; Y183-L263 HydrophobicContact CD2-CD2 3.66Å; Y183-L263 HydrophobicContact CE2-CD2 3.4Å; Y183-L263 VanDerWaalsContact CE2-CD2 3.4Å |
| 184 | W | 85.2 | Confident | 80.6 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 43% | 0.432 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.8 | -77.3 | 112.9 | 0 | 0 | 0 | 111.9 | I180 Q181 F187 F188 | I180-W184 PolarHBondContact O-N 3.25Å; Q181-W184 PolarHBondContact O-N 3.49Å; W184-F187 HydrophobicContact CE3-CD1 4.34Å; W184-F187 HydrophobicContact CZ3-CD1 4.41Å; W184-F187 PolarHBondContact O-N 2.95Å; W184-F188 HydrophobicContact CB-CD2 4.32Å; W184-F188 HydrophobicContact CB-CE2 4.13Å; W184-F188 AromaticContact CE3-CE2 3.97Å; W184-F188 HydrophobicContact CE3-CE2 3.97Å; W184-F188 HydrophobicContact CE3-CZ 4.1Å; W184-F188 WeakPolarHBondContact O-CD2 3.4Å; W184-F188 WeakPolarHBondContact O-CG 3.48Å; W184-F188 PolarHBondContact O-N 3.34Å |
| 185 | L | 81.9 | Confident | 81.8 | Confident | 20 Ų | 20 | 61.8 Ų | 61.8 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 178.8 | -175.3 | 59.7 | 0 | 0 | 0 | 112 | H109 Q181 S182 Y183 F188 M189 W279 | H109-L185 HydrophobicContact CB-CD2 3.88Å; Q181-L185 WeakPolarHBondContact O-CB 3.23Å; Q181-L185 PolarHBondContact O-N 2.95Å; S182-L185 PolarHBondContact O-N 3.31Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 3.45Å; L185-F188 PolarHBondContact O-N 3.48Å; L185-M189 HydrophobicContact CD1-CG 4.49Å; L185-M189 WeakPolarHBondContact O-CB 3.48Å; L185-M189 WeakPolarHBondContact O-CG 3.42Å; L185-M189 PolarHBondContact O-N 2.86Å; L185-W279 HydrophobicContact CD2-CH2 3.66Å; L185-W279 HydrophobicContact CD2-CZ2 3.45Å; L185-W279 VanDerWaalsContact CD2-CZ2 3.45Å; L185-W279 HydrophobicContact CG-CZ2 4.24Å |
| 186 | S | 83.5 | Confident | 82.9 | Confident | 15 Ų | 15 | 58.9 Ų | 58.9 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174.8 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | S182 Y183 F188 M189 V190 Q259 | S182-S186 PolarHBondContact O-N 2.96Å; Y183-S186 PolarHBondContact O-N 3.33Å; S186-F188 PolarHBondContact O-N 3.5Å; S186-M189 PolarHBondContact O-N 3.28Å; S186-V190 WeakPolarHBondContact O-CG2 3.23Å; S186-V190 PolarHBondContact O-N 3.45Å; S186-Q259 PolarHBondContact OG-OE1 3.35Å |
| 187 | F | 88.4 | Confident | 83.8 | Confident | 63 Ų | 63 | 55.8 Ų | 55.8 | 28% | 0.276 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.2 | -50.2 | 176.6 | 179.8 | -95 | 0 | 0 | 0 | 112.1 | Y183 W184 M189 V190 M191 L263 | Y183-F187 VanDerWaalsContact O-CB 3.3Å; Y183-F187 WeakPolarHBondContact O-CB 3.35Å; Y183-F187 PolarHBondContact O-N 3.44Å; W184-F187 HydrophobicContact CE3-CD1 4.34Å; W184-F187 HydrophobicContact CZ3-CD1 4.41Å; W184-F187 PolarHBondContact O-N 2.95Å; F187-M189 VanDerWaalsContact C-N 3.35Å; F187-M189 PolarHBondContact O-N 2.89Å; F187-V190 PolarHBondContact O-N 2.86Å; F187-M191 HydrophobicContact CD1-CG 4.18Å; F187-M191 HydrophobicContact CD2-CE 4.14Å; F187-M191 HydrophobicContact CE1-CE 4.49Å; F187-M191 HydrophobicContact CE1-CG 3.84Å; F187-M191 HydrophobicContact CE2-CE 3.36Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CG-CG 4.5Å; F187-M191 HydrophobicContact CZ-CE 3.58Å; F187-M191 HydrophobicContact CZ-CG 3.85Å; F187-M191 HydrophobicContact CZ-SD 4.37Å; F187-M191 WeakPolarHBondContact O-CB 3.34Å; F187-M191 VanDerWaalsContact O-CG 3.24Å; F187-M191 WeakPolarHBondContact O-CG 3.29Å; F187-M191 PolarHBondContact O-N 3.34Å; F187-L263 HydrophobicContact CB-CD2 4.48Å |
| 188 | F | 89.3 | Confident | 84.5 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 178.3 | -75.8 | -58.8 | 0 | 0 | 0 | 112.2 | W184 L185 S186 M191 I192 | W184-F188 HydrophobicContact CB-CD2 4.32Å; W184-F188 HydrophobicContact CB-CE2 4.13Å; W184-F188 AromaticContact CE3-CE2 3.97Å; W184-F188 HydrophobicContact CE3-CE2 3.97Å; W184-F188 HydrophobicContact CE3-CZ 4.1Å; W184-F188 WeakPolarHBondContact O-CD2 3.4Å; W184-F188 WeakPolarHBondContact O-CG 3.48Å; W184-F188 PolarHBondContact O-N 3.34Å; L185-F188 PolarHBondContact O-N 3.48Å; S186-F188 PolarHBondContact O-N 3.5Å; F188-M191 PolarHBondContact O-N 2.98Å; F188-I192 VanDerWaalsContact O-CG1 3.26Å; F188-I192 WeakPolarHBondContact O-CG1 3.49Å; F188-I192 PolarHBondContact O-N 3.26Å |
| 189 | M | 86.3 | Confident | 85.1 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.039 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.7 | -70.4 | -77.3 | -69.5 | 0 | 0 | 112 | L185 S186 F187 M191 I192 L193 F282 F286 | L185-M189 HydrophobicContact CD1-CG 4.49Å; L185-M189 WeakPolarHBondContact O-CB 3.48Å; L185-M189 WeakPolarHBondContact O-CG 3.42Å; L185-M189 PolarHBondContact O-N 2.86Å; S186-M189 PolarHBondContact O-N 3.28Å; F187-M189 VanDerWaalsContact C-N 3.35Å; F187-M189 PolarHBondContact O-N 2.89Å; M189-M191 VanDerWaalsContact C-N 3.34Å; M189-M191 PolarHBondContact O-N 2.97Å; M189-I192 PolarHBondContact O-N 2.92Å; M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 WeakPolarHBondContact O-CG 3.38Å; M189-L193 PolarHBondContact O-N 3.44Å; M189-F282 HydrophobicContact CE-CD1 4.39Å; M189-F282 HydrophobicContact CE-CE1 3.76Å; M189-F282 HydrophobicContact CE-CZ 4.39Å; M189-F286 HydrophobicContact CE-CB 3.55Å; M189-F286 HydrophobicContact CE-CD1 3.36Å; M189-F286 HydrophobicContact CE-CD2 3.63Å; M189-F286 HydrophobicContact CE-CE1 3.88Å; M189-F286 HydrophobicContact CE-CE2 4.12Å; M189-F286 HydrophobicContact CE-CG 3.21Å; M189-F286 HydrophobicContact CE-CZ 4.22Å; M189-F286 HydrophobicContact SD-CD1 3.52Å; M189-F286 VanDerWaalsContact SD-CD1 3.52Å; M189-F286 HydrophobicContact SD-CD2 4.27Å; M189-F286 HydrophobicContact SD-CE1 3.42Å; M189-F286 WeakPolarHBondContact SD-CE1 3.44Å; M189-F286 HydrophobicContact SD-CE2 4.18Å; M189-F286 HydrophobicContact SD-CG 3.95Å; M189-F286 HydrophobicContact SD-CZ 3.76Å |
| 190 | V | 89.8 | Confident | 85.6 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 176.4 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | S186 F187 L193 F194 Q259 V260 L263 | S186-V190 WeakPolarHBondContact O-CG2 3.23Å; S186-V190 PolarHBondContact O-N 3.45Å; F187-V190 PolarHBondContact O-N 2.86Å; V190-L193 PolarHBondContact O-N 3.05Å; V190-F194 VanDerWaalsContact O-CB 3.29Å; V190-F194 WeakPolarHBondContact O-CB 3.47Å; V190-F194 PolarHBondContact O-N 3.49Å; V190-Q259 HydrophobicContact CG2-CB 4.09Å; V190-V260 HydrophobicContact CG1-CG2 3.89Å; V190-L263 HydrophobicContact CB-CD1 4.32Å; V190-L263 HydrophobicContact CG2-CD1 4.1Å |
| 191 | M | 91.2 | Very high | 85.8 | Confident | 82 Ų | 82 | 60.4 Ų | 60.4 | 40% | 0.404 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 177.8 | -73 | -60.7 | 163.4 | 0 | 0 | 112.4 | F187 F188 M189 F194 V195 | F187-M191 HydrophobicContact CD1-CG 4.18Å; F187-M191 HydrophobicContact CD2-CE 4.14Å; F187-M191 HydrophobicContact CE1-CE 4.49Å; F187-M191 HydrophobicContact CE1-CG 3.84Å; F187-M191 HydrophobicContact CE2-CE 3.36Å; F187-M191 HydrophobicContact CE2-CG 4.2Å; F187-M191 HydrophobicContact CG-CG 4.5Å; F187-M191 HydrophobicContact CZ-CE 3.58Å; F187-M191 HydrophobicContact CZ-CG 3.85Å; F187-M191 HydrophobicContact CZ-SD 4.37Å; F187-M191 WeakPolarHBondContact O-CB 3.34Å; F187-M191 VanDerWaalsContact O-CG 3.24Å; F187-M191 WeakPolarHBondContact O-CG 3.29Å; F187-M191 PolarHBondContact O-N 3.34Å; F188-M191 PolarHBondContact O-N 2.98Å; M189-M191 VanDerWaalsContact C-N 3.34Å; M189-M191 PolarHBondContact O-N 2.97Å; M191-F194 PolarHBondContact O-N 3.36Å; M191-V195 VanDerWaalsContact O-CG2 3.32Å; M191-V195 WeakPolarHBondContact O-CG2 3.35Å; M191-V195 PolarHBondContact O-N 3.4Å |
| 192 | I | 90.8 | Very high | 86 | Confident | 92 Ų | 92 | 64.9 Ų | 64.9 | 47% | 0.472 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.7 | -68.3 | 164 | 0 | 0 | 0 | 110.5 | F188 M189 F194 V195 A196 F286 | F188-I192 VanDerWaalsContact O-CG1 3.26Å; F188-I192 WeakPolarHBondContact O-CG1 3.49Å; F188-I192 PolarHBondContact O-N 3.26Å; M189-I192 PolarHBondContact O-N 2.92Å; I192-F194 VanDerWaalsContact C-N 3.34Å; I192-F194 PolarHBondContact O-N 2.95Å; I192-V195 PolarHBondContact O-N 3.49Å; I192-A196 VanDerWaalsContact O-CB 3.23Å; I192-A196 WeakPolarHBondContact O-CB 3.21Å; I192-A196 PolarHBondContact O-N 3.32Å; I192-F286 HydrophobicContact CB-CZ 4.38Å; I192-F286 HydrophobicContact CD1-CZ 4.4Å; I192-F286 HydrophobicContact CG2-CE2 4.15Å; I192-F286 HydrophobicContact CG2-CZ 3.87Å |
| 193 | L | 90.1 | Very high | 86.2 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.12 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 177 | -73.5 | 170.6 | 0 | 0 | 0 | 111.8 | M189 V190 A196 F197 F248 V256 F282 F286 | M189-L193 WeakPolarHBondContact O-CB 3.44Å; M189-L193 WeakPolarHBondContact O-CG 3.38Å; M189-L193 PolarHBondContact O-N 3.44Å; V190-L193 PolarHBondContact O-N 3.05Å; L193-A196 PolarHBondContact O-N 2.8Å; L193-F197 WeakPolarHBondContact O-CB 3.39Å; L193-F197 PolarHBondContact O-N 2.91Å; L193-F248 HydrophobicContact CD1-CE1 3.77Å; L193-F248 HydrophobicContact CD1-CZ 4.4Å; L193-F248 HydrophobicContact CD2-CD1 3.98Å; L193-F248 HydrophobicContact CD2-CE1 3.71Å; L193-F248 HydrophobicContact CD2-CZ 4.5Å; L193-F248 HydrophobicContact CG-CE1 4.42Å; L193-V256 HydrophobicContact CD1-CG2 4.12Å; L193-F282 HydrophobicContact CD1-CZ 4.1Å; L193-F286 HydrophobicContact CD2-CD2 4.12Å; L193-F286 HydrophobicContact CD2-CE2 4.08Å; L193-F286 HydrophobicContact CG-CD2 4.42Å; L193-F286 HydrophobicContact CG-CE2 4.18Å |
| 194 | F | 90 | Very high | 85.9 | Confident | 118 Ų | 118 | 62.8 Ų | 62.8 | 52% | 0.518 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 178.2 | -175.6 | -110.5 | 0 | 0 | 0 | 111.9 | V190 M191 I192 F197 I198 | V190-F194 VanDerWaalsContact O-CB 3.29Å; V190-F194 WeakPolarHBondContact O-CB 3.47Å; V190-F194 PolarHBondContact O-N 3.49Å; M191-F194 PolarHBondContact O-N 3.36Å; I192-F194 VanDerWaalsContact C-N 3.34Å; I192-F194 PolarHBondContact O-N 2.95Å; F194-F197 PolarHBondContact O-N 3.36Å; F194-I198 HydrophobicContact CD1-CD1 3.71Å; F194-I198 HydrophobicContact CD2-CD1 4.44Å; F194-I198 HydrophobicContact CE1-CD1 3.25Å; F194-I198 HydrophobicContact CE1-CG1 4.42Å; F194-I198 HydrophobicContact CE2-CD1 4.06Å; F194-I198 HydrophobicContact CG-CD1 4.29Å; F194-I198 HydrophobicContact CZ-CD1 3.46Å; F194-I198 VanDerWaalsContact CZ-CD1 3.46Å; F194-I198 HydrophobicContact CZ-CG1 4.36Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.67Å |
| 195 | V | 90.7 | Very high | 85.3 | Confident | 85 Ų | 85 | 59.3 Ų | 59.3 | 52% | 0.515 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.7 | 173 | 0 | 0 | 0 | 0 | 111 | M191 I192 F197 I198 T199 | M191-V195 VanDerWaalsContact O-CG2 3.32Å; M191-V195 WeakPolarHBondContact O-CG2 3.35Å; M191-V195 PolarHBondContact O-N 3.4Å; I192-V195 PolarHBondContact O-N 3.49Å; V195-F197 VanDerWaalsContact C-N 3.28Å; V195-F197 PolarHBondContact O-N 3.49Å; V195-I198 PolarHBondContact O-N 3.45Å; V195-T199 HydrophobicContact CG1-CG2 4.26Å; V195-T199 WeakPolarHBondContact O-CB 3.3Å; V195-T199 VanDerWaalsContact O-CG2 3.24Å; V195-T199 WeakPolarHBondContact O-CG2 3.39Å; V195-T199 PolarHBondContact O-N 2.85Å; V195-T199 PolarHBondContact O-OG1 3.37Å |
| 196 | A | 87.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I192 L193 T199 S200 I245 | I192-A196 VanDerWaalsContact O-CB 3.23Å; I192-A196 WeakPolarHBondContact O-CB 3.21Å; I192-A196 PolarHBondContact O-N 3.32Å; L193-A196 PolarHBondContact O-N 2.8Å; A196-T199 WeakPolarHBondContact CA-OG1 3.28Å; A196-T199 PolarHBondContact O-OG1 2.89Å; A196-S200 WeakPolarHBondContact O-CB 3.47Å; A196-S200 PolarHBondContact O-N 3.49Å; A196-S200 PolarHBondContact O-OG 3.25Å; A196-I245 HydrophobicContact CB-CD1 3.87Å; A196-I245 VanDerWaalsContact O-CD1 3.3Å; A196-I245 WeakPolarHBondContact O-CD1 3.43Å |
| 197 | F | 87 | Confident | 84.2 | Confident | 58 Ų | 58 | 61.8 Ų | 61.8 | 25% | 0.254 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.8 | -45.4 | 176.9 | -177.3 | -107.6 | 0 | 0 | 0 | 112.5 | L193 F194 V195 T199 S200 W201 V204 I245 L249 | L193-F197 WeakPolarHBondContact O-CB 3.39Å; L193-F197 PolarHBondContact O-N 2.91Å; F194-F197 PolarHBondContact O-N 3.36Å; V195-F197 VanDerWaalsContact C-N 3.28Å; V195-F197 PolarHBondContact O-N 3.49Å; F197-T199 PolarHBondContact O-N 3.49Å; F197-S200 CarbonylContact O-C 3.48Å; F197-S200 PolarHBondContact O-N 3.37Å; F197-S200 PolarHBondContact O-OG 2.96Å; F197-W201 HydrophobicContact CD1-CE3 4.03Å; F197-W201 HydrophobicContact CD1-CZ3 4.31Å; F197-W201 AromaticContact CE1-CE3 3.33Å; F197-W201 HydrophobicContact CE1-CE3 3.33Å; F197-W201 AromaticContact CE1-CZ3 3.24Å; F197-W201 HydrophobicContact CE1-CZ3 3.24Å; F197-W201 HydrophobicContact CE2-CE3 4.39Å; F197-W201 HydrophobicContact CE2-CZ3 4.49Å; F197-W201 AromaticContact CZ-CE3 3.54Å; F197-W201 HydrophobicContact CZ-CE3 3.54Å; F197-W201 AromaticContact CZ-CZ3 3.34Å; F197-W201 HydrophobicContact CZ-CZ3 3.34Å; F197-W201 WeakPolarHBondContact O-CA 3.37Å; F197-W201 PolarHBondContact O-N 2.98Å; F197-V204 HydrophobicContact CD2-CG1 4.47Å; F197-V204 HydrophobicContact CE2-CG1 3.9Å; F197-I245 HydrophobicContact CD2-CG2 4.05Å; F197-L249 HydrophobicContact CD2-CD1 4.27Å; F197-L249 HydrophobicContact CE2-CD1 4.45Å |
| 198 | I | 87.6 | Confident | 83.3 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 48% | 0.477 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.3 | -48 | 175.2 | -71.8 | 172.3 | 0 | 0 | 0 | 110.7 | F194 V195 S200 W201 | F194-I198 HydrophobicContact CD1-CD1 3.71Å; F194-I198 HydrophobicContact CD2-CD1 4.44Å; F194-I198 HydrophobicContact CE1-CD1 3.25Å; F194-I198 HydrophobicContact CE1-CG1 4.42Å; F194-I198 HydrophobicContact CE2-CD1 4.06Å; F194-I198 HydrophobicContact CG-CD1 4.29Å; F194-I198 HydrophobicContact CZ-CD1 3.46Å; F194-I198 VanDerWaalsContact CZ-CD1 3.46Å; F194-I198 HydrophobicContact CZ-CG1 4.36Å; F194-I198 WeakPolarHBondContact O-CG1 3.45Å; F194-I198 PolarHBondContact O-N 2.67Å; V195-I198 PolarHBondContact O-N 3.45Å; I198-S200 PolarHBondContact O-N 3.26Å; I198-W201 VanDerWaalsContact O-CB 3.31Å; I198-W201 WeakPolarHBondContact O-CB 3.36Å; I198-W201 PolarHBondContact O-N 2.83Å |
| 199 | T | 85.3 | Confident | 82.1 | Confident | 79 Ų | 79 | 65 Ų | 65 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.8 | -26.3 | -177.4 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | V195 A196 F197 K238 | V195-T199 HydrophobicContact CG1-CG2 4.26Å; V195-T199 WeakPolarHBondContact O-CB 3.3Å; V195-T199 VanDerWaalsContact O-CG2 3.24Å; V195-T199 WeakPolarHBondContact O-CG2 3.39Å; V195-T199 PolarHBondContact O-N 2.85Å; V195-T199 PolarHBondContact O-OG1 3.37Å; A196-T199 WeakPolarHBondContact CA-OG1 3.28Å; A196-T199 PolarHBondContact O-OG1 2.89Å; F197-T199 PolarHBondContact O-N 3.49Å; T199-K238 WeakPolarHBondContact O-CE 3.15Å |
| 200 | S | 82.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 8.1 | 177.8 | 62.3 | 0 | 0 | 0 | 0 | 114 | A196 F197 I198 E202 E203 V204 I245 | A196-S200 WeakPolarHBondContact O-CB 3.47Å; A196-S200 PolarHBondContact O-N 3.49Å; A196-S200 PolarHBondContact O-OG 3.25Å; F197-S200 CarbonylContact O-C 3.48Å; F197-S200 PolarHBondContact O-N 3.37Å; F197-S200 PolarHBondContact O-OG 2.96Å; I198-S200 PolarHBondContact O-N 3.26Å; S200-E202 PolarHBondContact O-N 2.78Å; S200-E203 PolarHBondContact O-N 2.87Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.25Å; S200-V204 WeakPolarHBondContact OG-CG2 3.46Å; S200-I245 WeakPolarHBondContact OG-CD1 3.39Å |
| 201 | W | 83.4 | Confident | 79.5 | Confident | 139 Ų | 139 | 67 Ų | 67 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -52.4 | -48.8 | -168.6 | 174.2 | -96.2 | 0 | 0 | 0 | 114.1 | F197 I198 E203 V204 T205 | F197-W201 HydrophobicContact CD1-CE3 4.03Å; F197-W201 HydrophobicContact CD1-CZ3 4.31Å; F197-W201 AromaticContact CE1-CE3 3.33Å; F197-W201 HydrophobicContact CE1-CE3 3.33Å; F197-W201 AromaticContact CE1-CZ3 3.24Å; F197-W201 HydrophobicContact CE1-CZ3 3.24Å; F197-W201 HydrophobicContact CE2-CE3 4.39Å; F197-W201 HydrophobicContact CE2-CZ3 4.49Å; F197-W201 AromaticContact CZ-CE3 3.54Å; F197-W201 HydrophobicContact CZ-CE3 3.54Å; F197-W201 AromaticContact CZ-CZ3 3.34Å; F197-W201 HydrophobicContact CZ-CZ3 3.34Å; F197-W201 WeakPolarHBondContact O-CA 3.37Å; F197-W201 PolarHBondContact O-N 2.98Å; I198-W201 VanDerWaalsContact O-CB 3.31Å; I198-W201 WeakPolarHBondContact O-CB 3.36Å; I198-W201 PolarHBondContact O-N 2.83Å; W201-E203 VanDerWaalsContact C-N 3.33Å; W201-E203 PolarHBondContact O-N 2.95Å; W201-V204 PolarHBondContact O-N 3.36Å; W201-T205 HydrophobicContact CD2-CG2 3.98Å; W201-T205 HydrophobicContact CG-CG2 4.38Å; W201-T205 HydrophobicContact CH2-CG2 4.42Å; W201-T205 HydrophobicContact CZ2-CG2 3.88Å; W201-T205 WeakPolarHBondContact O-CG2 3.28Å; W201-T205 PolarHBondContact O-N 3.46Å; W201-T205 PolarHBondContact O-OG1 3.4Å; W201-T205 VanDerWaalsContact O-OG1 3.1Å |
| 202 | E | 79.4 | Confident | 77.8 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.5 | -39.1 | 179.8 | -63.4 | 173.6 | 156.1 | 0 | 0 | 113 | S200 T205 T206 K238 | S200-E202 PolarHBondContact O-N 2.78Å; E202-T205 PolarHBondContact O-OG1 2.9Å; E202-T205 VanDerWaalsContact O-OG1 3.09Å; E202-T206 WeakPolarHBondContact O-CB 3.45Å; E202-T206 VanDerWaalsContact O-CG2 3.23Å; E202-T206 WeakPolarHBondContact O-CG2 3.3Å; E202-T206 PolarHBondContact O-N 3.29Å; E202-T206 PolarHBondContact O-OG1 3Å; E202-K238 IonicContact OE2-NZ 2.78Å |
| 203 | E | 78.4 | Confident | 75.9 | Confident | 44 Ų | 44 | 74 Ų | 74 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -75.3 | -36 | 178.5 | -62 | -70.4 | 172.3 | 0 | 0 | 109.9 | S200 W201 T206 L207 K238 | S200-E203 PolarHBondContact O-N 2.87Å; W201-E203 VanDerWaalsContact C-N 3.33Å; W201-E203 PolarHBondContact O-N 2.95Å; E203-T206 WeakPolarHBondContact CA-OG1 3.33Å; E203-T206 PolarHBondContact O-OG1 2.77Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.46Å; E203-K238 HydrophobicContact CG-CD 4.27Å; E203-K238 HydrophobicContact CG-CG 4.31Å |
| 204 | V | 74.8 | Confident | 73.7 | Confident | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | F197 S200 W201 L207 V208 V246 | F197-V204 HydrophobicContact CD2-CG1 4.47Å; F197-V204 HydrophobicContact CE2-CG1 3.9Å; S200-V204 WeakPolarHBondContact O-CG2 3.43Å; S200-V204 PolarHBondContact O-N 3.25Å; S200-V204 WeakPolarHBondContact OG-CG2 3.46Å; W201-V204 PolarHBondContact O-N 3.36Å; V204-L207 PolarHBondContact O-N 3.39Å; V204-V208 HydrophobicContact CG1-CG2 4.18Å; V204-V208 WeakPolarHBondContact O-CB 3.28Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.29Å; V204-V246 HydrophobicContact CG1-CG2 3.97Å |
| 205 | T | 74.5 | Confident | 71.3 | Confident | 42 Ų | 42 | 75 Ų | 75 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 179.6 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | W201 E202 V208 Q209 | W201-T205 HydrophobicContact CD2-CG2 3.98Å; W201-T205 HydrophobicContact CG-CG2 4.38Å; W201-T205 HydrophobicContact CH2-CG2 4.42Å; W201-T205 HydrophobicContact CZ2-CG2 3.88Å; W201-T205 WeakPolarHBondContact O-CG2 3.28Å; W201-T205 PolarHBondContact O-N 3.46Å; W201-T205 PolarHBondContact O-OG1 3.4Å; W201-T205 VanDerWaalsContact O-OG1 3.1Å; E202-T205 PolarHBondContact O-OG1 2.9Å; E202-T205 VanDerWaalsContact O-OG1 3.09Å; T205-V208 PolarHBondContact O-N 3.04Å; T205-Q209 VanDerWaalsContact O-CB 3.3Å; T205-Q209 WeakPolarHBondContact O-CB 3.39Å; T205-Q209 WeakPolarHBondContact O-CG 3.37Å; T205-Q209 PolarHBondContact O-N 3.22Å |
| 206 | T | 71.4 | Confident | 68.9 | Low | 71 Ų | 71 | 78.1 Ų | 78.1 | 44% | 0.436 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 174.5 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | E202 E203 Q209 A210 | E202-T206 WeakPolarHBondContact O-CB 3.45Å; E202-T206 VanDerWaalsContact O-CG2 3.23Å; E202-T206 WeakPolarHBondContact O-CG2 3.3Å; E202-T206 PolarHBondContact O-N 3.29Å; E202-T206 PolarHBondContact O-OG1 3Å; E203-T206 WeakPolarHBondContact CA-OG1 3.33Å; E203-T206 PolarHBondContact O-OG1 2.77Å; T206-Q209 PolarHBondContact O-N 3.37Å; T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.05Å |
| 207 | L | 69.4 | Low | 66.4 | Low | 15 Ų | 15 | 85 Ų | 85 | 8% | 0.079 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.3 | -47.1 | 177.1 | -167.6 | 73.7 | 0 | 0 | 0 | 111.3 | E203 V204 A210 V211 F224 K243 V246 | E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.46Å; V204-L207 PolarHBondContact O-N 3.39Å; L207-A210 CarbonylContact O-C 3.51Å; L207-A210 PolarHBondContact O-N 3.37Å; L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 2.94Å; L207-F224 HydrophobicContact CD1-CB 3.74Å; L207-F224 HydrophobicContact CD1-CD1 3.15Å; L207-F224 HydrophobicContact CD1-CE1 3.85Å; L207-F224 HydrophobicContact CD1-CG 3.63Å; L207-F224 HydrophobicContact CD2-CD1 3.88Å; L207-F224 HydrophobicContact CD2-CE1 3.66Å; L207-F224 HydrophobicContact CD2-CZ 4.26Å; L207-F224 HydrophobicContact CG-CD1 3.26Å; L207-F224 HydrophobicContact CG-CE1 3.41Å; L207-F224 VanDerWaalsContact CG-CE1 3.41Å; L207-F224 HydrophobicContact CG-CG 4.17Å; L207-F224 HydrophobicContact CG-CZ 4.43Å; L207-K243 HydrophobicContact CD2-CG 4.28Å; L207-V246 HydrophobicContact CD2-CB 4.26Å; L207-V246 HydrophobicContact CD2-CG2 3.93Å |
| 208 | V | 69.1 | Low | 64.4 | Low | 83 Ų | 83 | 90.5 Ų | 90.5 | 50% | 0.503 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | V204 T205 A210 V211 V246 | V204-V208 HydrophobicContact CG1-CG2 4.18Å; V204-V208 WeakPolarHBondContact O-CB 3.28Å; V204-V208 WeakPolarHBondContact O-CG2 3.46Å; V204-V208 PolarHBondContact O-N 3.29Å; T205-V208 PolarHBondContact O-N 3.04Å; V208-A210 VanDerWaalsContact C-N 3.29Å; V208-A210 PolarHBondContact O-N 2.92Å; V208-V211 WeakPolarHBondContact O-CB 3.29Å; V208-V211 PolarHBondContact O-N 3.29Å; V208-V246 HydrophobicContact CG2-CG2 4.27Å |
| 209 | Q | 65.9 | Low | 62.1 | Low | 161 Ų | 161 | 92.9 Ų | 92.9 | 75% | 0.752 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.5 | -31.8 | 175.3 | -73.9 | 173.9 | -6.2 | 0 | 0 | 112.3 | T205 T206 V211 | T205-Q209 VanDerWaalsContact O-CB 3.3Å; T205-Q209 WeakPolarHBondContact O-CB 3.39Å; T205-Q209 WeakPolarHBondContact O-CG 3.37Å; T205-Q209 PolarHBondContact O-N 3.22Å; T206-Q209 PolarHBondContact O-N 3.37Å; Q209-V211 VanDerWaalsContact C-N 3.34Å |
| 210 | A | 61.1 | Low | 60.1 | Low | 34 Ų | 34 | 94.9 Ų | 94.9 | 28% | 0.281 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -83.9 | -8.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T206 L207 V208 R212 P225 | T206-A210 WeakPolarHBondContact O-CB 3.33Å; T206-A210 PolarHBondContact O-N 3.05Å; L207-A210 CarbonylContact O-C 3.51Å; L207-A210 PolarHBondContact O-N 3.37Å; V208-A210 VanDerWaalsContact C-N 3.29Å; V208-A210 PolarHBondContact O-N 2.92Å; A210-R212 PolarHBondContact O-N 3.5Å; A210-P225 HydrophobicContact CB-CG 3.77Å; A210-P225 WeakPolarHBondContact O-CD 3.29Å |
| 211 | V | 59.6 | Low | 58.3 | Low | 36 Ų | 36 | 97.2 Ų | 97.2 | 22% | 0.218 | 49% | 0.494 | C | S | . | . | trans | -59.8 | 107.6 | 172.7 | 171 | 0 | 0 | 0 | 0 | 108.3 | L207 V208 Q209 L222 Y223 F224 | L207-V211 VanDerWaalsContact O-CG2 3.3Å; L207-V211 WeakPolarHBondContact O-CG2 3.48Å; L207-V211 PolarHBondContact O-N 2.94Å; V208-V211 WeakPolarHBondContact O-CB 3.29Å; V208-V211 PolarHBondContact O-N 3.29Å; Q209-V211 VanDerWaalsContact C-N 3.34Å; V211-L222 HydrophobicContact CG1-CD2 3.37Å; V211-L222 HydrophobicContact CG2-CD2 4.47Å; V211-Y223 WeakPolarHBondContact CA-O 3.42Å; V211-F224 HydrophobicContact CG2-CD1 3.87Å; V211-F224 HydrophobicContact CG2-CE1 3.4Å; V211-F224 HydrophobicContact CG2-CZ 4.29Å | ||
| 212 | R | 55.2 | Low | 56.5 | Low | 181 Ų | 181 | 94.3 Ų | 94.3 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 125.3 | 160.8 | -66.5 | -172.4 | 179 | -169.6 | 0.3 | 107.3 | A210 T214 Y223 | A210-R212 PolarHBondContact O-N 3.5Å; R212-T214 HydrophobicContact CB-CG2 4.11Å; R212-T214 PolarHBondContact O-N 3.32Å; R212-T214 VanDerWaalsContact O-N 3.15Å; R212-Y223 HydrophobicContact CB-CD1 4.15Å; R212-Y223 WeakPolarHBondContact O-CB 3.39Å; R212-Y223 PolarHBondContact O-N 2.94Å |
| 213 | I | 51.2 | Low | 55 | Low | 140 Ų | 140 | 91.8 Ų | 91.8 | 72% | 0.718 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 105.7 | 168.3 | -61.3 | 170 | 0 | 0 | 0 | 105.7 | ||
| 214 | T | 44.8 | Very low | 53.8 | Low | 59 Ų | 59 | 90.7 Ų | 90.7 | 36% | 0.362 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131 | 174.6 | 56.6 | 0 | 0 | 0 | 0 | 109 | R212 I221 | R212-T214 HydrophobicContact CB-CG2 4.11Å; R212-T214 PolarHBondContact O-N 3.32Å; R212-T214 VanDerWaalsContact O-N 3.15Å; T214-I221 PolarHBondContact N-O 2.97Å; T214-I221 PolarHBondContact O-N 3.46Å; T214-I221 VanDerWaalsContact O-N 3.11Å |
| 215 | S | 39 | Very low | 52.2 | Low | 103 Ų | 103 | 92.9 Ų | 92.9 | 72% | 0.72 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.7 | 172.6 | 60.5 | 0 | 0 | 0 | 0 | 108.7 | ||
| 216 | Y | 40.4 | Very low | 51.2 | Low | 149 Ų | 149 | 95.8 Ų | 95.8 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.6 | 173.4 | -173.2 | -98.4 | 0 | 0 | 0 | 108.5 | N218 E219 I221 | Y216-N218 PolarHBondContact O-N 2.95Å; Y216-E219 PolarHBondContact N-O 3.07Å; Y216-E219 PolarHBondContact O-N 3.25Å; Y216-I221 HydrophobicContact CD1-CD1 4.12Å; Y216-I221 HydrophobicContact CG-CD1 4.35Å |
| 217 | M | 35.3 | Very low | 49.6 | Very low | 163 Ų | 163 | 97.6 Ų | 97.6 | 80% | 0.803 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 49 | -178.9 | -57.3 | -133.7 | 108.3 | 0 | 0 | 114.6 | E219 | M217-E219 PolarHBondContact O-N 3.31Å; M217-E219 VanDerWaalsContact O-N 3.16Å |
| 218 | N | 43.7 | Very low | 48 | Very low | 173 Ų | 173 | 102 Ų | 102 | 93% | 0.925 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 8.6 | -177.5 | -64.7 | -18 | 0 | 0 | 0 | 116.2 | Y216 | Y216-N218 PolarHBondContact O-N 2.95Š|
| 219 | E | 41 | Very low | 46.5 | Very low | 142 Ų | 142 | 105.2 Ų | 105.2 | 66% | 0.664 | 55% | 0.548 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.9 | 168 | -68.1 | -170 | 169.5 | 0 | 0 | 110.7 | Y216 M217 I221 | Y216-E219 PolarHBondContact N-O 3.07Å; Y216-E219 PolarHBondContact O-N 3.25Å; M217-E219 PolarHBondContact O-N 3.31Å; M217-E219 VanDerWaalsContact O-N 3.16Å; E219-I221 PolarHBondContact O-N 3.42Å |
| 220 | T | 42.1 | Very low | 45.3 | Very low | 122 Ų | 122 | 100.3 Ų | 100.3 | 75% | 0.748 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 110.8 | 173.8 | 52.1 | 0 | 0 | 0 | 0 | 109 | ||
| 221 | I | 43.8 | Very low | 44 | Very low | 49 Ų | 49 | 104.9 Ų | 104.9 | 25% | 0.251 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.1 | 133 | 178.6 | -52.9 | -174.6 | 0 | 0 | 0 | 108.5 | T214 Y216 E219 Y223 | T214-I221 PolarHBondContact N-O 2.97Å; T214-I221 PolarHBondContact O-N 3.46Å; T214-I221 VanDerWaalsContact O-N 3.11Å; Y216-I221 HydrophobicContact CD1-CD1 4.12Å; Y216-I221 HydrophobicContact CG-CD1 4.35Å; E219-I221 PolarHBondContact O-N 3.42Å; I221-Y223 PolarHBondContact O-N 3.3Å |
| 222 | L | 47 | Very low | 43.6 | Very low | 77 Ų | 77 | 112 Ų | 112 | 40% | 0.403 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.5 | 111.4 | 172.1 | -70.9 | 163.5 | 0 | 0 | 0 | 108.5 | V211 F224 | V211-L222 HydrophobicContact CG1-CD2 3.37Å; V211-L222 HydrophobicContact CG2-CD2 4.47Å; L222-F224 HydrophobicContact CB-CE2 4.21Å; L222-F224 HydrophobicContact CB-CZ 4.16Å |
| 223 | Y | 48.3 | Very low | 43.4 | Very low | 76 Ų | 76 | 108.4 Ų | 108.4 | 30% | 0.298 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.4 | 131.4 | 178.6 | 175.5 | -104.5 | 0 | 0 | 0 | 111.1 | V211 R212 I221 P225 I323 | V211-Y223 WeakPolarHBondContact CA-O 3.42Å; R212-Y223 HydrophobicContact CB-CD1 4.15Å; R212-Y223 WeakPolarHBondContact O-CB 3.39Å; R212-Y223 PolarHBondContact O-N 2.94Å; I221-Y223 PolarHBondContact O-N 3.3Å; Y223-P225 HydrophobicContact CD1-CB 4.47Å; Y223-P225 HydrophobicContact CD1-CG 4.28Å; Y223-P225 HydrophobicContact CE1-CB 3.55Å; Y223-P225 HydrophobicContact CE1-CG 3.75Å; Y223-I323 HydrophobicContact CE2-CD1 4.12Å |
| 224 | F | 51.5 | Low | 43.3 | Very low | 20 Ų | 20 | 107.4 Ų | 107.4 | 9% | 0.088 | 57% | 0.574 | C | S | . | * | trans | -121.9 | 102.7 | 174.9 | -59.5 | -65.9 | 0 | 0 | 0 | 109.3 | L207 V211 L222 F226 V246 | L207-F224 HydrophobicContact CD1-CB 3.74Å; L207-F224 HydrophobicContact CD1-CD1 3.15Å; L207-F224 HydrophobicContact CD1-CE1 3.85Å; L207-F224 HydrophobicContact CD1-CG 3.63Å; L207-F224 HydrophobicContact CD2-CD1 3.88Å; L207-F224 HydrophobicContact CD2-CE1 3.66Å; L207-F224 HydrophobicContact CD2-CZ 4.26Å; L207-F224 HydrophobicContact CG-CD1 3.26Å; L207-F224 HydrophobicContact CG-CE1 3.41Å; L207-F224 VanDerWaalsContact CG-CE1 3.41Å; L207-F224 HydrophobicContact CG-CG 4.17Å; L207-F224 HydrophobicContact CG-CZ 4.43Å; V211-F224 HydrophobicContact CG2-CD1 3.87Å; V211-F224 HydrophobicContact CG2-CE1 3.4Å; V211-F224 HydrophobicContact CG2-CZ 4.29Å; L222-F224 HydrophobicContact CB-CE2 4.21Å; L222-F224 HydrophobicContact CB-CZ 4.16Å; F224-F226 HydrophobicContact CB-CE2 4.38Å; F224-F226 HydrophobicContact CB-CZ 4.03Å; F224-F226 VanDerWaalsContact O-CE2 3.29Å; F224-F226 WeakPolarHBondContact O-CE2 3.36Å; F224-V246 HydrophobicContact CE1-CG1 4.28Å; F224-V246 HydrophobicContact CZ-CG1 3.97Å | ||
| 225 | P | 43 | Very low | 43.7 | Very low | 55 Ų | 55 | 111.5 Ų | 111.5 | 36% | 0.357 | 58% | 0.583 | S | S | . | * | trans | -72.3 | 134.6 | 177 | 25.1 | -26.8 | 0 | 0 | 0 | 110.5 | A210 Y223 | A210-P225 HydrophobicContact CB-CG 3.77Å; A210-P225 WeakPolarHBondContact O-CD 3.29Å; Y223-P225 HydrophobicContact CD1-CB 4.47Å; Y223-P225 HydrophobicContact CD1-CG 4.28Å; Y223-P225 HydrophobicContact CE1-CB 3.55Å; Y223-P225 HydrophobicContact CE1-CG 3.75Å | ||
| 226 | F | 52.5 | Low | 45 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 45% | 0.447 | 57% | 0.568 | S | S | . | * | trans | -104.3 | 139.2 | 176.8 | -66.5 | -70.2 | 0 | 0 | 0 | 111.8 | F224 K243 | F224-F226 HydrophobicContact CB-CE2 4.38Å; F224-F226 HydrophobicContact CB-CZ 4.03Å; F224-F226 VanDerWaalsContact O-CE2 3.29Å; F224-F226 WeakPolarHBondContact O-CE2 3.36Å; F226-K243 VanDerWaalsContact CE1-NZ 3.27Å; F226-K243 HydrophobicContact CZ-CD 4.43Å | ||
| 227 | S | 37.8 | Very low | 46.6 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 76% | 0.762 | 56% | 0.557 | S | S | * | * | trans | -86.3 | 123.8 | 158.6 | 88.9 | 0 | 0 | 0 | 0 | 109.1 | H229 | S227-H229 PolarHBondContact O-N 3.39Å; S227-H229 VanDerWaalsContact O-N 3.08Å | ||
| 228 | S | 36.4 | Very low | 48.4 | Very low | 107 Ų | 107 | 102 Ų | 102 | 75% | 0.748 | 53% | 0.534 | S | S | * | . | trans | -79.3 | 75.7 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 229 | H | 36.1 | Very low | 50 | Low | 151 Ų | 151 | 96 Ų | 96 | 70% | 0.699 | 50% | 0.502 | S | S | * | . | trans | -135.2 | 109.3 | 167.8 | -83.6 | -58.5 | 0 | 0 | 0 | 114.7 | S227 | S227-H229 PolarHBondContact O-N 3.39Å; S227-H229 VanDerWaalsContact O-N 3.08Å | ||
| 230 | S | 41.3 | Very low | 51.8 | Low | 59 Ų | 59 | 90.3 Ų | 90.3 | 41% | 0.413 | 48% | 0.475 | S | S | . | . | trans | -33.5 | 117.7 | 162.1 | 52 | 0 | 0 | 0 | 0 | 116.2 | Y232 | S230-Y232 VanDerWaalsContact CA-CE2 3.5Š| ||
| 231 | N | 34 | Very low | 53.8 | Low | 129 Ų | 129 | 85.8 Ų | 85.8 | 69% | 0.69 | 45% | 0.446 | S | S | * | . | trans | -169.4 | 101.5 | 137.5 | -90.8 | -18.3 | 0 | 0 | 0 | 107.8 | ||||
| 232 | Y | 50.8 | Low | 55.5 | Low | 186 Ų | 186 | 83.5 Ų | 83.5 | 73% | 0.729 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | -95.9 | -10.7 | -115.7 | -99.4 | -83.6 | 0 | 0 | 0 | 118.7 | S230 S236 | S230-Y232 VanDerWaalsContact CA-CE2 3.5Å; Y232-S236 VanDerWaalsContact O-CB 3.31Å; Y232-S236 WeakPolarHBondContact O-CB 3.39Å; Y232-S236 PolarHBondContact O-OG 2.96Å | |
| 233 | T | 50.5 | Low | 57 | Low | 105 Ų | 105 | 81.1 Ų | 81.1 | 64% | 0.644 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | -46 | -171.7 | 53 | 0 | 0 | 0 | 0 | 115.6 | S236 K237 | T233-S236 WeakPolarHBondContact CA-OG 3.45Å; T233-S236 PolarHBondContact O-OG 3.05Å; T233-K237 WeakPolarHBondContact O-CB 3.35Å; T233-K237 PolarHBondContact O-N 3.43Å; T233-K237 VanDerWaalsContact O-N 3.13Å |
| 234 | V | 49.8 | Very low | 58.7 | Low | 119 Ų | 119 | 77.8 Ų | 77.8 | 72% | 0.721 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -77.3 | -40.9 | -179.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | K237 K238 | V234-K237 WeakPolarHBondContact O-CB 3.32Å; V234-K237 PolarHBondContact O-N 3.43Å; V234-K238 PolarHBondContact O-N 2.78Å |
| 235 | R | 54.1 | Low | 60.4 | Low | 146 Ų | 146 | 77.3 Ų | 77.3 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67.7 | -37.7 | 175.3 | -154.5 | 178.2 | -154 | 170 | 8.8 | 111.5 | K238 I239 | R235-K238 PolarHBondContact O-N 3.04Å; R235-I239 HydrophobicContact CG-CD1 4.03Å; R235-I239 WeakPolarHBondContact O-CB 3.45Å; R235-I239 WeakPolarHBondContact O-CD1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.42Å; R235-I239 PolarHBondContact O-N 3.43Å |
| 236 | S | 65.6 | Low | 62.3 | Low | 56 Ų | 56 | 75.7 Ų | 75.7 | 39% | 0.392 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 176.8 | 69.3 | 0 | 0 | 0 | 0 | 112.5 | Y232 T233 F240 | Y232-S236 VanDerWaalsContact O-CB 3.31Å; Y232-S236 WeakPolarHBondContact O-CB 3.39Å; Y232-S236 PolarHBondContact O-OG 2.96Å; T233-S236 WeakPolarHBondContact CA-OG 3.45Å; T233-S236 PolarHBondContact O-OG 3.05Å; S236-F240 WeakPolarHBondContact O-CB 3.26Å; S236-F240 PolarHBondContact O-N 3.18Å |
| 237 | K | 73.7 | Confident | 63.7 | Low | 85 Ų | 85 | 71.4 Ų | 71.4 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.8 | -65.9 | 165.5 | -90.1 | -173.3 | 179.5 | -174.2 | 0 | 109.8 | T233 V234 I239 F240 L241 W293 C296 | T233-K237 WeakPolarHBondContact O-CB 3.35Å; T233-K237 PolarHBondContact O-N 3.43Å; T233-K237 VanDerWaalsContact O-N 3.13Å; V234-K237 WeakPolarHBondContact O-CB 3.32Å; V234-K237 PolarHBondContact O-N 3.43Å; K237-I239 PolarHBondContact O-N 3.32Å; K237-F240 WeakPolarHBondContact O-CA 3.27Å; K237-F240 PolarHBondContact O-N 3.29Å; K237-L241 PolarHBondContact O-N 3Å; K237-W293 HydrophobicContact CB-CH2 3.4Å; K237-W293 HydrophobicContact CB-CZ2 4.27Å; K237-W293 HydrophobicContact CB-CZ3 3.77Å; K237-W293 HydrophobicContact CD-CH2 4.46Å; K237-W293 HydrophobicContact CG-CH2 3.94Å; K237-W293 HydrophobicContact CG-CZ3 4.03Å; K237-W293 WeakPolarHBondContact O-CH2 3.48Å; K237-W293 WeakPolarHBondContact O-CZ3 3.12Å; K237-C296 WeakPolarHBondContact CE-SG 3.41Å; K237-C296 WeakPolarHBondContact CG-SG 3.39Å |
| 238 | K | 74.1 | Confident | 66.1 | Low | 73 Ų | 73 | 66.4 Ų | 66.4 | 32% | 0.317 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -50.7 | -42.5 | -175.5 | -168.6 | -176.3 | 177.4 | -172.2 | 0 | 113.3 | T199 E202 E203 V234 R235 L241 S242 | T199-K238 WeakPolarHBondContact O-CE 3.15Å; E202-K238 IonicContact OE2-NZ 2.78Å; E203-K238 HydrophobicContact CG-CD 4.27Å; E203-K238 HydrophobicContact CG-CG 4.31Å; V234-K238 PolarHBondContact O-N 2.78Å; R235-K238 PolarHBondContact O-N 3.04Å; K238-L241 PolarHBondContact O-N 3Å; K238-S242 PolarHBondContact O-N 3.31Å; K238-S242 VanDerWaalsContact O-N 3.12Å |
| 239 | I | 75.9 | Confident | 68.5 | Low | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -46 | 174.9 | -67.2 | 165.2 | 0 | 0 | 0 | 111.4 | R235 K237 L241 S242 K243 | R235-I239 HydrophobicContact CG-CD1 4.03Å; R235-I239 WeakPolarHBondContact O-CB 3.45Å; R235-I239 WeakPolarHBondContact O-CD1 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.42Å; R235-I239 PolarHBondContact O-N 3.43Å; K237-I239 PolarHBondContact O-N 3.32Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3Å; I239-S242 PolarHBondContact O-N 2.98Å; I239-S242 PolarHBondContact O-OG 3.32Å; I239-K243 PolarHBondContact O-N 2.88Å |
| 240 | F | 79.7 | Confident | 70.7 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 10% | 0.101 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 177.9 | -176.7 | -115.8 | 0 | 0 | 0 | 112.8 | S236 K237 S242 K243 L244 Y292 W293 C296 L299 F318 | S236-F240 WeakPolarHBondContact O-CB 3.26Å; S236-F240 PolarHBondContact O-N 3.18Å; K237-F240 WeakPolarHBondContact O-CA 3.27Å; K237-F240 PolarHBondContact O-N 3.29Å; F240-S242 PolarHBondContact O-N 3.14Å; F240-K243 PolarHBondContact O-N 2.97Å; F240-L244 HydrophobicContact CD1-CD1 3.97Å; F240-L244 HydrophobicContact CD1-CG 4.44Å; F240-L244 HydrophobicContact CE1-CD1 3.5Å; F240-L244 HydrophobicContact CE1-CD2 4.39Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CE2-CD2 4.33Å; F240-L244 HydrophobicContact CE2-CG 4.31Å; F240-L244 HydrophobicContact CZ-CD1 3.88Å; F240-L244 HydrophobicContact CZ-CD2 3.89Å; F240-L244 HydrophobicContact CZ-CG 3.93Å; F240-L244 WeakPolarHBondContact O-CG 2.92Å; F240-L244 PolarHBondContact O-N 2.87Å; F240-Y292 WeakPolarHBondContact CE1-O 3.49Å; F240-W293 HydrophobicContact CB-CZ3 4.39Å; F240-W293 AromaticContact CD1-CE3 3.94Å; F240-W293 HydrophobicContact CD1-CE3 3.94Å; F240-W293 HydrophobicContact CD1-CZ3 4.26Å; F240-C296 HydrophobicContact CD1-CB 3.76Å; F240-C296 HydrophobicContact CE1-CB 4.07Å; F240-L299 HydrophobicContact CE1-CD1 4.26Å; F240-L299 HydrophobicContact CZ-CD1 4.06Å; F240-F318 HydrophobicContact CD2-CE1 4.48Å; F240-F318 HydrophobicContact CE1-CE1 4.47Å; F240-F318 AromaticContact CE2-CD1 3.8Å; F240-F318 HydrophobicContact CE2-CD1 3.8Å; F240-F318 AromaticContact CE2-CE1 3.26Å; F240-F318 HydrophobicContact CE2-CE1 3.26Å; F240-F318 AromaticContact CE2-CZ 3.8Å; F240-F318 HydrophobicContact CE2-CZ 3.8Å; F240-F318 HydrophobicContact CZ-CD1 4.25Å; F240-F318 AromaticContact CZ-CE1 3.26Å; F240-F318 HydrophobicContact CZ-CE1 3.26Å; F240-F318 AromaticContact CZ-CZ 3.51Å; F240-F318 HydrophobicContact CZ-CZ 3.51Å |
| 241 | L | 83 | Confident | 72.9 | Confident | 27 Ų | 27 | 59.1 Ų | 59.1 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 173.3 | -176.1 | 59.4 | 0 | 0 | 0 | 111.7 | K237 K238 I239 K243 L244 I245 W293 | K237-L241 PolarHBondContact O-N 3Å; K238-L241 PolarHBondContact O-N 3Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3Å; L241-K243 VanDerWaalsContact C-N 3.29Å; L241-K243 PolarHBondContact O-N 3.33Å; L241-L244 PolarHBondContact O-N 3.3Å; L241-L244 VanDerWaalsContact O-N 3.17Å; L241-I245 HydrophobicContact CD1-CD1 4.11Å; L241-I245 HydrophobicContact CD1-CG1 4.31Å; L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.76Å; L241-I245 HydrophobicContact CG-CG1 4.41Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.3Å; L241-I245 PolarHBondContact O-N 3.05Å; L241-W293 HydrophobicContact CB-CD2 4.31Å; L241-W293 HydrophobicContact CB-CE3 3.79Å; L241-W293 HydrophobicContact CB-CH2 3.55Å; L241-W293 HydrophobicContact CB-CZ2 4.1Å; L241-W293 HydrophobicContact CB-CZ3 3.47Å; L241-W293 VanDerWaalsContact CB-CZ3 3.47Å; L241-W293 HydrophobicContact CD1-CD2 4.01Å; L241-W293 HydrophobicContact CD1-CE3 4.19Å; L241-W293 HydrophobicContact CD1-CG 4.35Å; L241-W293 HydrophobicContact CD2-CH2 4.22Å; L241-W293 HydrophobicContact CD2-CZ2 3.98Å; L241-W293 HydrophobicContact CG-CH2 4.38Å; L241-W293 HydrophobicContact CG-CZ2 4.46Å; L241-W293 HydrophobicContact CG-CZ3 4.49Å |
| 242 | S | 81 | Confident | 75.6 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 178 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | K238 I239 F240 I245 V246 | K238-S242 PolarHBondContact O-N 3.31Å; K238-S242 VanDerWaalsContact O-N 3.12Å; I239-S242 PolarHBondContact O-N 2.98Å; I239-S242 PolarHBondContact O-OG 3.32Å; F240-S242 PolarHBondContact O-N 3.14Å; S242-I245 PolarHBondContact O-N 3.43Å; S242-V246 WeakPolarHBondContact O-CG2 3.23Å; S242-V246 PolarHBondContact O-N 3.49Å |
| 243 | K | 78.1 | Confident | 77.4 | Confident | 27 Ų | 27 | 49.1 Ų | 49.1 | 12% | 0.117 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 174.9 | -63.3 | -179.1 | -173.2 | -173.2 | 0 | 111.6 | L207 F226 I239 F240 L241 I245 V246 C247 C317 | L207-K243 HydrophobicContact CD2-CG 4.28Å; F226-K243 VanDerWaalsContact CE1-NZ 3.27Å; F226-K243 HydrophobicContact CZ-CD 4.43Å; I239-K243 PolarHBondContact O-N 2.88Å; F240-K243 PolarHBondContact O-N 2.97Å; L241-K243 VanDerWaalsContact C-N 3.29Å; L241-K243 PolarHBondContact O-N 3.33Å; K243-I245 VanDerWaalsContact C-N 3.29Å; K243-I245 PolarHBondContact O-N 2.86Å; K243-V246 PolarHBondContact O-N 2.93Å; K243-C247 VanDerWaalsContact O-CB 3.28Å; K243-C247 WeakPolarHBondContact O-CB 3.47Å; K243-C247 PolarHBondContact O-N 2.72Å; K243-C247 PolarHBondContact O-SG 3.46Å; K243-C317 HydrophobicContact CB-CB 4.05Å; K243-C317 WeakPolarHBondContact CD-O 3.33Å |
| 244 | L | 83.9 | Confident | 79.3 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 177.7 | -70.7 | 177 | 0 | 0 | 0 | 111.3 | F240 L241 F248 A289 Y292 W293 W314 | F240-L244 HydrophobicContact CD1-CD1 3.97Å; F240-L244 HydrophobicContact CD1-CG 4.44Å; F240-L244 HydrophobicContact CE1-CD1 3.5Å; F240-L244 HydrophobicContact CE1-CD2 4.39Å; F240-L244 HydrophobicContact CE1-CG 4.02Å; F240-L244 HydrophobicContact CE2-CD2 4.33Å; F240-L244 HydrophobicContact CE2-CG 4.31Å; F240-L244 HydrophobicContact CZ-CD1 3.88Å; F240-L244 HydrophobicContact CZ-CD2 3.89Å; F240-L244 HydrophobicContact CZ-CG 3.93Å; F240-L244 WeakPolarHBondContact O-CG 2.92Å; F240-L244 PolarHBondContact O-N 2.87Å; L241-L244 PolarHBondContact O-N 3.3Å; L241-L244 VanDerWaalsContact O-N 3.17Å; L244-F248 WeakPolarHBondContact O-CB 3.15Å; L244-F248 PolarHBondContact O-N 3.29Å; L244-A289 WeakPolarHBondContact CD1-O 3.12Å; L244-Y292 HydrophobicContact CD2-CD2 4.18Å; L244-W293 HydrophobicContact CD1-CB 4.04Å; L244-W314 HydrophobicContact CB-CZ3 4.38Å; L244-W314 HydrophobicContact CD2-CE3 3.61Å; L244-W314 HydrophobicContact CD2-CZ3 3.61Å |
| 245 | I | 86 | Confident | 81.1 | Confident | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -47.6 | 177.7 | -71.1 | 165.9 | 0 | 0 | 0 | 111 | A196 F197 S200 L241 S242 K243 F248 L249 | A196-I245 HydrophobicContact CB-CD1 3.87Å; A196-I245 VanDerWaalsContact O-CD1 3.3Å; A196-I245 WeakPolarHBondContact O-CD1 3.43Å; F197-I245 HydrophobicContact CD2-CG2 4.05Å; S200-I245 WeakPolarHBondContact OG-CD1 3.39Å; L241-I245 HydrophobicContact CD1-CD1 4.11Å; L241-I245 HydrophobicContact CD1-CG1 4.31Å; L241-I245 HydrophobicContact CD2-CD1 4.45Å; L241-I245 HydrophobicContact CG-CD1 3.76Å; L241-I245 HydrophobicContact CG-CG1 4.41Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.3Å; L241-I245 PolarHBondContact O-N 3.05Å; S242-I245 PolarHBondContact O-N 3.43Å; K243-I245 VanDerWaalsContact C-N 3.29Å; K243-I245 PolarHBondContact O-N 2.86Å; I245-F248 PolarHBondContact O-N 2.94Å; I245-L249 HydrophobicContact CG2-CD1 3.59Å; I245-L249 HydrophobicContact CG2-CG 4.21Å; I245-L249 VanDerWaalsContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CB 3.3Å; I245-L249 WeakPolarHBondContact O-CG 3.2Å; I245-L249 PolarHBondContact O-N 3.13Å |
| 246 | V | 83.1 | Confident | 82.9 | Confident | 21 Ų | 21 | 38.8 Ų | 38.8 | 13% | 0.127 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.1 | -45.9 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111 | V204 L207 V208 F224 S242 K243 F248 S250 | V204-V246 HydrophobicContact CG1-CG2 3.97Å; L207-V246 HydrophobicContact CD2-CB 4.26Å; L207-V246 HydrophobicContact CD2-CG2 3.93Å; V208-V246 HydrophobicContact CG2-CG2 4.27Å; F224-V246 HydrophobicContact CE1-CG1 4.28Å; F224-V246 HydrophobicContact CZ-CG1 3.97Å; S242-V246 WeakPolarHBondContact O-CG2 3.23Å; S242-V246 PolarHBondContact O-N 3.49Å; K243-V246 PolarHBondContact O-N 2.93Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 2.76Å; V246-S250 VanDerWaalsContact O-CB 3.26Å; V246-S250 WeakPolarHBondContact O-CB 3.35Å; V246-S250 PolarHBondContact O-N 3.43Å; V246-S250 PolarHBondContact O-OG 3.28Å |
| 247 | C | 82.1 | Confident | 84.1 | Confident | 11 Ų | 11 | 40.5 Ų | 40.5 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.3 | -68 | 0 | 0 | 0 | 0 | 110.9 | K243 S250 V312 W314 C317 | K243-C247 VanDerWaalsContact O-CB 3.28Å; K243-C247 WeakPolarHBondContact O-CB 3.47Å; K243-C247 PolarHBondContact O-N 2.72Å; K243-C247 PolarHBondContact O-SG 3.46Å; C247-S250 PolarHBondContact O-OG 2.98Å; C247-V312 HydrophobicContact CB-CG1 4.25Å; C247-W314 HydrophobicContact CB-CE3 4.09Å; C247-W314 HydrophobicContact CB-CZ3 3.89Å; C247-C317 WeakPolarHBondContact CB-SG 3.48Å; C247-C317 WeakPolarHBondContact SG-CB 3.27Å; C247-C317 CovalentContact SG-SG 2.07Å; C247-C317 PolarHBondContact SG-SG 3.27Å |
| 248 | F | 88.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -52 | 179.9 | -179.1 | -99.2 | 0 | 0 | 0 | 112.6 | L193 L244 I245 V246 S250 T251 W252 V256 F282 F286 W314 | L193-F248 HydrophobicContact CD1-CE1 3.77Å; L193-F248 HydrophobicContact CD1-CZ 4.4Å; L193-F248 HydrophobicContact CD2-CD1 3.98Å; L193-F248 HydrophobicContact CD2-CE1 3.71Å; L193-F248 HydrophobicContact CD2-CZ 4.5Å; L193-F248 HydrophobicContact CG-CE1 4.42Å; L244-F248 WeakPolarHBondContact O-CB 3.15Å; L244-F248 PolarHBondContact O-N 3.29Å; I245-F248 PolarHBondContact O-N 2.94Å; V246-F248 VanDerWaalsContact C-N 3.34Å; V246-F248 PolarHBondContact O-N 2.76Å; F248-S250 VanDerWaalsContact C-N 3.3Å; F248-S250 PolarHBondContact O-N 2.98Å; F248-T251 PolarHBondContact O-N 3.35Å; F248-W252 AromaticContact CD2-CD1 3.77Å; F248-W252 HydrophobicContact CE1-CB 4.21Å; F248-W252 AromaticContact CE2-CD1 3.67Å; F248-W252 HydrophobicContact CE2-CG 4.25Å; F248-W252 HydrophobicContact CZ-CB 4.24Å; F248-W252 HydrophobicContact CZ-CG 4.35Å; F248-W252 PolarHBondContact O-N 3.15Å; F248-V256 HydrophobicContact CE1-CG2 4.36Å; F248-F282 HydrophobicContact CE1-CD2 4.48Å; F248-F282 AromaticContact CE1-CE2 3.74Å; F248-F282 HydrophobicContact CE1-CE2 3.74Å; F248-F282 HydrophobicContact CE1-CZ 4.37Å; F248-F282 HydrophobicContact CE2-CD2 4.39Å; F248-F282 HydrophobicContact CE2-CE2 4.34Å; F248-F282 AromaticContact CZ-CD2 3.72Å; F248-F282 HydrophobicContact CZ-CD2 3.72Å; F248-F282 AromaticContact CZ-CE2 3.28Å; F248-F282 HydrophobicContact CZ-CE2 3.28Å; F248-F282 AromaticContact CZ-CZ 3.91Å; F248-F282 HydrophobicContact CZ-CZ 3.91Å; F248-F286 HydrophobicContact CE2-CB 3.98Å; F248-F286 HydrophobicContact CZ-CB 4.18Å; F248-F286 HydrophobicContact CZ-CD2 4.45Å; F248-W314 HydrophobicContact CB-CH2 4.03Å; F248-W314 HydrophobicContact CD2-CH2 4.24Å |
| 249 | L | 88.2 | Confident | 85.5 | Confident | 38 Ų | 38 | 37.8 Ų | 37.8 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -32.8 | -178.7 | -70.1 | 176.4 | 0 | 0 | 0 | 111.5 | F197 I245 T251 W252 L253 V256 | F197-L249 HydrophobicContact CD2-CD1 4.27Å; F197-L249 HydrophobicContact CE2-CD1 4.45Å; I245-L249 HydrophobicContact CG2-CD1 3.59Å; I245-L249 HydrophobicContact CG2-CG 4.21Å; I245-L249 VanDerWaalsContact O-CB 3.31Å; I245-L249 WeakPolarHBondContact O-CB 3.3Å; I245-L249 WeakPolarHBondContact O-CG 3.2Å; I245-L249 PolarHBondContact O-N 3.13Å; L249-T251 PolarHBondContact O-N 3.31Å; L249-W252 PolarHBondContact O-N 3.38Å; L249-L253 WeakPolarHBondContact O-CA 3.33Å; L249-L253 WeakPolarHBondContact O-CB 3.29Å; L249-L253 PolarHBondContact O-N 2.88Å; L249-V256 HydrophobicContact CD2-CG2 4.25Å |
| 250 | S | 82.6 | Confident | 86.1 | Confident | 76 Ų | 76 | 37.7 Ų | 37.7 | 53% | 0.531 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.1 | -30.9 | 176.2 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | V246 C247 F248 | V246-S250 VanDerWaalsContact O-CB 3.26Å; V246-S250 WeakPolarHBondContact O-CB 3.35Å; V246-S250 PolarHBondContact O-N 3.43Å; V246-S250 PolarHBondContact O-OG 3.28Å; C247-S250 PolarHBondContact O-OG 2.98Å; F248-S250 VanDerWaalsContact C-N 3.3Å; F248-S250 PolarHBondContact O-N 2.98Å |
| 251 | T | 86 | Confident | 86.5 | Confident | 51 Ų | 51 | 40.9 Ų | 40.9 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -96.7 | -43.2 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | F248 L249 F311 V312 | F248-T251 PolarHBondContact O-N 3.35Å; L249-T251 PolarHBondContact O-N 3.31Å; T251-F311 HydrophobicContact CG2-CB 4.06Å; T251-V312 HydrophobicContact CG2-CG2 4.19Å |
| 252 | W | 91.1 | Very high | 86.7 | Confident | 21 Ų | 21 | 42 Ų | 42 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -103.8 | 1.6 | -167.5 | -66.5 | 110.4 | 0 | 0 | 0 | 114.8 | F248 L249 F255 V256 P278 Y281 F282 S285 F311 | F248-W252 AromaticContact CD2-CD1 3.77Å; F248-W252 HydrophobicContact CE1-CB 4.21Å; F248-W252 AromaticContact CE2-CD1 3.67Å; F248-W252 HydrophobicContact CE2-CG 4.25Å; F248-W252 HydrophobicContact CZ-CB 4.24Å; F248-W252 HydrophobicContact CZ-CG 4.35Å; F248-W252 PolarHBondContact O-N 3.15Å; L249-W252 PolarHBondContact O-N 3.38Å; W252-F255 HydrophobicContact CE3-CB 4.05Å; W252-F255 HydrophobicContact CE3-CD1 4.44Å; W252-F255 HydrophobicContact CE3-CG 4.37Å; W252-F255 WeakPolarHBondContact O-CB 3.37Å; W252-F255 PolarHBondContact O-N 3.27Å; W252-V256 WeakPolarHBondContact O-CG2 3.23Å; W252-V256 PolarHBondContact O-N 3.35Å; W252-P278 WeakPolarHBondContact CH2-O 3.24Å; W252-Y281 VanDerWaalsContact CZ2-C 3.48Å; W252-F282 HydrophobicContact CB-CD2 3.84Å; W252-F282 HydrophobicContact CB-CE2 4.08Å; W252-F282 HydrophobicContact CD2-CB 4.11Å; W252-F282 AromaticContact CD2-CD2 3.81Å; W252-F282 HydrophobicContact CD2-CD2 3.81Å; W252-F282 HydrophobicContact CD2-CG 4.48Å; W252-F282 HydrophobicContact CE3-CB 3.8Å; W252-F282 AromaticContact CE3-CD2 3.87Å; W252-F282 HydrophobicContact CE3-CD2 3.87Å; W252-F282 HydrophobicContact CE3-CG 4.33Å; W252-F282 AromaticContact CG-CD2 3.81Å; W252-F282 HydrophobicContact CG-CD2 3.81Å; W252-F282 HydrophobicContact CG-CE2 4.47Å; W252-F282 HydrophobicContact CH2-CB 4.09Å; W252-F282 HydrophobicContact CZ2-CB 4.37Å; W252-F282 HydrophobicContact CZ3-CB 3.78Å; W252-S285 VanDerWaalsContact NE1-CB 3.33Å; W252-S285 PolarHBondContact NE1-OG 3Å; W252-F311 HydrophobicContact CZ2-CB 4.35Å; W252-F311 HydrophobicContact CZ2-CD2 4.32Å; W252-F311 HydrophobicContact CZ2-CG 4.42Å |
| 253 | L | 89.1 | Confident | 87 | Confident | 84 Ų | 84 | 43.1 Ų | 43.1 | 44% | 0.44 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -51.9 | -46.5 | 179.7 | 178 | 69.6 | 0 | 0 | 0 | 113.3 | L249 F255 V256 L257 | L249-L253 WeakPolarHBondContact O-CA 3.33Å; L249-L253 WeakPolarHBondContact O-CB 3.29Å; L249-L253 PolarHBondContact O-N 2.88Å; L253-F255 PolarHBondContact O-N 3.47Å; L253-V256 PolarHBondContact O-N 3.2Å; L253-L257 HydrophobicContact CD1-CD1 4.17Å; L253-L257 HydrophobicContact CD1-CD2 4.47Å; L253-L257 HydrophobicContact CD1-CG 4.03Å; L253-L257 HydrophobicContact CG-CD1 3.96Å; L253-L257 HydrophobicContact CG-CG 4.26Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 WeakPolarHBondContact O-CG 3.43Å; L253-L257 PolarHBondContact O-N 3.48Å |
| 254 | P | 89.3 | Confident | 87.4 | Confident | 98 Ų | 98 | 48.3 Ų | 48.3 | 64% | 0.636 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -58 | -38.6 | 177.7 | -24.4 | 34.8 | 0 | 0 | 0 | 112.7 | L258 | P254-L258 WeakPolarHBondContact O-CB 3.31Å; P254-L258 PolarHBondContact O-N 2.86Å |
| 255 | F | 88.9 | Confident | 87.6 | Confident | 39 Ų | 39 | 54 Ų | 54 | 17% | 0.171 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.9 | -38.5 | 179.9 | -164.1 | -111.1 | 0 | 0 | 0 | 112.2 | W252 L253 L258 Q259 W279 F282 | W252-F255 HydrophobicContact CE3-CB 4.05Å; W252-F255 HydrophobicContact CE3-CD1 4.44Å; W252-F255 HydrophobicContact CE3-CG 4.37Å; W252-F255 WeakPolarHBondContact O-CB 3.37Å; W252-F255 PolarHBondContact O-N 3.27Å; L253-F255 PolarHBondContact O-N 3.47Å; F255-L258 PolarHBondContact O-N 3.16Å; F255-Q259 WeakPolarHBondContact O-CG 3.21Å; F255-Q259 PolarHBondContact O-N 2.86Å; F255-W279 HydrophobicContact CE1-CB 4.44Å; F255-W279 HydrophobicContact CZ-CB 3.86Å; F255-W279 AromaticContact CZ-CD1 3.82Å; F255-W279 HydrophobicContact CZ-CG 4.24Å; F255-F282 HydrophobicContact CD1-CB 3.78Å; F255-F282 AromaticContact CD1-CD1 3.94Å; F255-F282 HydrophobicContact CD1-CD1 3.94Å; F255-F282 AromaticContact CD1-CD2 3.58Å; F255-F282 HydrophobicContact CD1-CD2 3.58Å; F255-F282 HydrophobicContact CD1-CE1 4.42Å; F255-F282 HydrophobicContact CD1-CE2 4.07Å; F255-F282 AromaticContact CD1-CG 3.48Å; F255-F282 HydrophobicContact CD1-CG 3.48Å; F255-F282 VanDerWaalsContact CD1-CG 3.48Å; F255-F282 HydrophobicContact CD1-CZ 4.47Å; F255-F282 HydrophobicContact CE1-CB 3.72Å; F255-F282 AromaticContact CE1-CD1 3.74Å; F255-F282 HydrophobicContact CE1-CD1 3.74Å; F255-F282 HydrophobicContact CE1-CD2 4.21Å; F255-F282 HydrophobicContact CE1-CE1 4.4Å; F255-F282 AromaticContact CE1-CG 3.62Å; F255-F282 HydrophobicContact CE1-CG 3.62Å |
| 256 | V | 90.9 | Very high | 87.5 | Confident | 16 Ų | 16 | 61.3 Ų | 61.3 | 10% | 0.097 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 174.2 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L193 F248 L249 W252 L253 L258 Q259 V260 F282 | L193-V256 HydrophobicContact CD1-CG2 4.12Å; F248-V256 HydrophobicContact CE1-CG2 4.36Å; L249-V256 HydrophobicContact CD2-CG2 4.25Å; W252-V256 WeakPolarHBondContact O-CG2 3.23Å; W252-V256 PolarHBondContact O-N 3.35Å; L253-V256 PolarHBondContact O-N 3.2Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.07Å; V256-Q259 PolarHBondContact O-N 3.14Å; V256-V260 WeakPolarHBondContact O-CG2 3.35Å; V256-V260 PolarHBondContact O-N 3.3Å; V256-F282 HydrophobicContact CG2-CE2 3.68Å; V256-F282 HydrophobicContact CG2-CZ 4.13Å |
| 257 | L | 90.4 | Very high | 87.4 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 176.6 | -71.1 | 174.6 | 0 | 0 | 0 | 111.5 | L253 Q259 V260 I261 | L253-L257 HydrophobicContact CD1-CD1 4.17Å; L253-L257 HydrophobicContact CD1-CD2 4.47Å; L253-L257 HydrophobicContact CD1-CG 4.03Å; L253-L257 HydrophobicContact CG-CD1 3.96Å; L253-L257 HydrophobicContact CG-CG 4.26Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 WeakPolarHBondContact O-CG 3.43Å; L253-L257 PolarHBondContact O-N 3.48Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 3.48Å; L257-V260 PolarHBondContact O-N 3.41Å; L257-I261 VanDerWaalsContact O-CG1 3.3Å; L257-I261 WeakPolarHBondContact O-CG1 3.3Å; L257-I261 PolarHBondContact O-N 2.99Å |
| 258 | L | 89.2 | Confident | 87.2 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 47% | 0.466 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 175.2 | -179.5 | 63.1 | 0 | 0 | 0 | 111.7 | P254 F255 V256 I261 I262 | P254-L258 WeakPolarHBondContact O-CB 3.31Å; P254-L258 PolarHBondContact O-N 2.86Å; F255-L258 PolarHBondContact O-N 3.16Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 3.07Å; L258-I261 PolarHBondContact O-N 3.47Å; L258-I262 HydrophobicContact CD1-CD1 4.11Å; L258-I262 HydrophobicContact CD1-CG1 4.43Å; L258-I262 HydrophobicContact CG-CD1 3.89Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.25Å |
| 259 | Q | 88.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 70.9 Ų | 70.9 | 6% | 0.056 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 176.1 | -74.1 | -177 | 43.4 | 0 | 0 | 112.2 | S186 V190 F255 V256 L257 I261 I262 L263 | S186-Q259 PolarHBondContact OG-OE1 3.35Å; V190-Q259 HydrophobicContact CG2-CB 4.09Å; F255-Q259 WeakPolarHBondContact O-CG 3.21Å; F255-Q259 PolarHBondContact O-N 2.86Å; V256-Q259 PolarHBondContact O-N 3.14Å; L257-Q259 VanDerWaalsContact C-N 3.34Å; L257-Q259 PolarHBondContact O-N 3.48Å; Q259-I261 VanDerWaalsContact C-N 3.33Å; Q259-I261 PolarHBondContact O-N 3.43Å; Q259-I262 PolarHBondContact O-N 2.91Å; Q259-L263 WeakPolarHBondContact O-CB 3.43Å; Q259-L263 VanDerWaalsContact O-CG 3.29Å; Q259-L263 WeakPolarHBondContact O-CG 3.24Å; Q259-L263 PolarHBondContact O-N 3.11Å |
| 260 | V | 88.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | V190 V256 L257 I262 L263 L264 | V190-V260 HydrophobicContact CG1-CG2 3.89Å; V256-V260 WeakPolarHBondContact O-CG2 3.35Å; V256-V260 PolarHBondContact O-N 3.3Å; L257-V260 PolarHBondContact O-N 3.41Å; V260-I262 PolarHBondContact O-N 3.47Å; V260-L263 PolarHBondContact O-N 3.24Å; V260-L264 HydrophobicContact CG1-CD1 3.66Å; V260-L264 HydrophobicContact CG1-CG 4.17Å; V260-L264 WeakPolarHBondContact O-CB 3.34Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.36Å; V260-L264 PolarHBondContact O-N 2.93Å |
| 261 | I | 88.9 | Confident | 86.1 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 177.4 | -68.2 | 165.3 | 0 | 0 | 0 | 110.8 | L257 L258 Q259 L263 L264 L265 | L257-I261 VanDerWaalsContact O-CG1 3.3Å; L257-I261 WeakPolarHBondContact O-CG1 3.3Å; L257-I261 PolarHBondContact O-N 2.99Å; L258-I261 PolarHBondContact O-N 3.47Å; Q259-I261 VanDerWaalsContact C-N 3.33Å; Q259-I261 PolarHBondContact O-N 3.43Å; I261-L263 VanDerWaalsContact C-N 3.34Å; I261-L263 PolarHBondContact O-N 2.91Å; I261-L264 PolarHBondContact O-N 2.82Å; I261-L265 HydrophobicContact CG2-CD1 3.64Å; I261-L265 HydrophobicContact CG2-CG 4.31Å; I261-L265 VanDerWaalsContact O-CB 3.29Å; I261-L265 WeakPolarHBondContact O-CB 3.44Å; I261-L265 WeakPolarHBondContact O-CG 2.92Å; I261-L265 PolarHBondContact O-N 2.89Å |
| 262 | I | 86.6 | Confident | 85.6 | Confident | 49 Ų | 49 | 65.4 Ų | 65.4 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 178.4 | -72.1 | 166.5 | 0 | 0 | 0 | 111 | L258 Q259 V260 K266 V267 V269 | L258-I262 HydrophobicContact CD1-CD1 4.11Å; L258-I262 HydrophobicContact CD1-CG1 4.43Å; L258-I262 HydrophobicContact CG-CD1 3.89Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.18Å; L258-I262 PolarHBondContact O-N 3.25Å; Q259-I262 PolarHBondContact O-N 2.91Å; V260-I262 PolarHBondContact O-N 3.47Å; I262-K266 WeakPolarHBondContact O-CA 3.24Å; I262-K266 PolarHBondContact O-N 3.49Å; I262-V267 HydrophobicContact CG2-CB 4.27Å; I262-V267 PolarHBondContact O-N 3.48Å; I262-V269 HydrophobicContact CD1-CG2 4.32Å; I262-V269 HydrophobicContact CG2-CG2 4.11Å |
| 263 | L | 87 | Confident | 85.1 | Confident | 25 Ų | 25 | 66.5 Ų | 66.5 | 13% | 0.131 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.9 | -44.5 | 179.6 | -70.3 | 173 | 0 | 0 | 0 | 112.1 | Y183 F187 V190 Q259 V260 I261 K266 | Y183-L263 HydrophobicContact CD2-CD2 3.66Å; Y183-L263 HydrophobicContact CE2-CD2 3.4Å; Y183-L263 VanDerWaalsContact CE2-CD2 3.4Å; F187-L263 HydrophobicContact CB-CD2 4.48Å; V190-L263 HydrophobicContact CB-CD1 4.32Å; V190-L263 HydrophobicContact CG2-CD1 4.1Å; Q259-L263 WeakPolarHBondContact O-CB 3.43Å; Q259-L263 VanDerWaalsContact O-CG 3.29Å; Q259-L263 WeakPolarHBondContact O-CG 3.24Å; Q259-L263 PolarHBondContact O-N 3.11Å; V260-L263 PolarHBondContact O-N 3.24Å; I261-L263 VanDerWaalsContact C-N 3.34Å; I261-L263 PolarHBondContact O-N 2.91Å; L263-K266 PolarHBondContact O-N 2.98Å |
| 264 | L | 87.3 | Confident | 84.7 | Confident | 136 Ų | 136 | 64.2 Ų | 64.2 | 71% | 0.712 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 179.4 | -73.7 | 173.8 | 0 | 0 | 0 | 112 | V260 I261 K266 | V260-L264 HydrophobicContact CG1-CD1 3.66Å; V260-L264 HydrophobicContact CG1-CG 4.17Å; V260-L264 WeakPolarHBondContact O-CB 3.34Å; V260-L264 VanDerWaalsContact O-CG 3.23Å; V260-L264 WeakPolarHBondContact O-CG 3.36Å; V260-L264 PolarHBondContact O-N 2.93Å; I261-L264 PolarHBondContact O-N 2.82Å; L264-K266 VanDerWaalsContact C-N 3.26Å; L264-K266 PolarHBondContact O-N 3.33Å |
| 265 | L | 87.5 | Confident | 84.6 | Confident | 124 Ų | 124 | 59.5 Ų | 59.5 | 65% | 0.649 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.1 | 179.8 | -64.2 | -179.6 | 0 | 0 | 0 | 113 | I261 V267 | I261-L265 HydrophobicContact CG2-CD1 3.64Å; I261-L265 HydrophobicContact CG2-CG 4.31Å; I261-L265 VanDerWaalsContact O-CB 3.29Å; I261-L265 WeakPolarHBondContact O-CB 3.44Å; I261-L265 WeakPolarHBondContact O-CG 2.92Å; I261-L265 PolarHBondContact O-N 2.89Å; L265-V267 HydrophobicContact CB-CG2 3.69Å; L265-V267 HydrophobicContact CD1-CG2 4.5Å; L265-V267 PolarHBondContact O-N 2.66Å |
| 266 | K | 83.4 | Confident | 84.6 | Confident | 165 Ų | 165 | 58.6 Ų | 58.6 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 40 | -175 | -59.5 | -178.1 | 179.6 | 178.9 | 0 | 112.4 | I262 L263 L264 Q268 | I262-K266 WeakPolarHBondContact O-CA 3.24Å; I262-K266 PolarHBondContact O-N 3.49Å; L263-K266 PolarHBondContact O-N 2.98Å; L264-K266 VanDerWaalsContact C-N 3.26Å; L264-K266 PolarHBondContact O-N 3.33Å; K266-Q268 PolarHBondContact O-N 3.49Å |
| 267 | V | 80.9 | Confident | 84.6 | Confident | 75 Ų | 75 | 57.9 Ų | 57.9 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | trans | -65.9 | 124 | -179 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | I262 L265 V269 | I262-V267 HydrophobicContact CG2-CB 4.27Å; I262-V267 PolarHBondContact O-N 3.48Å; L265-V267 HydrophobicContact CB-CG2 3.69Å; L265-V267 HydrophobicContact CD1-CG2 4.5Å; L265-V267 PolarHBondContact O-N 2.66Å; V267-V269 HydrophobicContact CG1-CG2 4.38Å; V267-V269 PolarHBondContact O-N 3.21Å | ||
| 268 | Q | 78.8 | Confident | 84.5 | Confident | 130 Ų | 130 | 54.2 Ų | 54.2 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | trans | -79.2 | 98.8 | 176.1 | -68.1 | -178.2 | 5.4 | 0 | 0 | 109.3 | V178 K266 | V178-Q268 HydrophobicContact CG1-CB 4.47Å; V178-Q268 HydrophobicContact CG2-CB 3.99Å; V178-Q268 HydrophobicContact CG2-CG 4.5Å; K266-Q268 PolarHBondContact O-N 3.49Å | ||
| 269 | V | 76.8 | Confident | 84.5 | Confident | 33 Ų | 33 | 51 Ų | 51 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | trans | -85.8 | 126.1 | 174.6 | -177.5 | 0 | 0 | 0 | 0 | 109 | I262 V267 I273 E274 | I262-V269 HydrophobicContact CD1-CG2 4.32Å; I262-V269 HydrophobicContact CG2-CG2 4.11Å; V267-V269 HydrophobicContact CG1-CG2 4.38Å; V267-V269 PolarHBondContact O-N 3.21Å; V269-I273 HydrophobicContact CG1-CB 4.43Å; V269-E274 HydrophobicContact CG1-CB 4.37Å | ||
| 270 | P | 78.7 | Confident | 84.6 | Confident | 22 Ų | 22 | 50.5 Ų | 50.5 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | trans | -62.9 | 136.3 | 174.8 | -21.6 | 31.5 | 0 | 0 | 0 | 112.3 | F176 Y272 I273 E274 | F176-P270 HydrophobicContact CB-CB 4.42Å; P270-Y272 HydrophobicContact CB-CD1 3.57Å; P270-Y272 HydrophobicContact CB-CE1 3.16Å; P270-Y272 HydrophobicContact CB-CE2 4.45Å; P270-Y272 HydrophobicContact CB-CG 4.37Å; P270-Y272 HydrophobicContact CG-CE1 3.95Å; P270-Y272 PolarHBondContact O-N 3.13Å; P270-Y272 VanDerWaalsContact O-N 3.14Å; P270-I273 HydrophobicContact CB-CD1 4.3Å; P270-I273 HydrophobicContact CB-CG1 4.38Å; P270-I273 HydrophobicContact CG-CD1 4.05Å; P270-I273 PolarHBondContact O-N 3.15Å; P270-E274 PolarHBondContact O-N 3.21Å | ||
| 271 | A | 80.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -26.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S102 Y177 I273 E274 | S102-A271 VanDerWaalsContact O-CB 3.26Å; S102-A271 WeakPolarHBondContact O-CB 2.83Å; Y177-A271 HydrophobicContact CD1-CB 3.73Å; Y177-A271 HydrophobicContact CE1-CB 4.3Å; Y177-A271 WeakPolarHBondContact O-CB 3.23Å; Y177-A271 PolarHBondContact O-N 3.47Å; A271-I273 PolarHBondContact O-N 3.22Å; A271-E274 PolarHBondContact O-N 3.27Å |
| 272 | Y | 75.1 | Confident | 84.7 | Confident | 27 Ų | 27 | 44.3 Ų | 44.3 | 11% | 0.106 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66 | -21.7 | 175.2 | 63.8 | -94.7 | 0 | 0 | 0 | 113.8 | L28 I31 I32 K35 T98 S102 P270 | L28-Y272 HydrophobicContact CD1-CE1 4.38Å; L28-Y272 HydrophobicContact CD1-CE2 3.78Å; I31-Y272 HydrophobicContact CG2-CE2 3.88Å; I32-Y272 HydrophobicContact CG1-CD2 4.49Å; K35-Y272 WeakPolarHBondContact CE-O 2.98Å; K35-Y272 PolarHBondContact NZ-O 2.91Å; T98-Y272 HydrophobicContact CG2-CD1 3.87Å; T98-Y272 HydrophobicContact CG2-CE1 4.2Å; T98-Y272 HydrophobicContact CG2-CG 4.08Å; S102-Y272 WeakPolarHBondContact OG-CB 3.5Å; S102-Y272 WeakPolarHBondContact OG-CD1 3.47Å; P270-Y272 HydrophobicContact CB-CD1 3.57Å; P270-Y272 HydrophobicContact CB-CE1 3.16Å; P270-Y272 HydrophobicContact CB-CE2 4.45Å; P270-Y272 HydrophobicContact CB-CG 4.37Å; P270-Y272 HydrophobicContact CG-CE1 3.95Å; P270-Y272 PolarHBondContact O-N 3.13Å; P270-Y272 VanDerWaalsContact O-N 3.14Å |
| 273 | I | 80.8 | Confident | 84.8 | Confident | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.226 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -93.4 | -31.9 | 177.5 | -51.5 | 177.8 | 0 | 0 | 0 | 111.2 | I31 V269 P270 A271 N276 | I31-I273 HydrophobicContact CG2-CD1 3.34Å; I31-I273 HydrophobicContact CG2-CG1 3.71Å; V269-I273 HydrophobicContact CG1-CB 4.43Å; P270-I273 HydrophobicContact CB-CD1 4.3Å; P270-I273 HydrophobicContact CB-CG1 4.38Å; P270-I273 HydrophobicContact CG-CD1 4.05Å; P270-I273 PolarHBondContact O-N 3.15Å; A271-I273 PolarHBondContact O-N 3.22Å; I273-N276 PolarHBondContact O-ND2 2.88Å |
| 274 | E | 80.6 | Confident | 84.9 | Confident | 36 Ų | 36 | 41.2 Ų | 41.2 | 17% | 0.168 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | -166.4 | -169.4 | 168.2 | -148.6 | 0 | 0 | 113.3 | S182 V269 P270 A271 N276 | S182-E274 WeakPolarHBondContact CB-OE1 3.28Å; S182-E274 WeakPolarHBondContact CB-OE2 3.33Å; S182-E274 VanDerWaalsContact OG-CD 3.26Å; S182-E274 PolarHBondContact OG-OE2 2.03Å; V269-E274 HydrophobicContact CG1-CB 4.37Å; P270-E274 PolarHBondContact O-N 3.21Å; A271-E274 PolarHBondContact O-N 3.27Å; E274-N276 PolarHBondContact O-N 2.75Å; E274-N276 PolarHBondContact O-ND2 3.02Å |
| 275 | M | 86.9 | Confident | 85 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -83.4 | 101.2 | 173.5 | -161.3 | -179 | -153.6 | 0 | 0 | 110.6 | K35 F58 L62 Y105 L108 V112 L280 | K35-M275 WeakPolarHBondContact CE-O 3.3Å; K35-M275 PolarHBondContact NZ-O 3.39Å; F58-M275 HydrophobicContact CE1-CE 3.56Å; F58-M275 HydrophobicContact CZ-CE 3.68Å; F58-M275 HydrophobicContact CZ-SD 4.44Å; L62-M275 HydrophobicContact CD2-CG 4.28Å; Y105-M275 HydrophobicContact CD1-SD 4.32Å; Y105-M275 HydrophobicContact CD2-CB 4.15Å; Y105-M275 HydrophobicContact CG-CB 3.97Å; Y105-M275 HydrophobicContact CG-SD 4.38Å; L108-M275 HydrophobicContact CB-CE 3.74Å; L108-M275 HydrophobicContact CB-SD 3.66Å; L108-M275 HydrophobicContact CD2-CE 4.02Å; L108-M275 HydrophobicContact CD2-SD 3.67Å; L108-M275 HydrophobicContact CG-CE 3.88Å; L108-M275 HydrophobicContact CG-SD 4.02Å; V112-M275 HydrophobicContact CB-CE 4.46Å; V112-M275 HydrophobicContact CG2-CE 4.13Å; M275-L280 HydrophobicContact CE-CD2 4.13Å |
| 276 | N | 90.6 | Very high | 85.1 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 11% | 0.107 | 15% | 0.147 | C | C | . | . | trans | -134.7 | 168.8 | 177.5 | 59.1 | 57.5 | 0 | 0 | 0 | 111.3 | K35 I273 E274 P278 W279 L280 | K35-N276 HydrophobicContact CG-CB 4.47Å; I273-N276 PolarHBondContact O-ND2 2.88Å; E274-N276 PolarHBondContact O-N 2.75Å; E274-N276 PolarHBondContact O-ND2 3.02Å; N276-P278 WeakPolarHBondContact OD1-CD 3.4Å; N276-W279 WeakPolarHBondContact O-CB 3.41Å; N276-W279 PolarHBondContact O-N 3.33Å; N276-W279 VanDerWaalsContact OD1-CB 3.29Å; N276-W279 WeakPolarHBondContact OD1-CB 3.4Å; N276-W279 PolarHBondContact OD1-N 2.91Å; N276-L280 WeakPolarHBondContact O-CG 3.47Å; N276-L280 PolarHBondContact O-N 3.21Å | ||
| 277 | I | 89.5 | Confident | 85.3 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.2 | -42.5 | -175.2 | -66.6 | -175 | 0 | 0 | 0 | 112.9 | N39 T42 L43 C59 L62 A63 W279 L280 Y281 | N39-I277 HydrophobicContact CB-CB 4.28Å; N39-I277 HydrophobicContact CB-CD1 3.68Å; N39-I277 HydrophobicContact CB-CG1 3.98Å; N39-I277 WeakPolarHBondContact OD1-CB 3.31Å; N39-I277 WeakPolarHBondContact OD1-CG1 3.34Å; N39-I277 PolarHBondContact OD1-N 2.71Å; T42-I277 HydrophobicContact CG2-CG2 3.88Å; L43-I277 HydrophobicContact CD1-CD1 3.53Å; L43-I277 HydrophobicContact CD2-CD1 4.06Å; L43-I277 HydrophobicContact CD2-CG2 4.34Å; L43-I277 HydrophobicContact CG-CD1 3.6Å; L43-I277 HydrophobicContact CG-CG2 4.3Å; C59-I277 HydrophobicContact CB-CD1 4.27Å; C59-I277 HydrophobicContact CB-CG1 4.3Å; C59-I277 HydrophobicContact CB-CG2 4.45Å; C59-I277 WeakPolarHBondContact O-CD1 3.07Å; L62-I277 HydrophobicContact CD2-CG1 4.34Å; A63-I277 HydrophobicContact CB-CD1 3.98Å; I277-W279 VanDerWaalsContact C-N 3.29Å; I277-W279 PolarHBondContact O-N 3.41Å; I277-L280 PolarHBondContact O-N 3.17Å; I277-L280 VanDerWaalsContact O-N 3.17Å; I277-Y281 HydrophobicContact CG2-CD2 3.42Å; I277-Y281 VanDerWaalsContact CG2-CD2 3.42Å; I277-Y281 HydrophobicContact CG2-CE2 3.24Å; I277-Y281 WeakPolarHBondContact O-CD2 3.35Å; I277-Y281 PolarHBondContact O-N 3.12Å |
| 278 | P | 89.4 | Confident | 85.5 | Confident | 15 Ų | 15 | 18.8 Ų | 18.8 | 10% | 0.097 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.8 | -44.8 | 171.2 | -27.4 | 33.1 | 0 | 0 | 0 | 113.2 | L38 T42 W252 N276 L280 Y281 F282 | L38-P278 HydrophobicContact CD1-CG 4.13Å; L38-P278 HydrophobicContact CD2-CG 3.9Å; L38-P278 HydrophobicContact CG-CG 3.75Å; T42-P278 HydrophobicContact CG2-CG 4.27Å; T42-P278 WeakPolarHBondContact OG1-CG 3.19Å; W252-P278 WeakPolarHBondContact CH2-O 3.24Å; N276-P278 WeakPolarHBondContact OD1-CD 3.4Å; P278-L280 PolarHBondContact O-N 3.37Å; P278-Y281 PolarHBondContact O-N 2.86Å; P278-F282 WeakPolarHBondContact O-CB 3.26Å; P278-F282 PolarHBondContact O-N 3.29Å |
| 279 | W | 88.8 | Confident | 85.8 | Confident | 22 Ų | 22 | 13.1 Ų | 13.1 | 8% | 0.083 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.8 | -178.4 | 91.3 | 0 | 0 | 0 | 111.9 | H109 L185 F255 N276 I277 Y281 F282 V283 | H109-W279 HydrophobicContact CB-CH2 4.34Å; H109-W279 AromaticContact CE1-CE3 3.92Å; H109-W279 AromaticContact CE1-CH2 3.71Å; H109-W279 AromaticContact CE1-CZ2 3.85Å; H109-W279 AromaticContact CE1-CZ3 3.7Å; H109-W279 AromaticContact CG-CH2 3.96Å; H109-W279 AromaticContact ND1-CE3 3.85Å; H109-W279 AromaticContact ND1-CH2 2.92Å; H109-W279 WeakPolarHBondContact ND1-CH2 3.49Å; H109-W279 AromaticContact ND1-CZ2 3.39Å; H109-W279 WeakPolarHBondContact ND1-CZ2 3.42Å; H109-W279 AromaticContact ND1-CZ3 3.15Å; H109-W279 WeakPolarHBondContact ND1-CZ3 3.06Å; L185-W279 HydrophobicContact CD2-CH2 3.66Å; L185-W279 HydrophobicContact CD2-CZ2 3.45Å; L185-W279 VanDerWaalsContact CD2-CZ2 3.45Å; L185-W279 HydrophobicContact CG-CZ2 4.24Å; F255-W279 HydrophobicContact CE1-CB 4.44Å; F255-W279 HydrophobicContact CZ-CB 3.86Å; F255-W279 AromaticContact CZ-CD1 3.82Å; F255-W279 HydrophobicContact CZ-CG 4.24Å; N276-W279 WeakPolarHBondContact O-CB 3.41Å; N276-W279 PolarHBondContact O-N 3.33Å; N276-W279 VanDerWaalsContact OD1-CB 3.29Å; N276-W279 WeakPolarHBondContact OD1-CB 3.4Å; N276-W279 PolarHBondContact OD1-N 2.91Å; I277-W279 VanDerWaalsContact C-N 3.29Å; I277-W279 PolarHBondContact O-N 3.41Å; W279-Y281 PolarHBondContact O-N 3.43Å; W279-F282 WeakPolarHBondContact O-CB 3.42Å; W279-F282 PolarHBondContact O-N 3.44Å; W279-V283 HydrophobicContact CD2-CG2 4.19Å; W279-V283 HydrophobicContact CE3-CG2 4.31Å; W279-V283 HydrophobicContact CH2-CG2 3.71Å; W279-V283 HydrophobicContact CZ2-CG2 3.63Å; W279-V283 HydrophobicContact CZ3-CG2 4.09Å; W279-V283 WeakPolarHBondContact O-CG2 3.21Å; W279-V283 PolarHBondContact O-N 3.25Å |
| 280 | L | 90 | Very high | 86.3 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 176.3 | -73.8 | 169.5 | 0 | 0 | 0 | 112.4 | M55 F58 L62 V112 M275 N276 I277 P278 V283 N284 | M55-L280 HydrophobicContact CE-CD2 4.24Å; M55-L280 HydrophobicContact SD-CD2 4.46Å; F58-L280 HydrophobicContact CD1-CD1 3.76Å; F58-L280 HydrophobicContact CD1-CD2 4.07Å; F58-L280 HydrophobicContact CE1-CD1 3.75Å; F58-L280 HydrophobicContact CE1-CD2 3.99Å; L62-L280 HydrophobicContact CD2-CD1 3.59Å; V112-L280 HydrophobicContact CG1-CD2 4.03Å; M275-L280 HydrophobicContact CE-CD2 4.13Å; N276-L280 WeakPolarHBondContact O-CG 3.47Å; N276-L280 PolarHBondContact O-N 3.21Å; I277-L280 PolarHBondContact O-N 3.17Å; I277-L280 VanDerWaalsContact O-N 3.17Å; P278-L280 PolarHBondContact O-N 3.37Å; L280-V283 PolarHBondContact O-N 3.22Å; L280-N284 VanDerWaalsContact O-CB 3.27Å; L280-N284 WeakPolarHBondContact O-CB 3.34Å; L280-N284 PolarHBondContact O-N 2.8Å |
| 281 | Y | 88.9 | Confident | 86.5 | Confident | 5 Ų | 5 | 13.1 Ų | 13.1 | 2% | 0.02 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -69.2 | -33.8 | 176.7 | -77.6 | -55.3 | 0 | 0 | 0 | 112.8 | T42 L43 R46 W252 I277 P278 W279 N284 S285 P310 F311 | T42-Y281 HydrophobicContact CG2-CD2 3.69Å; T42-Y281 HydrophobicContact CG2-CE2 4.01Å; L43-Y281 HydrophobicContact CD2-CE2 4.4Å; R46-Y281 WeakPolarHBondContact CD-OH 3.4Å; W252-Y281 VanDerWaalsContact CZ2-C 3.48Å; I277-Y281 HydrophobicContact CG2-CD2 3.42Å; I277-Y281 VanDerWaalsContact CG2-CD2 3.42Å; I277-Y281 HydrophobicContact CG2-CE2 3.24Å; I277-Y281 WeakPolarHBondContact O-CD2 3.35Å; I277-Y281 PolarHBondContact O-N 3.12Å; P278-Y281 PolarHBondContact O-N 2.86Å; W279-Y281 PolarHBondContact O-N 3.43Å; Y281-N284 WeakPolarHBondContact O-CB 3.45Å; Y281-N284 PolarHBondContact O-N 2.86Å; Y281-S285 PolarHBondContact O-N 2.65Å; Y281-S285 PolarHBondContact O-OG 2.92Å; Y281-P310 HydrophobicContact CD1-CG 3.58Å; Y281-P310 HydrophobicContact CE1-CB 4.35Å; Y281-P310 HydrophobicContact CE1-CG 3.52Å; Y281-F311 HydrophobicContact CD1-CD2 4.25Å; Y281-F311 AromaticContact CD1-CE2 3.96Å; Y281-F311 HydrophobicContact CD1-CE2 3.96Å; Y281-F311 HydrophobicContact CD2-CD2 4.33Å; Y281-F311 AromaticContact CD2-CE2 3.45Å; Y281-F311 HydrophobicContact CD2-CE2 3.45Å; Y281-F311 VanDerWaalsContact CD2-CE2 3.45Å; Y281-F311 HydrophobicContact CD2-CZ 4.18Å; Y281-F311 HydrophobicContact CE1-CE2 4.32Å; Y281-F311 AromaticContact CE2-CE2 3.79Å; Y281-F311 HydrophobicContact CE2-CE2 3.79Å; Y281-F311 HydrophobicContact CE2-CZ 4.37Å; Y281-F311 AromaticContact CG-CD2 3.97Å; Y281-F311 HydrophobicContact CG-CD2 3.97Å; Y281-F311 AromaticContact CG-CE2 3.52Å; Y281-F311 HydrophobicContact CG-CE2 3.52Å |
| 282 | F | 90.1 | Very high | 86.5 | Confident | 2 Ų | 2 | 13.3 Ų | 13.3 | 1% | 0.009 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.9 | -50.2 | 170.8 | 169 | -100.8 | 0 | 0 | 0 | 111.4 | M189 L193 F248 W252 F255 V256 P278 W279 N284 S285 F286 | M189-F282 HydrophobicContact CE-CD1 4.39Å; M189-F282 HydrophobicContact CE-CE1 3.76Å; M189-F282 HydrophobicContact CE-CZ 4.39Å; L193-F282 HydrophobicContact CD1-CZ 4.1Å; F248-F282 HydrophobicContact CE1-CD2 4.48Å; F248-F282 AromaticContact CE1-CE2 3.74Å; F248-F282 HydrophobicContact CE1-CE2 3.74Å; F248-F282 HydrophobicContact CE1-CZ 4.37Å; F248-F282 HydrophobicContact CE2-CD2 4.39Å; F248-F282 HydrophobicContact CE2-CE2 4.34Å; F248-F282 AromaticContact CZ-CD2 3.72Å; F248-F282 HydrophobicContact CZ-CD2 3.72Å; F248-F282 AromaticContact CZ-CE2 3.28Å; F248-F282 HydrophobicContact CZ-CE2 3.28Å; F248-F282 AromaticContact CZ-CZ 3.91Å; F248-F282 HydrophobicContact CZ-CZ 3.91Å; W252-F282 HydrophobicContact CB-CD2 3.84Å; W252-F282 HydrophobicContact CB-CE2 4.08Å; W252-F282 HydrophobicContact CD2-CB 4.11Å; W252-F282 AromaticContact CD2-CD2 3.81Å; W252-F282 HydrophobicContact CD2-CD2 3.81Å; W252-F282 HydrophobicContact CD2-CG 4.48Å; W252-F282 HydrophobicContact CE3-CB 3.8Å; W252-F282 AromaticContact CE3-CD2 3.87Å; W252-F282 HydrophobicContact CE3-CD2 3.87Å; W252-F282 HydrophobicContact CE3-CG 4.33Å; W252-F282 AromaticContact CG-CD2 3.81Å; W252-F282 HydrophobicContact CG-CD2 3.81Å; W252-F282 HydrophobicContact CG-CE2 4.47Å; W252-F282 HydrophobicContact CH2-CB 4.09Å; W252-F282 HydrophobicContact CZ2-CB 4.37Å; W252-F282 HydrophobicContact CZ3-CB 3.78Å; F255-F282 HydrophobicContact CD1-CB 3.78Å; F255-F282 AromaticContact CD1-CD1 3.94Å; F255-F282 HydrophobicContact CD1-CD1 3.94Å; F255-F282 AromaticContact CD1-CD2 3.58Å; F255-F282 HydrophobicContact CD1-CD2 3.58Å; F255-F282 HydrophobicContact CD1-CE1 4.42Å; F255-F282 HydrophobicContact CD1-CE2 4.07Å; F255-F282 AromaticContact CD1-CG 3.48Å; F255-F282 HydrophobicContact CD1-CG 3.48Å; F255-F282 VanDerWaalsContact CD1-CG 3.48Å; F255-F282 HydrophobicContact CD1-CZ 4.47Å; F255-F282 HydrophobicContact CE1-CB 3.72Å; F255-F282 AromaticContact CE1-CD1 3.74Å; F255-F282 HydrophobicContact CE1-CD1 3.74Å; F255-F282 HydrophobicContact CE1-CD2 4.21Å; F255-F282 HydrophobicContact CE1-CE1 4.4Å; F255-F282 AromaticContact CE1-CG 3.62Å; F255-F282 HydrophobicContact CE1-CG 3.62Å; V256-F282 HydrophobicContact CG2-CE2 3.68Å; V256-F282 HydrophobicContact CG2-CZ 4.13Å; P278-F282 WeakPolarHBondContact O-CB 3.26Å; P278-F282 PolarHBondContact O-N 3.29Å; W279-F282 WeakPolarHBondContact O-CB 3.42Å; W279-F282 PolarHBondContact O-N 3.44Å; F282-N284 VanDerWaalsContact C-N 3.29Å; F282-N284 PolarHBondContact O-N 3.31Å; F282-S285 PolarHBondContact O-N 3.35Å; F282-F286 PolarHBondContact O-N 3.35Å |
| 283 | V | 89.3 | Confident | 86.9 | Confident | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.018 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.3 | -40.6 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111 | M55 F113 W279 L280 F286 L287 | M55-V283 HydrophobicContact CE-CB 4.35Å; M55-V283 HydrophobicContact CE-CG1 4.02Å; F113-V283 HydrophobicContact CD2-CG1 3.72Å; F113-V283 HydrophobicContact CE2-CG1 4.13Å; W279-V283 HydrophobicContact CD2-CG2 4.19Å; W279-V283 HydrophobicContact CE3-CG2 4.31Å; W279-V283 HydrophobicContact CH2-CG2 3.71Å; W279-V283 HydrophobicContact CZ2-CG2 3.63Å; W279-V283 HydrophobicContact CZ3-CG2 4.09Å; W279-V283 WeakPolarHBondContact O-CG2 3.21Å; W279-V283 PolarHBondContact O-N 3.25Å; L280-V283 PolarHBondContact O-N 3.22Å; V283-F286 PolarHBondContact O-N 3.07Å; V283-L287 HydrophobicContact CG1-CD1 4.08Å; V283-L287 HydrophobicContact CG1-CG 4.36Å; V283-L287 WeakPolarHBondContact O-CG 3.18Å; V283-L287 PolarHBondContact O-N 2.96Å |
| 284 | N | 89.5 | Confident | 87 | Confident | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.027 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.1 | -50.6 | 177.1 | -170.4 | 75.6 | 0 | 0 | 0 | 112 | M55 Y120 L280 Y281 F282 F286 L287 I288 | M55-N284 WeakPolarHBondContact CB-OD1 3.36Å; M55-N284 HydrophobicContact CE-CB 4.31Å; M55-N284 VanDerWaalsContact CG-OD1 3.32Å; M55-N284 WeakPolarHBondContact CG-OD1 3.29Å; Y120-N284 VanDerWaalsContact OH-CG 3.23Å; Y120-N284 PolarHBondContact OH-ND2 3.44Å; Y120-N284 PolarHBondContact OH-OD1 2.93Å; L280-N284 VanDerWaalsContact O-CB 3.27Å; L280-N284 WeakPolarHBondContact O-CB 3.34Å; L280-N284 PolarHBondContact O-N 2.8Å; Y281-N284 WeakPolarHBondContact O-CB 3.45Å; Y281-N284 PolarHBondContact O-N 2.86Å; F282-N284 VanDerWaalsContact C-N 3.29Å; F282-N284 PolarHBondContact O-N 3.31Å; N284-F286 VanDerWaalsContact C-N 3.3Å; N284-F286 PolarHBondContact O-N 3.34Å; N284-L287 PolarHBondContact O-N 3.25Å; N284-I288 WeakPolarHBondContact ND2-CD1 3.44Å; N284-I288 WeakPolarHBondContact O-CG1 3.29Å; N284-I288 PolarHBondContact O-N 2.92Å |
| 285 | S | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 176.9 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | W252 Y281 F282 I288 A289 D309 W314 | W252-S285 VanDerWaalsContact NE1-CB 3.33Å; W252-S285 PolarHBondContact NE1-OG 3Å; Y281-S285 PolarHBondContact O-N 2.65Å; Y281-S285 PolarHBondContact O-OG 2.92Å; F282-S285 PolarHBondContact O-N 3.35Å; S285-I288 PolarHBondContact O-N 2.88Å; S285-A289 WeakPolarHBondContact O-CB 3.32Å; S285-A289 PolarHBondContact O-N 2.98Å; S285-D309 WeakPolarHBondContact CA-OD2 3.45Å; S285-D309 WeakPolarHBondContact CB-OD2 3.44Å; S285-D309 PolarHBondContact OG-OD1 3.47Å; S285-D309 PolarHBondContact OG-OD2 2.92Å; S285-W314 WeakPolarHBondContact O-CZ2 3.44Å |
| 286 | F | 89.3 | Confident | 85.9 | Confident | 21 Ų | 21 | 19.9 Ų | 19.9 | 9% | 0.092 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.4 | 177.3 | -91.1 | 0 | 0 | 0 | 112.3 | M189 I192 L193 F248 F282 V283 N284 A289 T290 | M189-F286 HydrophobicContact CE-CB 3.55Å; M189-F286 HydrophobicContact CE-CD1 3.36Å; M189-F286 HydrophobicContact CE-CD2 3.63Å; M189-F286 HydrophobicContact CE-CE1 3.88Å; M189-F286 HydrophobicContact CE-CE2 4.12Å; M189-F286 HydrophobicContact CE-CG 3.21Å; M189-F286 HydrophobicContact CE-CZ 4.22Å; M189-F286 HydrophobicContact SD-CD1 3.52Å; M189-F286 VanDerWaalsContact SD-CD1 3.52Å; M189-F286 HydrophobicContact SD-CD2 4.27Å; M189-F286 HydrophobicContact SD-CE1 3.42Å; M189-F286 WeakPolarHBondContact SD-CE1 3.44Å; M189-F286 HydrophobicContact SD-CE2 4.18Å; M189-F286 HydrophobicContact SD-CG 3.95Å; M189-F286 HydrophobicContact SD-CZ 3.76Å; I192-F286 HydrophobicContact CB-CZ 4.38Å; I192-F286 HydrophobicContact CD1-CZ 4.4Å; I192-F286 HydrophobicContact CG2-CE2 4.15Å; I192-F286 HydrophobicContact CG2-CZ 3.87Å; L193-F286 HydrophobicContact CD2-CD2 4.12Å; L193-F286 HydrophobicContact CD2-CE2 4.08Å; L193-F286 HydrophobicContact CG-CD2 4.42Å; L193-F286 HydrophobicContact CG-CE2 4.18Å; F248-F286 HydrophobicContact CE2-CB 3.98Å; F248-F286 HydrophobicContact CZ-CB 4.18Å; F248-F286 HydrophobicContact CZ-CD2 4.45Å; F282-F286 PolarHBondContact O-N 3.35Å; V283-F286 PolarHBondContact O-N 3.07Å; N284-F286 VanDerWaalsContact C-N 3.3Å; N284-F286 PolarHBondContact O-N 3.34Å; F286-A289 PolarHBondContact O-N 3.49Å; F286-T290 WeakPolarHBondContact O-CB 3.36Å; F286-T290 PolarHBondContact O-N 2.67Å; F286-T290 PolarHBondContact O-OG1 2.96Å |
| 287 | L | 88 | Confident | 84.8 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.1 | -44 | 176.7 | -74.3 | 174.8 | 0 | 0 | 0 | 111.5 | F113 A116 C117 Y120 V283 N284 A289 T290 V291 | F113-L287 HydrophobicContact CD2-CD1 4.32Å; F113-L287 HydrophobicContact CD2-CD2 4.37Å; F113-L287 HydrophobicContact CE2-CD1 4.31Å; F113-L287 HydrophobicContact CE2-CD2 3.61Å; F113-L287 HydrophobicContact CE2-CG 4.11Å; F113-L287 HydrophobicContact CZ-CD2 3.78Å; A116-L287 HydrophobicContact CB-CD1 3.76Å; C117-L287 HydrophobicContact CB-CD2 4.45Å; Y120-L287 HydrophobicContact CD2-CB 3.99Å; Y120-L287 HydrophobicContact CD2-CD1 4.31Å; Y120-L287 HydrophobicContact CE2-CB 4.17Å; Y120-L287 HydrophobicContact CE2-CD1 4.42Å; V283-L287 HydrophobicContact CG1-CD1 4.08Å; V283-L287 HydrophobicContact CG1-CG 4.36Å; V283-L287 WeakPolarHBondContact O-CG 3.18Å; V283-L287 PolarHBondContact O-N 2.96Å; N284-L287 PolarHBondContact O-N 3.25Å; L287-A289 PolarHBondContact O-N 3.3Å; L287-T290 WeakPolarHBondContact O-CB 3.41Å; L287-T290 PolarHBondContact O-N 3.24Å; L287-V291 VanDerWaalsContact O-CG2 3.28Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.3Å |
| 288 | I | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.5 | -47.6 | 176.1 | -68.9 | 169.5 | 0 | 0 | 0 | 110.7 | Y120 N284 S285 T290 V291 Y292 P307 D309 | Y120-I288 HydrophobicContact CD1-CG1 4.25Å; Y120-I288 HydrophobicContact CE1-CD1 4.1Å; Y120-I288 HydrophobicContact CE1-CG1 3.6Å; Y120-I288 HydrophobicContact CE2-CG1 4.28Å; N284-I288 WeakPolarHBondContact ND2-CD1 3.44Å; N284-I288 WeakPolarHBondContact O-CG1 3.29Å; N284-I288 PolarHBondContact O-N 2.92Å; S285-I288 PolarHBondContact O-N 2.88Å; I288-T290 VanDerWaalsContact C-N 3.3Å; I288-T290 PolarHBondContact O-N 2.9Å; I288-V291 PolarHBondContact O-N 3.43Å; I288-Y292 HydrophobicContact CG2-CD2 3.84Å; I288-Y292 HydrophobicContact CG2-CE1 4.5Å; I288-Y292 HydrophobicContact CG2-CE2 3.27Å; I288-Y292 WeakPolarHBondContact O-CD2 3.2Å; I288-Y292 PolarHBondContact O-N 3.27Å; I288-P307 HydrophobicContact CG1-CB 4.38Å; I288-P307 HydrophobicContact CG2-CG 4.31Å; I288-D309 HydrophobicContact CD1-CB 3.83Å |
| 289 | A | 86.1 | Confident | 82.2 | Confident | 12 Ų | 12 | 30.2 Ų | 30.2 | 10% | 0.099 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.4 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 S285 F286 L287 Y292 W293 W314 | L244-A289 WeakPolarHBondContact CD1-O 3.12Å; S285-A289 WeakPolarHBondContact O-CB 3.32Å; S285-A289 PolarHBondContact O-N 2.98Å; F286-A289 PolarHBondContact O-N 3.49Å; L287-A289 PolarHBondContact O-N 3.3Å; A289-Y292 PolarHBondContact O-N 3.37Å; A289-W293 WeakPolarHBondContact O-CB 3.31Å; A289-W293 PolarHBondContact O-N 3.42Å; A289-W314 HydrophobicContact CB-CH2 3.6Å; A289-W314 HydrophobicContact CB-CZ2 4.11Å; A289-W314 HydrophobicContact CB-CZ3 4.16Å |
| 290 | T | 86.8 | Confident | 80.3 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 26% | 0.258 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | F286 L287 I288 Y292 W293 F294 | F286-T290 WeakPolarHBondContact O-CB 3.36Å; F286-T290 PolarHBondContact O-N 2.67Å; F286-T290 PolarHBondContact O-OG1 2.96Å; L287-T290 WeakPolarHBondContact O-CB 3.41Å; L287-T290 PolarHBondContact O-N 3.24Å; I288-T290 VanDerWaalsContact C-N 3.3Å; I288-T290 PolarHBondContact O-N 2.9Å; T290-Y292 VanDerWaalsContact C-N 3.34Å; T290-Y292 PolarHBondContact O-N 2.64Å; T290-W293 WeakPolarHBondContact O-CB 3.26Å; T290-W293 PolarHBondContact O-N 3.36Å; T290-F294 HydrophobicContact CG2-CD2 3.67Å; T290-F294 HydrophobicContact CG2-CE2 3.45Å; T290-F294 VanDerWaalsContact CG2-CE2 3.45Å; T290-F294 WeakPolarHBondContact O-CD2 3.34Å; T290-F294 PolarHBondContact O-N 3.22Å |
| 291 | V | 83.9 | Confident | 78.1 | Confident | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | F124 L287 I288 N295 | F124-V291 HydrophobicContact CB-CG1 4Å; F124-V291 HydrophobicContact CD2-CG1 3.72Å; F124-V291 HydrophobicContact CE2-CG1 4.43Å; F124-V291 HydrophobicContact CG-CG1 3.82Å; L287-V291 VanDerWaalsContact O-CG2 3.28Å; L287-V291 WeakPolarHBondContact O-CG2 3.26Å; L287-V291 PolarHBondContact O-N 3.3Å; I288-V291 PolarHBondContact O-N 3.43Å; V291-N295 WeakPolarHBondContact O-CB 3.36Å; V291-N295 PolarHBondContact O-N 3.38Å; V291-N295 VanDerWaalsContact O-N 3.13Å; V291-N295 PolarHBondContact O-ND2 3.32Å |
| 292 | Y | 80.1 | Confident | 75.8 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 172.9 | -69.1 | -28 | 0 | 0 | 0 | 112.4 | F240 L244 I288 A289 T290 N295 C296 L299 L306 P307 W314 F318 | F240-Y292 WeakPolarHBondContact CE1-O 3.49Å; L244-Y292 HydrophobicContact CD2-CD2 4.18Å; I288-Y292 HydrophobicContact CG2-CD2 3.84Å; I288-Y292 HydrophobicContact CG2-CE1 4.5Å; I288-Y292 HydrophobicContact CG2-CE2 3.27Å; I288-Y292 WeakPolarHBondContact O-CD2 3.2Å; I288-Y292 PolarHBondContact O-N 3.27Å; A289-Y292 PolarHBondContact O-N 3.37Å; T290-Y292 VanDerWaalsContact C-N 3.34Å; T290-Y292 PolarHBondContact O-N 2.64Å; Y292-N295 CarbonylContact O-C 3.52Å; Y292-N295 PolarHBondContact O-N 3.09Å; Y292-C296 PolarHBondContact O-N 2.82Å; Y292-L299 HydrophobicContact CD1-CD1 4.1Å; Y292-L299 HydrophobicContact CD1-CD2 4.47Å; Y292-L299 HydrophobicContact CG-CD1 4.41Å; Y292-L306 HydrophobicContact CD1-CD2 3.92Å; Y292-L306 HydrophobicContact CE1-CB 4.35Å; Y292-L306 HydrophobicContact CE1-CD2 3.2Å; Y292-L306 HydrophobicContact CE1-CG 4.36Å; Y292-L306 WeakPolarHBondContact OH-CB 3.19Å; Y292-P307 HydrophobicContact CE1-CG 3.84Å; Y292-P307 WeakPolarHBondContact OH-CD 3.36Å; Y292-P307 WeakPolarHBondContact OH-CG 3.12Å; Y292-P307 PolarHBondContact OH-O 3.35Å; Y292-W314 HydrophobicContact CD2-CD2 4.35Å; Y292-W314 HydrophobicContact CD2-CG 4.35Å; Y292-W314 HydrophobicContact CE2-CB 3.87Å; Y292-W314 AromaticContact CE2-CD1 3.87Å; Y292-W314 HydrophobicContact CE2-CD2 4.07Å; Y292-W314 AromaticContact CE2-CG 3.65Å; Y292-W314 HydrophobicContact CE2-CG 3.65Å; Y292-F318 HydrophobicContact CD1-CZ 4.14Å; Y292-F318 HydrophobicContact CD2-CE2 4.1Å; Y292-F318 AromaticContact CD2-CZ 3.9Å; Y292-F318 HydrophobicContact CD2-CZ 3.9Å; Y292-F318 HydrophobicContact CE1-CZ 4.47Å; Y292-F318 HydrophobicContact CE2-CE2 4.03Å; Y292-F318 HydrophobicContact CE2-CZ 4.23Å; Y292-F318 HydrophobicContact CG-CE2 4.48Å; Y292-F318 AromaticContact CG-CZ 3.87Å; Y292-F318 HydrophobicContact CG-CZ 3.87Å |
| 293 | W | 83.4 | Confident | 73.6 | Confident | 61 Ų | 61 | 60.9 Ų | 60.9 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58 | -51.8 | 179.4 | 175.8 | -121 | 0 | 0 | 0 | 112.4 | K237 F240 L241 L244 A289 T290 N295 C296 | K237-W293 HydrophobicContact CB-CH2 3.4Å; K237-W293 HydrophobicContact CB-CZ2 4.27Å; K237-W293 HydrophobicContact CB-CZ3 3.77Å; K237-W293 HydrophobicContact CD-CH2 4.46Å; K237-W293 HydrophobicContact CG-CH2 3.94Å; K237-W293 HydrophobicContact CG-CZ3 4.03Å; K237-W293 WeakPolarHBondContact O-CH2 3.48Å; K237-W293 WeakPolarHBondContact O-CZ3 3.12Å; F240-W293 HydrophobicContact CB-CZ3 4.39Å; F240-W293 AromaticContact CD1-CE3 3.94Å; F240-W293 HydrophobicContact CD1-CE3 3.94Å; F240-W293 HydrophobicContact CD1-CZ3 4.26Å; L241-W293 HydrophobicContact CB-CD2 4.31Å; L241-W293 HydrophobicContact CB-CE3 3.79Å; L241-W293 HydrophobicContact CB-CH2 3.55Å; L241-W293 HydrophobicContact CB-CZ2 4.1Å; L241-W293 HydrophobicContact CB-CZ3 3.47Å; L241-W293 VanDerWaalsContact CB-CZ3 3.47Å; L241-W293 HydrophobicContact CD1-CD2 4.01Å; L241-W293 HydrophobicContact CD1-CE3 4.19Å; L241-W293 HydrophobicContact CD1-CG 4.35Å; L241-W293 HydrophobicContact CD2-CH2 4.22Å; L241-W293 HydrophobicContact CD2-CZ2 3.98Å; L241-W293 HydrophobicContact CG-CH2 4.38Å; L241-W293 HydrophobicContact CG-CZ2 4.46Å; L241-W293 HydrophobicContact CG-CZ3 4.49Å; L244-W293 HydrophobicContact CD1-CB 4.04Å; A289-W293 WeakPolarHBondContact O-CB 3.31Å; A289-W293 PolarHBondContact O-N 3.42Å; T290-W293 WeakPolarHBondContact O-CB 3.26Å; T290-W293 PolarHBondContact O-N 3.36Å; W293-N295 VanDerWaalsContact C-N 3.28Å; W293-N295 PolarHBondContact O-N 2.99Å; W293-C296 PolarHBondContact O-N 3.15Å |
| 294 | F | 81.5 | Confident | 71.7 | Confident | 135 Ų | 135 | 62.9 Ų | 62.9 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -34.8 | 179.5 | -79.2 | -66.7 | 0 | 0 | 0 | 112.7 | T290 H297 | T290-F294 HydrophobicContact CG2-CD2 3.67Å; T290-F294 HydrophobicContact CG2-CE2 3.45Å; T290-F294 VanDerWaalsContact CG2-CE2 3.45Å; T290-F294 WeakPolarHBondContact O-CD2 3.34Å; T290-F294 PolarHBondContact O-N 3.22Å; F294-H297 PolarHBondContact O-ND1 3.32Å |
| 295 | N | 74.2 | Confident | 69.9 | Low | 30 Ų | 30 | 66.1 Ų | 66.1 | 16% | 0.16 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15.8 | -176.1 | -65.7 | -75.4 | 0 | 0 | 0 | 114.4 | F124 V291 Y292 W293 H297 K298 L299 | F124-N295 HydrophobicContact CD1-CB 4.2Å; F124-N295 HydrophobicContact CE1-CB 3.28Å; F124-N295 VanDerWaalsContact CE1-OD1 3.28Å; F124-N295 WeakPolarHBondContact CE1-OD1 3.47Å; F124-N295 HydrophobicContact CE2-CB 4.07Å; F124-N295 HydrophobicContact CZ-CB 3.2Å; V291-N295 WeakPolarHBondContact O-CB 3.36Å; V291-N295 PolarHBondContact O-N 3.38Å; V291-N295 VanDerWaalsContact O-N 3.13Å; V291-N295 PolarHBondContact O-ND2 3.32Å; Y292-N295 CarbonylContact O-C 3.52Å; Y292-N295 PolarHBondContact O-N 3.09Å; W293-N295 VanDerWaalsContact C-N 3.28Å; W293-N295 PolarHBondContact O-N 2.99Å; N295-H297 PolarHBondContact O-N 2.86Å; N295-K298 PolarHBondContact O-N 2.96Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 3.38Å |
| 296 | C | 71.7 | Confident | 68.6 | Low | 19 Ų | 19 | 69.1 Ų | 69.1 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -28.4 | -175.7 | 71.3 | 0 | 0 | 0 | 0 | 114.3 | K237 F240 Y292 W293 | K237-C296 WeakPolarHBondContact CE-SG 3.41Å; K237-C296 WeakPolarHBondContact CG-SG 3.39Å; F240-C296 HydrophobicContact CD1-CB 3.76Å; F240-C296 HydrophobicContact CE1-CB 4.07Å; Y292-C296 PolarHBondContact O-N 2.82Å; W293-C296 PolarHBondContact O-N 3.15Å |
| 297 | H | 66.4 | Low | 67.2 | Low | 117 Ų | 117 | 69 Ų | 69 | 54% | 0.542 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -28.6 | 178.5 | 61.4 | -75.1 | 0 | 0 | 0 | 113.5 | F294 N295 | F294-H297 PolarHBondContact O-ND1 3.32Å; N295-H297 PolarHBondContact O-N 2.86Å |
| 298 | K | 63.7 | Low | 66.3 | Low | 106 Ų | 106 | 72 Ų | 72 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -13.6 | 178.3 | -68.8 | 173.1 | -177.8 | 175 | 0 | 113 | F124 N295 N300 I304 | F124-K298 HydrophobicContact CE1-CD 4.28Å; N295-K298 PolarHBondContact O-N 2.96Å; K298-N300 VanDerWaalsContact C-N 3.3Å; K298-N300 PolarHBondContact O-N 3.46Å; K298-I304 VanDerWaalsContact O-CD1 3.31Å; K298-I304 WeakPolarHBondContact O-CD1 3.13Å |
| 299 | L | 60.6 | Low | 65.8 | Low | 29 Ų | 29 | 72.3 Ų | 72.3 | 15% | 0.152 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.5 | -174.2 | -64 | 176.3 | 0 | 0 | 0 | 114 | F124 F240 Y292 N295 L301 L306 F318 | F124-L299 HydrophobicContact CE2-CD2 3.9Å; F124-L299 HydrophobicContact CZ-CD2 4.02Å; F240-L299 HydrophobicContact CE1-CD1 4.26Å; F240-L299 HydrophobicContact CZ-CD1 4.06Å; Y292-L299 HydrophobicContact CD1-CD1 4.1Å; Y292-L299 HydrophobicContact CD1-CD2 4.47Å; Y292-L299 HydrophobicContact CG-CD1 4.41Å; N295-L299 WeakPolarHBondContact O-CG 3.38Å; N295-L299 PolarHBondContact O-N 3.38Å; L299-L301 PolarHBondContact O-N 3.5Å; L299-L306 HydrophobicContact CD2-CD2 3.64Å; L299-F318 HydrophobicContact CB-CE1 4.28Å; L299-F318 HydrophobicContact CD1-CE1 3.55Å; L299-F318 HydrophobicContact CD1-CZ 3.87Å; L299-F318 HydrophobicContact CG-CE1 4.39Å |
| 300 | N | 49.9 | Very low | 65.2 | Low | 151 Ų | 151 | 72.1 Ų | 72.1 | 81% | 0.807 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -2.1 | 178.4 | -87.3 | -10.5 | 0 | 0 | 0 | 114.8 | K298 | K298-N300 VanDerWaalsContact C-N 3.3Å; K298-N300 PolarHBondContact O-N 3.46Å |
| 301 | L | 42.2 | Very low | 64.8 | Low | 137 Ų | 137 | 72 Ų | 72 | 72% | 0.717 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -110.3 | 108.1 | 179.3 | -78.1 | 157 | 0 | 0 | 0 | 109.9 | L299 D303 | L299-L301 PolarHBondContact O-N 3.5Å; L301-D303 PolarHBondContact O-N 3.18Å |
| 302 | R | 42 | Very low | 64.4 | Low | 238 Ų | 238 | 71.5 Ų | 71.5 | 90% | 0.898 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -30.1 | 123.6 | 159.1 | -136.3 | 173 | -176.8 | -175.6 | -0.3 | 108.8 | ||
| 303 | D | 43.9 | Very low | 64.1 | Low | 148 Ų | 148 | 74.2 Ų | 74.2 | 79% | 0.791 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 32.7 | 174.3 | -49.2 | -36.6 | 0 | 0 | 0 | 119.6 | L301 | L301-D303 PolarHBondContact O-N 3.18Š|
| 304 | I | 48.4 | Very low | 63.5 | Low | 44 Ų | 44 | 71.9 Ų | 71.9 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | trans | -87.2 | 125.9 | 153.8 | -56.2 | 176.5 | 0 | 0 | 0 | 107.9 | K298 L306 | K298-I304 VanDerWaalsContact O-CD1 3.31Å; K298-I304 WeakPolarHBondContact O-CD1 3.13Å; I304-L306 WeakPolarHBondContact O-CG 3.48Å; I304-L306 PolarHBondContact O-N 3.15Å | ||
| 305 | G | 52.8 | Low | 62.7 | Low | 74 Ų | 74 | 71.8 Ų | 71.8 | 76% | 0.763 | 37% | 0.366 | S | S | * | . | trans | -62.4 | 77 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 306 | L | 59.8 | Low | 62 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | trans | -56.5 | 133.8 | -179.1 | -76.4 | 146.9 | 0 | 0 | 0 | 109.3 | Y292 L299 I304 L308 F318 | Y292-L306 HydrophobicContact CD1-CD2 3.92Å; Y292-L306 HydrophobicContact CE1-CB 4.35Å; Y292-L306 HydrophobicContact CE1-CD2 3.2Å; Y292-L306 HydrophobicContact CE1-CG 4.36Å; Y292-L306 WeakPolarHBondContact OH-CB 3.19Å; L299-L306 HydrophobicContact CD2-CD2 3.64Å; I304-L306 WeakPolarHBondContact O-CG 3.48Å; I304-L306 PolarHBondContact O-N 3.15Å; L306-L308 PolarHBondContact O-N 2.98Å; L306-F318 HydrophobicContact CD2-CE2 4.25Å; L306-F318 HydrophobicContact CD2-CZ 4.2Å | ||
| 307 | P | 61.2 | Low | 61.5 | Low | 20 Ų | 20 | 71.9 Ų | 71.9 | 13% | 0.13 | 37% | 0.369 | C | S | . | . | trans | -54.2 | 113.9 | 174.3 | 18.2 | -30.2 | 0 | 0 | 0 | 110.5 | Y120 I288 Y292 D309 | Y120-P307 HydrophobicContact CD1-CB 4.11Å; Y120-P307 HydrophobicContact CD1-CG 4.47Å; Y120-P307 HydrophobicContact CE1-CB 3.86Å; I288-P307 HydrophobicContact CG1-CB 4.38Å; I288-P307 HydrophobicContact CG2-CG 4.31Å; Y292-P307 HydrophobicContact CE1-CG 3.84Å; Y292-P307 WeakPolarHBondContact OH-CD 3.36Å; Y292-P307 WeakPolarHBondContact OH-CG 3.12Å; Y292-P307 PolarHBondContact OH-O 3.35Å; P307-D309 PolarHBondContact O-N 3.18Å | ||
| 308 | L | 68.5 | Low | 61.1 | Low | 69 Ų | 69 | 69 Ų | 69 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | trans | -75 | 122.9 | 179 | -70.1 | 168.7 | 0 | 0 | 0 | 109.2 | N49 T50 L306 | N49-L308 VanDerWaalsContact O-CD1 3.25Å; N49-L308 WeakPolarHBondContact O-CD1 3.1Å; T50-L308 HydrophobicContact CG2-CB 4.14Å; L306-L308 PolarHBondContact O-N 2.98Å | ||
| 309 | D | 73.9 | Confident | 60.4 | Low | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.043 | 35% | 0.354 | C | S | . | . | trans | -89.5 | 134.4 | 175 | -173.3 | -49.6 | 0 | 0 | 0 | 110.3 | S285 I288 P307 F311 V312 W314 | S285-D309 WeakPolarHBondContact CA-OD2 3.45Å; S285-D309 WeakPolarHBondContact CB-OD2 3.44Å; S285-D309 PolarHBondContact OG-OD1 3.47Å; S285-D309 PolarHBondContact OG-OD2 2.92Å; I288-D309 HydrophobicContact CD1-CB 3.83Å; P307-D309 PolarHBondContact O-N 3.18Å; D309-F311 VanDerWaalsContact C-N 3.28Å; D309-F311 PolarHBondContact O-N 2.99Å; D309-F311 PolarHBondContact OD1-N 3.28Å; D309-V312 HydrophobicContact CB-CB 4.42Å; D309-V312 WeakPolarHBondContact CB-O 3.49Å; D309-V312 PolarHBondContact OD1-N 2.63Å; D309-W314 VanDerWaalsContact CB-CD1 3.4Å; D309-W314 PolarHBondContact OD2-NE1 3.25Å; D309-W314 VanDerWaalsContact OD2-NE1 3.15Å | ||
| 310 | P | 75.2 | Confident | 59.5 | Low | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.052 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -67.3 | -24.1 | -178.3 | 22.4 | -29.9 | 0 | 0 | 0 | 114.7 | R46 R47 T50 Y281 | R46-P310 HydrophobicContact CB-CB 4.22Å; R46-P310 HydrophobicContact CG-CB 3.53Å; R47-P310 WeakPolarHBondContact CG-O 3.43Å; R47-P310 PolarHBondContact N-O 3.43Å; T50-P310 HydrophobicContact CG2-CB 3.98Å; Y281-P310 HydrophobicContact CD1-CG 3.58Å; Y281-P310 HydrophobicContact CE1-CB 4.35Å; Y281-P310 HydrophobicContact CE1-CG 3.52Å |
| 311 | F | 78.3 | Confident | 58.8 | Low | 39 Ų | 39 | 68.2 Ų | 68.2 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -117.8 | -46.9 | -175.7 | -67.5 | -81.7 | 0 | 0 | 0 | 112.6 | T42 M45 T251 W252 Y281 D309 | T42-F311 HydrophobicContact CG2-CE1 4.48Å; T42-F311 HydrophobicContact CG2-CE2 4.2Å; T42-F311 HydrophobicContact CG2-CZ 3.65Å; T42-F311 WeakPolarHBondContact O-CZ 3.23Å; M45-F311 HydrophobicContact CB-CE1 4.24Å; T251-F311 HydrophobicContact CG2-CB 4.06Å; W252-F311 HydrophobicContact CZ2-CB 4.35Å; W252-F311 HydrophobicContact CZ2-CD2 4.32Å; W252-F311 HydrophobicContact CZ2-CG 4.42Å; Y281-F311 HydrophobicContact CD1-CD2 4.25Å; Y281-F311 AromaticContact CD1-CE2 3.96Å; Y281-F311 HydrophobicContact CD1-CE2 3.96Å; Y281-F311 HydrophobicContact CD2-CD2 4.33Å; Y281-F311 AromaticContact CD2-CE2 3.45Å; Y281-F311 HydrophobicContact CD2-CE2 3.45Å; Y281-F311 VanDerWaalsContact CD2-CE2 3.45Å; Y281-F311 HydrophobicContact CD2-CZ 4.18Å; Y281-F311 HydrophobicContact CE1-CE2 4.32Å; Y281-F311 AromaticContact CE2-CE2 3.79Å; Y281-F311 HydrophobicContact CE2-CE2 3.79Å; Y281-F311 HydrophobicContact CE2-CZ 4.37Å; Y281-F311 AromaticContact CG-CD2 3.97Å; Y281-F311 HydrophobicContact CG-CD2 3.97Å; Y281-F311 AromaticContact CG-CE2 3.52Å; Y281-F311 HydrophobicContact CG-CE2 3.52Å; D309-F311 VanDerWaalsContact C-N 3.28Å; D309-F311 PolarHBondContact O-N 2.99Å; D309-F311 PolarHBondContact OD1-N 3.28Å |
| 312 | V | 73.9 | Confident | 58.2 | Low | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | trans | -85.5 | 123.6 | -176 | -174.4 | 0 | 0 | 0 | 0 | 110.8 | C247 T251 D309 W314 | C247-V312 HydrophobicContact CB-CG1 4.25Å; T251-V312 HydrophobicContact CG2-CG2 4.19Å; D309-V312 HydrophobicContact CB-CB 4.42Å; D309-V312 WeakPolarHBondContact CB-O 3.49Å; D309-V312 PolarHBondContact OD1-N 2.63Å; V312-W314 HydrophobicContact CB-CD2 4.25Å; V312-W314 HydrophobicContact CB-CH2 4.35Å; V312-W314 HydrophobicContact CB-CZ2 3.73Å; V312-W314 HydrophobicContact CG1-CD2 3.66Å; V312-W314 HydrophobicContact CG1-CE3 3.83Å; V312-W314 HydrophobicContact CG1-CG 4.32Å; V312-W314 HydrophobicContact CG1-CH2 3.73Å; V312-W314 HydrophobicContact CG1-CZ2 3.57Å; V312-W314 HydrophobicContact CG1-CZ3 3.86Å; V312-W314 HydrophobicContact CG2-CZ2 4.06Å; V312-W314 PolarHBondContact O-N 2.97Å; V312-W314 VanDerWaalsContact O-N 3.08Å | ||
| 313 | N | 73.9 | Confident | 57.7 | Low | 61 Ų | 61 | 61.3 Ų | 61.3 | 33% | 0.326 | 35% | 0.345 | S | S | . | . | trans | -82.4 | 83.7 | 173.6 | -164.1 | 0.5 | 0 | 0 | 0 | 111.6 | K315 C316 | N313-K315 PolarHBondContact O-N 3.15Å; N313-K315 VanDerWaalsContact O-N 3.1Å; N313-K315 WeakPolarHBondContact OD1-CB 3.4Å; N313-K315 WeakPolarHBondContact OD1-CG 3.37Å; N313-K315 PolarHBondContact OD1-N 3.5Å; N313-C316 PolarHBondContact O-N 2.85Å | ||
| 314 | W | 71.4 | Confident | 57.1 | Low | 11 Ų | 11 | 59.4 Ų | 59.4 | 4% | 0.042 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -17.5 | 179.6 | -58.3 | 110.8 | 0 | 0 | 0 | 114 | L244 C247 F248 S285 A289 Y292 D309 V312 C316 C317 F318 | L244-W314 HydrophobicContact CB-CZ3 4.38Å; L244-W314 HydrophobicContact CD2-CE3 3.61Å; L244-W314 HydrophobicContact CD2-CZ3 3.61Å; C247-W314 HydrophobicContact CB-CE3 4.09Å; C247-W314 HydrophobicContact CB-CZ3 3.89Å; F248-W314 HydrophobicContact CB-CH2 4.03Å; F248-W314 HydrophobicContact CD2-CH2 4.24Å; S285-W314 WeakPolarHBondContact O-CZ2 3.44Å; A289-W314 HydrophobicContact CB-CH2 3.6Å; A289-W314 HydrophobicContact CB-CZ2 4.11Å; A289-W314 HydrophobicContact CB-CZ3 4.16Å; Y292-W314 HydrophobicContact CD2-CD2 4.35Å; Y292-W314 HydrophobicContact CD2-CG 4.35Å; Y292-W314 HydrophobicContact CE2-CB 3.87Å; Y292-W314 AromaticContact CE2-CD1 3.87Å; Y292-W314 HydrophobicContact CE2-CD2 4.07Å; Y292-W314 AromaticContact CE2-CG 3.65Å; Y292-W314 HydrophobicContact CE2-CG 3.65Å; D309-W314 VanDerWaalsContact CB-CD1 3.4Å; D309-W314 PolarHBondContact OD2-NE1 3.25Å; D309-W314 VanDerWaalsContact OD2-NE1 3.15Å; V312-W314 HydrophobicContact CB-CD2 4.25Å; V312-W314 HydrophobicContact CB-CH2 4.35Å; V312-W314 HydrophobicContact CB-CZ2 3.73Å; V312-W314 HydrophobicContact CG1-CD2 3.66Å; V312-W314 HydrophobicContact CG1-CE3 3.83Å; V312-W314 HydrophobicContact CG1-CG 4.32Å; V312-W314 HydrophobicContact CG1-CH2 3.73Å; V312-W314 HydrophobicContact CG1-CZ2 3.57Å; V312-W314 HydrophobicContact CG1-CZ3 3.86Å; V312-W314 HydrophobicContact CG2-CZ2 4.06Å; V312-W314 PolarHBondContact O-N 2.97Å; V312-W314 VanDerWaalsContact O-N 3.08Å; W314-C316 PolarHBondContact O-N 3.3Å; W314-C317 WeakPolarHBondContact O-CB 3.32Å; W314-C317 PolarHBondContact O-N 3.33Å; W314-C317 PolarHBondContact O-SG 2.83Å; W314-C317 VanDerWaalsContact O-SG 3.39Å; W314-F318 HydrophobicContact CB-CE2 4.09Å; W314-F318 WeakPolarHBondContact O-CD2 3.42Å |
| 315 | K | 64.7 | Low | 56.2 | Low | 133 Ų | 133 | 63 Ų | 63 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.1 | -35.8 | 177.3 | -63.5 | -177 | 177.3 | -177.4 | 0 | 112.1 | N313 C317 F318 I319 | N313-K315 PolarHBondContact O-N 3.15Å; N313-K315 VanDerWaalsContact O-N 3.1Å; N313-K315 WeakPolarHBondContact OD1-CB 3.4Å; N313-K315 WeakPolarHBondContact OD1-CG 3.37Å; N313-K315 PolarHBondContact OD1-N 3.5Å; K315-C317 PolarHBondContact O-N 3.29Å; K315-F318 PolarHBondContact O-N 3.42Å; K315-F318 VanDerWaalsContact O-N 3.14Å; K315-I319 HydrophobicContact CB-CD1 4.14Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 2.96Å |
| 316 | C | 59.6 | Low | 55.1 | Low | 50 Ų | 50 | 68 Ų | 68 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -24.2 | 177.2 | -57.8 | 0 | 0 | 0 | 0 | 112.9 | N313 W314 | N313-C316 PolarHBondContact O-N 2.85Å; W314-C316 PolarHBondContact O-N 3.3Å |
| 317 | C | 60.7 | Low | 53.7 | Low | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.014 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -86 | -15.1 | -178.9 | -25.3 | 0 | 0 | 0 | 0 | 112 | K243 C247 W314 K315 | K243-C317 HydrophobicContact CB-CB 4.05Å; K243-C317 WeakPolarHBondContact CD-O 3.33Å; C247-C317 WeakPolarHBondContact CB-SG 3.48Å; C247-C317 WeakPolarHBondContact SG-CB 3.27Å; C247-C317 CovalentContact SG-SG 2.07Å; C247-C317 PolarHBondContact SG-SG 3.27Å; W314-C317 WeakPolarHBondContact O-CB 3.32Å; W314-C317 PolarHBondContact O-N 3.33Å; W314-C317 PolarHBondContact O-SG 2.83Å; W314-C317 VanDerWaalsContact O-SG 3.39Å; K315-C317 PolarHBondContact O-N 3.29Å |
| 318 | F | 58.2 | Low | 52.2 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 24% | 0.241 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -110.5 | -22.2 | -174.8 | -66.5 | -70 | 0 | 0 | 0 | 115.7 | F240 Y292 L299 L306 W314 K315 P320 | F240-F318 HydrophobicContact CD2-CE1 4.48Å; F240-F318 HydrophobicContact CE1-CE1 4.47Å; F240-F318 AromaticContact CE2-CD1 3.8Å; F240-F318 HydrophobicContact CE2-CD1 3.8Å; F240-F318 AromaticContact CE2-CE1 3.26Å; F240-F318 HydrophobicContact CE2-CE1 3.26Å; F240-F318 AromaticContact CE2-CZ 3.8Å; F240-F318 HydrophobicContact CE2-CZ 3.8Å; F240-F318 HydrophobicContact CZ-CD1 4.25Å; F240-F318 AromaticContact CZ-CE1 3.26Å; F240-F318 HydrophobicContact CZ-CE1 3.26Å; F240-F318 AromaticContact CZ-CZ 3.51Å; F240-F318 HydrophobicContact CZ-CZ 3.51Å; Y292-F318 HydrophobicContact CD1-CZ 4.14Å; Y292-F318 HydrophobicContact CD2-CE2 4.1Å; Y292-F318 AromaticContact CD2-CZ 3.9Å; Y292-F318 HydrophobicContact CD2-CZ 3.9Å; Y292-F318 HydrophobicContact CE1-CZ 4.47Å; Y292-F318 HydrophobicContact CE2-CE2 4.03Å; Y292-F318 HydrophobicContact CE2-CZ 4.23Å; Y292-F318 HydrophobicContact CG-CE2 4.48Å; Y292-F318 AromaticContact CG-CZ 3.87Å; Y292-F318 HydrophobicContact CG-CZ 3.87Å; L299-F318 HydrophobicContact CB-CE1 4.28Å; L299-F318 HydrophobicContact CD1-CE1 3.55Å; L299-F318 HydrophobicContact CD1-CZ 3.87Å; L299-F318 HydrophobicContact CG-CE1 4.39Å; L306-F318 HydrophobicContact CD2-CE2 4.25Å; L306-F318 HydrophobicContact CD2-CZ 4.2Å; W314-F318 HydrophobicContact CB-CE2 4.09Å; W314-F318 WeakPolarHBondContact O-CD2 3.42Å; K315-F318 PolarHBondContact O-N 3.42Å; K315-F318 VanDerWaalsContact O-N 3.14Å; F318-P320 WeakPolarHBondContact O-CD 3.42Å |
| 319 | I | 49.1 | Very low | 50.6 | Low | 87 Ų | 87 | 83.4 Ų | 83.4 | 45% | 0.446 | 44% | 0.438 | S | S | . | . | trans | -83.2 | 112.6 | -177.4 | -60.2 | 162.3 | 0 | 0 | 0 | 108.9 | K315 L321 | K315-I319 HydrophobicContact CB-CD1 4.14Å; K315-I319 WeakPolarHBondContact O-CG1 3.44Å; K315-I319 PolarHBondContact O-N 2.96Å; I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 HydrophobicContact CG2-CB 4.35Å; I319-L321 HydrophobicContact CG2-CD1 3.86Å; I319-L321 HydrophobicContact CG2-CG 3.67Å; I319-L321 PolarHBondContact O-N 3.16Å; I319-L321 VanDerWaalsContact O-N 3.12Å | ||
| 320 | P | 42.2 | Very low | 48.4 | Very low | 88 Ų | 88 | 91.4 Ų | 91.4 | 57% | 0.571 | 48% | 0.475 | S | S | * | . | trans | -70.9 | 99.2 | 153.2 | 30.3 | -28.3 | 0 | 0 | 0 | 105.8 | F318 T322 | F318-P320 WeakPolarHBondContact O-CD 3.42Å; P320-T322 PolarHBondContact O-N 3.47Å | ||
| 321 | L | 33.9 | Very low | 46.2 | Very low | 96 Ų | 96 | 99.9 Ų | 99.9 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | trans | -73.1 | 80.9 | 166 | -94 | 133.2 | 0 | 0 | 0 | 106.3 | I319 I323 | I319-L321 VanDerWaalsContact C-N 3.33Å; I319-L321 HydrophobicContact CG2-CB 4.35Å; I319-L321 HydrophobicContact CG2-CD1 3.86Å; I319-L321 HydrophobicContact CG2-CG 3.67Å; I319-L321 PolarHBondContact O-N 3.16Å; I319-L321 VanDerWaalsContact O-N 3.12Å; L321-I323 PolarHBondContact O-N 2.89Å | ||
| 322 | T | 30.1 | Very low | 44.1 | Very low | 123 Ų | 123 | 104.4 Ų | 104.4 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | trans | -60.1 | 97.1 | 152.7 | 30.8 | 0 | 0 | 0 | 0 | 105.6 | P320 P324 | P320-T322 PolarHBondContact O-N 3.47Å; T322-P324 WeakPolarHBondContact O-CD 3.34Å | ||
| 323 | I | 31 | Very low | 41.9 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 55% | 0.549 | 58% | 0.582 | S | S | . | * | trans | -71.2 | 108 | 158.9 | -61.5 | 167.7 | 0 | 0 | 0 | 104.3 | Y223 L321 N325 | Y223-I323 HydrophobicContact CE2-CD1 4.12Å; L321-I323 PolarHBondContact O-N 2.89Å; I323-N325 PolarHBondContact O-N 2.77Å | ||
| 324 | P | 31.8 | Very low | 39.7 | Very low | 108 Ų | 108 | 113.1 Ų | 113.1 | 70% | 0.701 | 60% | 0.597 | S | S | * | * | trans | -75.2 | 106.7 | 161.8 | 14.4 | 4.6 | 0 | 0 | 0 | 105.1 | T322 | T322-P324 WeakPolarHBondContact O-CD 3.34Š| ||
| 325 | N | 29.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | 63.6 | 107.4 | 156.5 | -61 | -16.5 | 0 | 0 | 0 | 117.6 | I323 E327 | I323-N325 PolarHBondContact O-N 2.77Å; N325-E327 HydrophobicContact CB-CB 4.14Å; N325-E327 PolarHBondContact O-N 3.35Å | ||
| 326 | L | 30.6 | Very low | 35.6 | Very low | 179 Ų | 179 | 120.5 Ų | 120.5 | 94% | 0.937 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -69 | 50.3 | 140.3 | -167 | 86.3 | 0 | 0 | 0 | 109.9 | ||
| 327 | E | 29.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 124.8 Ų | 124.8 | 71% | 0.706 | 66% | 0.657 | S | S | * | * | trans | -137.6 | 92.5 | 167.2 | -75.5 | -175.9 | 167.5 | 0 | 0 | 106.2 | N325 I329 | N325-E327 HydrophobicContact CB-CB 4.14Å; N325-E327 PolarHBondContact O-N 3.35Å; E327-I329 PolarHBondContact O-N 3.21Å | ||
| 328 | Q | 30.9 | Very low | 32.5 | Very low | 185 Ų | 185 | 134 Ų | 134 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | trans | -35.5 | 113.9 | 134.6 | -109.2 | 174 | -8.4 | 0 | 0 | 106.8 | ||||
| 329 | I | 34.1 | Very low | 31.2 | Very low | 138 Ų | 138 | 138 Ų | 138 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | -172.5 | 115.7 | 66 | -81 | 138.3 | 0 | 0 | 0 | 106.2 | E327 | E327-I329 PolarHBondContact O-N 3.21Š| |||
| 330 | E | 27.9 | Very low | 30.3 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | 169.8 | 112.6 | 129.8 | -99.6 | 168.1 | -175.2 | 0 | 0 | 112.4 | |||||
| 331 | K | 28.1 | Very low | 29.6 | Very low | 187 Ų | 187 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 41.5 | 133.3 | 150.6 | -67.2 | 179.3 | -179.6 | 172.5 | 0 | 121.2 | ||||
| 332 | P | 33.9 | Very low | 29.4 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | trans | -79.2 | 133 | 172.9 | 34.9 | -31 | 0 | 0 | 0 | 110.5 | ||||
| 333 | I | 29.6 | Very low | 29.3 | Very low | 158 Ų | 158 | 147.8 Ų | 147.8 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -134.6 | 122.7 | 164.7 | -53.8 | 172.8 | 0 | 0 | 0 | 102.9 | ||||
| 334 | S | 26.8 | Very low | 29.2 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | cis | -171.6 | 132.3 | 6.4 | 42.8 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 335 | I | 25.5 | Very low | 29 | Very low | 152 Ų | 152 | 153.6 Ų | 153.6 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | 46.3 | 129.4 | 106.3 | -58.4 | 172.8 | 0 | 0 | 0 | 112.7 | |||||
| 336 | M | 24 | Very low | 29 | Very low | 147 Ų | 147 | 156.2 Ų | 156.2 | 72% | 0.724 | 82% | 0.823 | S | S | * | * | cis | 175.2 | 165.3 | -5.4 | -154.4 | -159.5 | -48.5 | 0 | 0 | 105.3 | ||||
| 337 | I | 22.9 | Very low | 28.9 | Very low | 140 Ų | 140 | 154.3 Ų | 154.3 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | 75 | 128.7 | 154.5 | -49.5 | 146.7 | 0 | 0 | 0 | 114.9 | ||||
| 338 | C | 33.3 | Very low | 28.8 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 100% | 1.318 | 82% | 0.823 | S | S | * | * | cis | -145.6 | 0 | 31 | -131.3 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 338 of 338 residues in 63.3 ms
(Link to these results)