| 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 | 33.8 | Very low | 39.7 | Very low | 242 Ų | 242 | 148.5 Ų | 148.5 | 100% | 1.192 | 76% | 0.763 | S | S | * | * | 0 | 108.5 | 0 | -70.4 | -176.9 | -162.4 | 0 | 0 | 108.6 | K3 | M1-K3 PolarHBondContact O-N 2.92Š| |||
| 2 | L | 35.3 | Very low | 40.6 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 72% | 0.724 | S | S | * | * | trans | -74.4 | 117 | 163.1 | -102.7 | 101.9 | 0 | 0 | 0 | 107.5 | L4 | L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 HydrophobicContact CB-CD1 4.33Å; L2-L4 HydrophobicContact CD2-CD1 4.2Å; L2-L4 PolarHBondContact O-N 3.47Å | ||
| 3 | K | 32.6 | Very low | 41.5 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | trans | -73.4 | 83.8 | 168.5 | -79.3 | -177.3 | 176 | 179 | 0 | 108.5 | M1 S5 | M1-K3 PolarHBondContact O-N 2.92Å; K3-S5 PolarHBondContact O-N 3.24Å | ||
| 4 | L | 42.7 | Very low | 43.1 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 62% | 0.618 | 68% | 0.683 | S | S | * | * | trans | -85.4 | 103 | 166.5 | -92.5 | 140.3 | 0 | 0 | 0 | 108.2 | L2 L6 | L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 HydrophobicContact CB-CD1 4.33Å; L2-L4 HydrophobicContact CD2-CD1 4.2Å; L2-L4 PolarHBondContact O-N 3.47Å; L4-L6 HydrophobicContact CB-CD1 4.19Å; L4-L6 HydrophobicContact CD2-CD1 3.71Å; L4-L6 HydrophobicContact CD2-CG 4.1Å; L4-L6 HydrophobicContact CG-CD1 4.44Å; L4-L6 PolarHBondContact O-N 3.01Å | ||
| 5 | S | 37.4 | Very low | 44.6 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | -74.7 | 67.7 | 165.7 | 69.6 | 0 | 0 | 0 | 0 | 109.5 | K3 R7 | K3-S5 PolarHBondContact O-N 3.24Å; S5-R7 PolarHBondContact O-N 3.13Å | ||
| 6 | L | 43.3 | Very low | 46.2 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | trans | -82.6 | 109.5 | 172 | -90.9 | 156.5 | 0 | 0 | 0 | 108.2 | L4 L8 | L4-L6 HydrophobicContact CB-CD1 4.19Å; L4-L6 HydrophobicContact CD2-CD1 3.71Å; L4-L6 HydrophobicContact CD2-CG 4.1Å; L4-L6 HydrophobicContact CG-CD1 4.44Å; L4-L6 PolarHBondContact O-N 3.01Å; L6-L8 PolarHBondContact O-N 3.01Å | ||
| 7 | R | 38.2 | Very low | 47.9 | Very low | 219 Ų | 219 | 124.6 Ų | 124.6 | 83% | 0.826 | 65% | 0.647 | S | S | * | * | trans | -61.7 | 120.5 | 164 | -77.7 | -175.1 | 178 | -172.1 | -0.2 | 107.8 | S5 T9 N12 | S5-R7 PolarHBondContact O-N 3.13Å; R7-T9 PolarHBondContact O-N 3.43Å; R7-N12 PolarHBondContact O-ND2 3.42Å; R7-N12 VanDerWaalsContact O-ND2 3.13Å | ||
| 8 | L | 36.2 | Very low | 49.4 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 66% | 0.66 | 63% | 0.633 | S | S | * | * | trans | -65.7 | 99.8 | 173.6 | -75.2 | 160.3 | 0 | 0 | 0 | 108.7 | L6 F16 | L6-L8 PolarHBondContact O-N 3.01Å; L8-F16 HydrophobicContact CD2-CB 4.17Å; L8-F16 HydrophobicContact CD2-CD1 4.04Å; L8-F16 HydrophobicContact CD2-CG 4.06Å | ||
| 9 | T | 42.4 | Very low | 50.9 | Low | 77 Ų | 77 | 121.6 Ų | 121.6 | 47% | 0.472 | 62% | 0.623 | S | S | . | * | trans | -97.4 | 160 | 163.8 | 59.8 | 0 | 0 | 0 | 0 | 108.8 | R7 G11 N12 C13 | R7-T9 PolarHBondContact O-N 3.43Å; T9-G11 PolarHBondContact O-N 3.46Å; T9-G11 VanDerWaalsContact O-N 3.11Å; T9-N12 PolarHBondContact O-N 2.9Å; T9-N12 PolarHBondContact OG1-N 3.11Å; T9-N12 PolarHBondContact OG1-ND2 3.11Å; T9-C13 PolarHBondContact O-N 3.22Å; T9-C13 VanDerWaalsContact O-N 3.11Å | ||
| 10 | F | 45.6 | Very low | 52.3 | Low | 211 Ų | 211 | 119.4 Ų | 119.4 | 93% | 0.925 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -52.3 | -33.7 | 176 | -98.5 | -89 | 0 | 0 | 0 | 112.7 | ||
| 11 | G | 49.7 | Very low | 53.6 | Low | 62 Ų | 62 | 118.9 Ų | 118.9 | 64% | 0.639 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.6 | -33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T9 | T9-G11 PolarHBondContact O-N 3.46Å; T9-G11 VanDerWaalsContact O-N 3.11Å |
| 12 | N | 49.5 | Very low | 56 | Low | 55 Ų | 55 | 108.3 Ų | 108.3 | 29% | 0.294 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -81.9 | -15.3 | 178.9 | -71.4 | -17.3 | 0 | 0 | 0 | 113.4 | R7 T9 S14 Y15 F16 | R7-N12 PolarHBondContact O-ND2 3.42Å; R7-N12 VanDerWaalsContact O-ND2 3.13Å; T9-N12 PolarHBondContact O-N 2.9Å; T9-N12 PolarHBondContact OG1-N 3.11Å; T9-N12 PolarHBondContact OG1-ND2 3.11Å; N12-S14 PolarHBondContact O-N 3.39Å; N12-Y15 PolarHBondContact O-N 2.93Å; N12-F16 WeakPolarHBondContact O-CB 3.41Å; N12-F16 PolarHBondContact O-N 3.36Å |
| 13 | C | 53.4 | Low | 58.1 | Low | 62 Ų | 62 | 104.1 Ų | 104.1 | 42% | 0.419 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.8 | -44.5 | -179 | -171.6 | 0 | 0 | 0 | 0 | 111.7 | T9 Y15 F16 C17 | T9-C13 PolarHBondContact O-N 3.22Å; T9-C13 VanDerWaalsContact O-N 3.11Å; C13-Y15 PolarHBondContact O-N 3.17Å; C13-F16 PolarHBondContact O-N 2.91Å; C13-C17 VanDerWaalsContact O-CB 3.29Å; C13-C17 WeakPolarHBondContact O-CB 3.48Å; C13-C17 PolarHBondContact O-N 3.43Å; C13-C17 PolarHBondContact O-SG 2.86Å |
| 14 | S | 63.7 | Low | 60.4 | Low | 65 Ų | 65 | 98.4 Ų | 98.4 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -44.8 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | N12 R18 | N12-S14 PolarHBondContact O-N 3.39Å; S14-R18 WeakPolarHBondContact O-CB 3.5Å; S14-R18 WeakPolarHBondContact O-CG 3.47Å; S14-R18 PolarHBondContact O-N 2.83Å; S14-R18 PolarHBondContact OG-NE 3.42Å |
| 15 | Y | 65.9 | Low | 62.2 | Low | 140 Ų | 140 | 93.3 Ų | 93.3 | 55% | 0.549 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.6 | -45.3 | 178.9 | -176 | -93.2 | 0 | 0 | 0 | 112.2 | N12 C13 R18 L19 | N12-Y15 PolarHBondContact O-N 2.93Å; C13-Y15 PolarHBondContact O-N 3.17Å; Y15-R18 WeakPolarHBondContact O-CB 3.29Å; Y15-R18 PolarHBondContact O-N 2.87Å; Y15-L19 HydrophobicContact CE1-CD1 4.18Å; Y15-L19 PolarHBondContact O-N 3.21Å |
| 16 | F | 70.4 | Confident | 64.2 | Low | 91 Ų | 91 | 91.6 Ų | 91.6 | 40% | 0.399 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65 | -44.7 | 178.5 | -176.5 | -105.8 | 0 | 0 | 0 | 112 | L8 N12 C13 R18 L19 I20 | L8-F16 HydrophobicContact CD2-CB 4.17Å; L8-F16 HydrophobicContact CD2-CD1 4.04Å; L8-F16 HydrophobicContact CD2-CG 4.06Å; N12-F16 WeakPolarHBondContact O-CB 3.41Å; N12-F16 PolarHBondContact O-N 3.36Å; C13-F16 PolarHBondContact O-N 2.91Å; F16-R18 VanDerWaalsContact C-N 3.29Å; F16-R18 PolarHBondContact O-N 3.47Å; F16-L19 PolarHBondContact O-N 3.22Å; F16-I20 HydrophobicContact CD1-CD1 3.73Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.2Å; F16-I20 HydrophobicContact CE1-CG1 4.19Å; F16-I20 HydrophobicContact CE2-CD1 4.3Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.53Å; F16-I20 HydrophobicContact CZ-CG1 4.21Å; F16-I20 WeakPolarHBondContact O-CG1 3.28Å; F16-I20 PolarHBondContact O-N 3.43Å |
| 17 | C | 74.3 | Confident | 65.9 | Low | 72 Ų | 72 | 92 Ų | 92 | 49% | 0.486 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 173.7 | -72.6 | 0 | 0 | 0 | 0 | 111.8 | C13 Y21 | C13-C17 VanDerWaalsContact O-CB 3.29Å; C13-C17 WeakPolarHBondContact O-CB 3.48Å; C13-C17 PolarHBondContact O-N 3.43Å; C13-C17 PolarHBondContact O-SG 2.86Å; C17-Y21 VanDerWaalsContact O-CB 3.28Å; C17-Y21 WeakPolarHBondContact O-CB 3.43Å; C17-Y21 PolarHBondContact O-N 3.33Å |
| 18 | R | 74.9 | Confident | 67.7 | Low | 107 Ų | 107 | 86 Ų | 86 | 40% | 0.404 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 174 | -74.6 | 171.8 | -172.4 | -110.9 | 3.1 | 112.1 | S14 Y15 F16 Y21 F22 E171 | S14-R18 WeakPolarHBondContact O-CB 3.5Å; S14-R18 WeakPolarHBondContact O-CG 3.47Å; S14-R18 PolarHBondContact O-N 2.83Å; S14-R18 PolarHBondContact OG-NE 3.42Å; Y15-R18 WeakPolarHBondContact O-CB 3.29Å; Y15-R18 PolarHBondContact O-N 2.87Å; F16-R18 VanDerWaalsContact C-N 3.29Å; F16-R18 PolarHBondContact O-N 3.47Å; R18-Y21 WeakPolarHBondContact O-CB 3.11Å; R18-Y21 PolarHBondContact O-N 2.89Å; R18-F22 HydrophobicContact CB-CE2 4.46Å; R18-F22 WeakPolarHBondContact O-CD2 3.33Å; R18-F22 PolarHBondContact O-N 3.24Å; R18-E171 IonicContact CZ-OE1 3.96Å; R18-E171 IonicContact NH1-OE1 2.83Å; R18-E171 PolarHBondContact NH1-OE1 3.31Å; R18-E171 IonicContact NH1-OE2 2.9Å; R18-E171 PolarHBondContact NH1-OE2 3.37Å |
| 19 | L | 77.2 | Confident | 69.5 | Low | 84 Ų | 84 | 80 Ų | 80 | 44% | 0.44 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 178.5 | -166.3 | 117.3 | 0 | 0 | 0 | 111.1 | Y15 F16 F22 C23 | Y15-L19 HydrophobicContact CE1-CD1 4.18Å; Y15-L19 PolarHBondContact O-N 3.21Å; F16-L19 PolarHBondContact O-N 3.22Å; L19-F22 PolarHBondContact O-N 2.96Å; L19-C23 WeakPolarHBondContact O-CB 3.31Å; L19-C23 PolarHBondContact O-N 3.28Å; L19-C23 PolarHBondContact O-SG 2.86Å |
| 20 | I | 80.4 | Confident | 70.9 | Confident | 78 Ų | 78 | 81.1 Ų | 81.1 | 40% | 0.4 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 172.9 | -69.3 | 175.3 | 0 | 0 | 0 | 110.5 | F16 F22 C23 V24 | F16-I20 HydrophobicContact CD1-CD1 3.73Å; F16-I20 HydrophobicContact CD1-CG1 4.5Å; F16-I20 HydrophobicContact CE1-CD1 3.2Å; F16-I20 HydrophobicContact CE1-CG1 4.19Å; F16-I20 HydrophobicContact CE2-CD1 4.3Å; F16-I20 HydrophobicContact CG-CD1 4.48Å; F16-I20 HydrophobicContact CZ-CD1 3.53Å; F16-I20 HydrophobicContact CZ-CG1 4.21Å; F16-I20 WeakPolarHBondContact O-CG1 3.28Å; F16-I20 PolarHBondContact O-N 3.43Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 2.91Å; I20-C23 PolarHBondContact O-N 3.36Å; I20-V24 HydrophobicContact CG2-CG2 4.19Å; I20-V24 WeakPolarHBondContact O-CG2 3.12Å; I20-V24 PolarHBondContact O-N 3.47Å |
| 21 | Y | 79.1 | Confident | 72 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 43% | 0.427 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54.8 | -46.3 | 179.1 | 175.4 | -93.6 | 0 | 0 | 0 | 111.7 | C17 R18 V24 Y25 L165 | C17-Y21 VanDerWaalsContact O-CB 3.28Å; C17-Y21 WeakPolarHBondContact O-CB 3.43Å; C17-Y21 PolarHBondContact O-N 3.33Å; R18-Y21 WeakPolarHBondContact O-CB 3.11Å; R18-Y21 PolarHBondContact O-N 2.89Å; Y21-V24 PolarHBondContact O-N 2.94Å; Y21-Y25 VanDerWaalsContact O-CB 3.31Å; Y21-Y25 WeakPolarHBondContact O-CB 3.35Å; Y21-Y25 PolarHBondContact O-N 2.93Å; Y21-L165 HydrophobicContact CE1-CD1 4.03Å |
| 22 | F | 83.2 | Confident | 72.7 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 9% | 0.088 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.5 | -35.9 | 178.8 | -76.8 | -55.6 | 0 | 0 | 0 | 113.3 | R18 L19 I20 Y25 R26 L165 I167 R230 T231 | R18-F22 HydrophobicContact CB-CE2 4.46Å; R18-F22 WeakPolarHBondContact O-CD2 3.33Å; R18-F22 PolarHBondContact O-N 3.24Å; L19-F22 PolarHBondContact O-N 2.96Å; I20-F22 VanDerWaalsContact C-N 3.3Å; I20-F22 PolarHBondContact O-N 2.91Å; F22-Y25 PolarHBondContact O-N 3.16Å; F22-R26 VanDerWaalsContact O-CB 3.26Å; F22-R26 WeakPolarHBondContact O-CB 3.41Å; F22-R26 PolarHBondContact O-N 3.24Å; F22-L165 HydrophobicContact CE1-CD2 3.92Å; F22-I167 HydrophobicContact CE1-CD1 4.41Å; F22-I167 HydrophobicContact CZ-CD1 3.81Å; F22-R230 WeakPolarHBondContact CB-O 3.21Å; F22-R230 HydrophobicContact CD1-CB 3.73Å; F22-R230 HydrophobicContact CD2-CB 4.36Å; F22-R230 HydrophobicContact CD2-CG 4.33Å; F22-R230 HydrophobicContact CE1-CB 3.99Å; F22-R230 HydrophobicContact CE2-CG 4.45Å; F22-R230 HydrophobicContact CG-CB 3.95Å; F22-R230 HydrophobicContact CG-CG 4.39Å; F22-R230 HydrophobicContact CZ-CB 4.43Å; F22-T231 HydrophobicContact CD1-CG2 4.01Å; F22-T231 HydrophobicContact CE1-CG2 4.1Å |
| 23 | C | 79.6 | Confident | 73.1 | Confident | 69 Ų | 69 | 78.4 Ų | 78.4 | 47% | 0.466 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 170.2 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | L19 I20 R26 E27 | L19-C23 WeakPolarHBondContact O-CB 3.31Å; L19-C23 PolarHBondContact O-N 3.28Å; L19-C23 PolarHBondContact O-SG 2.86Å; I20-C23 PolarHBondContact O-N 3.36Å; C23-R26 PolarHBondContact O-N 2.91Å; C23-E27 PolarHBondContact O-N 3.29Å |
| 24 | V | 80.9 | Confident | 73.4 | Confident | 90 Ų | 90 | 82 Ų | 82 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | I20 Y21 R26 E27 R28 | I20-V24 HydrophobicContact CG2-CG2 4.19Å; I20-V24 WeakPolarHBondContact O-CG2 3.12Å; I20-V24 PolarHBondContact O-N 3.47Å; Y21-V24 PolarHBondContact O-N 2.94Å; V24-R26 PolarHBondContact O-N 2.68Å; V24-E27 PolarHBondContact O-N 3.4Å; V24-R28 WeakPolarHBondContact O-CB 3.34Å; V24-R28 PolarHBondContact O-N 3.44Å |
| 25 | Y | 80.3 | Confident | 73.7 | Confident | 12 Ų | 12 | 83 Ų | 83 | 5% | 0.047 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 176.7 | -170.1 | -85.8 | 0 | 0 | 0 | 111.1 | Y21 F22 R28 C29 S104 I105 I106 L165 T231 | Y21-Y25 VanDerWaalsContact O-CB 3.31Å; Y21-Y25 WeakPolarHBondContact O-CB 3.35Å; Y21-Y25 PolarHBondContact O-N 2.93Å; F22-Y25 PolarHBondContact O-N 3.16Å; Y25-R28 WeakPolarHBondContact O-CB 3.44Å; Y25-R28 PolarHBondContact O-N 2.92Å; Y25-C29 WeakPolarHBondContact CE1-SG 3.31Å; Y25-C29 PolarHBondContact O-N 3.27Å; Y25-C29 PolarHBondContact O-SG 3.13Å; Y25-S104 WeakPolarHBondContact OH-CB 3.3Å; Y25-I105 PolarHBondContact OH-O 2.91Å; Y25-I106 HydrophobicContact CE1-CD1 4.26Å; Y25-I106 HydrophobicContact CE1-CG1 4.4Å; Y25-I106 WeakPolarHBondContact OH-CG1 3.35Å; Y25-L165 HydrophobicContact CE2-CB 4.03Å; Y25-T231 HydrophobicContact CD1-CG2 3.81Å; Y25-T231 HydrophobicContact CE1-CG2 3.85Å |
| 26 | R | 80.3 | Confident | 74.2 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 178.2 | -175.5 | 177 | 179.4 | 172.6 | 1.6 | 112.2 | F22 C23 V24 R28 C29 Q30 | F22-R26 VanDerWaalsContact O-CB 3.26Å; F22-R26 WeakPolarHBondContact O-CB 3.41Å; F22-R26 PolarHBondContact O-N 3.24Å; C23-R26 PolarHBondContact O-N 2.91Å; V24-R26 PolarHBondContact O-N 2.68Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.49Å; R26-C29 PolarHBondContact O-N 2.87Å; R26-Q30 WeakPolarHBondContact O-CG 3.33Å; R26-Q30 PolarHBondContact O-N 2.91Å |
| 27 | E | 79.1 | Confident | 75.1 | Confident | 96 Ų | 96 | 74.8 Ų | 74.8 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 174.6 | -79.3 | -167.2 | -162.7 | 0 | 0 | 111.5 | C23 V24 Q30 R31 | C23-E27 PolarHBondContact O-N 3.29Å; V24-E27 PolarHBondContact O-N 3.4Å; E27-Q30 PolarHBondContact O-N 3.28Å; E27-R31 WeakPolarHBondContact O-CG 3.33Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE2-CZ 3.8Å; E27-R31 IonicContact OE2-NH2 2.83Å; E27-R31 PolarHBondContact OE2-NH2 2.83Å |
| 28 | R | 76.4 | Confident | 75.8 | Confident | 92 Ų | 92 | 71.6 Ų | 71.6 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 175.8 | -174.9 | -174.1 | -174.3 | 165.6 | 11.4 | 111.7 | V24 Y25 R26 Q30 R31 L32 P162 | V24-R28 WeakPolarHBondContact O-CB 3.34Å; V24-R28 PolarHBondContact O-N 3.44Å; Y25-R28 WeakPolarHBondContact O-CB 3.44Å; Y25-R28 PolarHBondContact O-N 2.92Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.49Å; R28-Q30 PolarHBondContact O-N 2.98Å; R28-R31 PolarHBondContact O-N 3.21Å; R28-L32 HydrophobicContact CG-CD1 4.03Å; R28-L32 HydrophobicContact CG-CG 4.44Å; R28-L32 VanDerWaalsContact O-CG 3.3Å; R28-L32 WeakPolarHBondContact O-CG 3.27Å; R28-L32 PolarHBondContact O-N 3.25Å; R28-P162 VanDerWaalsContact CZ-CB 3.45Å |
| 29 | C | 73.2 | Confident | 76.7 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -55.5 | -42 | 175.4 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | Y25 R26 A33 P70 P71 C72 S104 | Y25-C29 WeakPolarHBondContact CE1-SG 3.31Å; Y25-C29 PolarHBondContact O-N 3.27Å; Y25-C29 PolarHBondContact O-SG 3.13Å; R26-C29 PolarHBondContact O-N 2.87Å; C29-A33 PolarHBondContact O-N 3.27Å; C29-P70 HydrophobicContact CB-CB 4.31Å; C29-P71 WeakPolarHBondContact O-CD 3.36Å; C29-C72 HydrophobicContact CB-CB 4.3Å; C29-S104 WeakPolarHBondContact SG-CB 3.26Å; C29-S104 PolarHBondContact SG-OG 2.74Å |
| 30 | Q | 71.7 | Confident | 77.4 | Confident | 100 Ų | 100 | 67.9 Ų | 67.9 | 47% | 0.467 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 179.1 | -71.8 | 175.7 | -25.5 | 0 | 0 | 112.7 | R26 E27 R28 A33 | R26-Q30 WeakPolarHBondContact O-CG 3.33Å; R26-Q30 PolarHBondContact O-N 2.91Å; E27-Q30 PolarHBondContact O-N 3.28Å; R28-Q30 PolarHBondContact O-N 2.98Å; Q30-A33 VanDerWaalsContact O-CB 3.24Å; Q30-A33 WeakPolarHBondContact O-CB 3.38Å; Q30-A33 PolarHBondContact O-N 2.81Å |
| 31 | R | 69.1 | Low | 78 | Confident | 179 Ų | 179 | 64.3 Ų | 64.3 | 68% | 0.675 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | 177.1 | -70.7 | -178.8 | -158.1 | -176 | 8.3 | 112.7 | E27 R28 A33 T34 | E27-R31 WeakPolarHBondContact O-CG 3.33Å; E27-R31 PolarHBondContact O-N 2.87Å; E27-R31 IonicContact OE2-CZ 3.8Å; E27-R31 IonicContact OE2-NH2 2.83Å; E27-R31 PolarHBondContact OE2-NH2 2.83Å; R28-R31 PolarHBondContact O-N 3.21Å; R31-A33 PolarHBondContact O-N 3.41Å; R31-T34 PolarHBondContact O-OG1 2.99Å |
| 32 | L | 64 | Low | 78.7 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.9 | -19.2 | 176.4 | -70.8 | 170.6 | 0 | 0 | 0 | 113 | R28 T34 A35 V36 P71 P162 | R28-L32 HydrophobicContact CG-CD1 4.03Å; R28-L32 HydrophobicContact CG-CG 4.44Å; R28-L32 VanDerWaalsContact O-CG 3.3Å; R28-L32 WeakPolarHBondContact O-CG 3.27Å; R28-L32 PolarHBondContact O-N 3.25Å; L32-T34 PolarHBondContact O-N 3.37Å; L32-T34 VanDerWaalsContact O-N 3.1Å; L32-A35 PolarHBondContact O-N 3.32Å; L32-A35 VanDerWaalsContact O-N 3.08Å; L32-V36 WeakPolarHBondContact O-CG2 3.39Å; L32-V36 PolarHBondContact O-N 3.02Å; L32-P71 HydrophobicContact CB-CG 4.04Å; L32-P162 HydrophobicContact CD1-CG 4.31Å |
| 33 | A | 59.1 | Low | 79.1 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 37% | 0.372 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C29 Q30 R31 P71 | C29-A33 PolarHBondContact O-N 3.27Å; Q30-A33 VanDerWaalsContact O-CB 3.24Å; Q30-A33 WeakPolarHBondContact O-CB 3.38Å; Q30-A33 PolarHBondContact O-N 2.81Å; R31-A33 PolarHBondContact O-N 3.41Å; A33-P71 HydrophobicContact CB-CG 4.44Å |
| 34 | T | 58.4 | Low | 79.7 | Confident | 137 Ų | 137 | 58.9 Ų | 58.9 | 84% | 0.84 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.4 | 178.2 | 56.4 | 0 | 0 | 0 | 0 | 113.9 | R31 L32 | R31-T34 PolarHBondContact O-OG1 2.99Å; L32-T34 PolarHBondContact O-N 3.37Å; L32-T34 VanDerWaalsContact O-N 3.1Å |
| 35 | A | 69.9 | Low | 80.3 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 72% | 0.719 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -14.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L32 | L32-A35 PolarHBondContact O-N 3.32Å; L32-A35 VanDerWaalsContact O-N 3.08Å |
| 36 | V | 77.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 10% | 0.103 | 29% | 0.29 | C | S | . | . | trans | -111.4 | 114.6 | -172 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | L32 I38 P71 R101 F103 | L32-V36 WeakPolarHBondContact O-CG2 3.39Å; L32-V36 PolarHBondContact O-N 3.02Å; V36-I38 HydrophobicContact CG1-CG1 4.33Å; V36-I38 PolarHBondContact O-N 3.26Å; V36-P71 HydrophobicContact CB-CB 4.01Å; V36-P71 HydrophobicContact CB-CG 4.27Å; V36-P71 HydrophobicContact CG1-CB 3.84Å; V36-P71 HydrophobicContact CG2-CB 4.38Å; V36-P71 HydrophobicContact CG2-CG 4.42Å; V36-R101 VanDerWaalsContact CG1-O 3.25Å; V36-R101 WeakPolarHBondContact CG1-O 3.37Å; V36-R101 VanDerWaalsContact CG2-O 3.25Å; V36-R101 WeakPolarHBondContact CG2-O 3.33Å; V36-F103 HydrophobicContact CG1-CD2 3.78Å; V36-F103 HydrophobicContact CG1-CE2 3.48Å; V36-F103 VanDerWaalsContact CG1-CE2 3.48Å; V36-F103 HydrophobicContact CG1-CZ 4.26Å | ||
| 37 | S | 87.4 | Confident | 81.3 | Confident | 42 Ų | 42 | 56.7 Ų | 56.7 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | trans | -77.7 | 100.8 | 166.3 | -178 | 0 | 0 | 0 | 0 | 109.9 | D40 S41 | S37-D40 WeakPolarHBondContact CB-OD2 3.39Å; S37-D40 WeakPolarHBondContact OG-CB 3.34Å; S37-D40 PolarHBondContact OG-N 2.9Å; S37-D40 PolarHBondContact OG-OD2 2.83Å; S37-S41 WeakPolarHBondContact O-CB 3.45Å; S37-S41 PolarHBondContact O-N 2.92Å; S37-S41 VanDerWaalsContact O-N 3.1Å; S37-S41 PolarHBondContact O-OG 3.15Å | ||
| 38 | I | 90.9 | Very high | 81.8 | Confident | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 178.9 | -58.8 | 175.9 | 0 | 0 | 0 | 109.8 | V36 D40 S41 V42 L66 V69 P71 F103 L235 | V36-I38 HydrophobicContact CG1-CG1 4.33Å; V36-I38 PolarHBondContact O-N 3.26Å; I38-D40 PolarHBondContact O-N 2.77Å; I38-S41 PolarHBondContact O-N 3.14Å; I38-V42 HydrophobicContact CG2-CG2 4.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.23Å; I38-V42 PolarHBondContact O-N 2.8Å; I38-L66 HydrophobicContact CB-CB 4.18Å; I38-L66 WeakPolarHBondContact CD1-O 3.19Å; I38-L66 HydrophobicContact CG2-CB 3.71Å; I38-L66 HydrophobicContact CG2-CD1 4.24Å; I38-L66 HydrophobicContact CG2-CD2 4.31Å; I38-L66 HydrophobicContact CG2-CG 4.32Å; I38-V69 HydrophobicContact CD1-CG2 4.17Å; I38-V69 WeakPolarHBondContact CD1-O 3.42Å; I38-P71 HydrophobicContact CD1-CB 3.95Å; I38-P71 HydrophobicContact CG1-CB 3.99Å; I38-F103 HydrophobicContact CB-CZ 4.07Å; I38-F103 HydrophobicContact CG1-CE1 4.3Å; I38-F103 HydrophobicContact CG1-CZ 3.94Å; I38-F103 HydrophobicContact CG2-CE1 4.02Å; I38-F103 HydrophobicContact CG2-CZ 3.79Å; I38-L235 HydrophobicContact CG2-CD1 4.04Å |
| 39 | S | 92.3 | Very high | 82.4 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 112 | S41 V42 Q43 R63 | S39-S41 PolarHBondContact O-N 3.14Å; S39-V42 PolarHBondContact O-N 3.38Å; S39-Q43 PolarHBondContact O-N 3.35Å; S39-R63 WeakPolarHBondContact OG-CB 3.48Å |
| 40 | D | 92.1 | Very high | 83.3 | Confident | 93 Ų | 93 | 50.6 Ų | 50.6 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.6 | -35.7 | -179.1 | -59.1 | -25.8 | 0 | 0 | 0 | 111.8 | S37 I38 V42 Q43 E44 | S37-D40 WeakPolarHBondContact CB-OD2 3.39Å; S37-D40 WeakPolarHBondContact OG-CB 3.34Å; S37-D40 PolarHBondContact OG-N 2.9Å; S37-D40 PolarHBondContact OG-OD2 2.83Å; I38-D40 PolarHBondContact O-N 2.77Å; D40-V42 VanDerWaalsContact C-N 3.34Å; D40-Q43 WeakPolarHBondContact O-CB 3.49Å; D40-Q43 PolarHBondContact O-N 3.29Å; D40-E44 PolarHBondContact O-N 3.05Å |
| 41 | S | 92.8 | Very high | 84.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | S37 I38 S39 L45 | S37-S41 WeakPolarHBondContact O-CB 3.45Å; S37-S41 PolarHBondContact O-N 2.92Å; S37-S41 VanDerWaalsContact O-N 3.1Å; S37-S41 PolarHBondContact O-OG 3.15Å; I38-S41 PolarHBondContact O-N 3.14Å; S39-S41 PolarHBondContact O-N 3.14Å; S41-L45 WeakPolarHBondContact O-CG 3.4Å; S41-L45 PolarHBondContact O-N 3.14Å |
| 42 | V | 93.3 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.4 | -37.3 | 173 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | I38 S39 D40 E44 L45 I46 L66 L264 | I38-V42 HydrophobicContact CG2-CG2 4.44Å; I38-V42 WeakPolarHBondContact O-CG2 3.23Å; I38-V42 PolarHBondContact O-N 2.8Å; S39-V42 PolarHBondContact O-N 3.38Å; D40-V42 VanDerWaalsContact C-N 3.34Å; V42-E44 PolarHBondContact O-N 3.03Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.94Å; V42-I46 HydrophobicContact CG1-CD1 4.1Å; V42-I46 WeakPolarHBondContact O-CG1 3.37Å; V42-I46 PolarHBondContact O-N 3.19Å; V42-L66 HydrophobicContact CB-CD1 4.01Å; V42-L66 HydrophobicContact CG1-CD1 4.21Å; V42-L66 HydrophobicContact CG2-CD1 3.77Å; V42-L264 HydrophobicContact CG1-CD2 3.99Å; V42-L264 HydrophobicContact CG2-CD1 3.81Å; V42-L264 HydrophobicContact CG2-CD2 4.2Å |
| 43 | Q | 92.4 | Very high | 86.9 | Confident | 46 Ų | 46 | 39.1 Ų | 39.1 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 174.3 | -177.1 | 59.6 | 51.7 | 0 | 0 | 111.3 | S39 D40 L45 I46 D47 | S39-Q43 PolarHBondContact O-N 3.35Å; D40-Q43 WeakPolarHBondContact O-CB 3.49Å; D40-Q43 PolarHBondContact O-N 3.29Å; Q43-L45 VanDerWaalsContact C-N 3.27Å; Q43-L45 PolarHBondContact O-N 3Å; Q43-I46 WeakPolarHBondContact O-CA 3.45Å; Q43-I46 WeakPolarHBondContact O-CB 3.2Å; Q43-I46 PolarHBondContact O-N 3.1Å; Q43-D47 VanDerWaalsContact NE2-CG 3.34Å; Q43-D47 PolarHBondContact NE2-OD1 3.33Å; Q43-D47 PolarHBondContact NE2-OD2 3.09Å; Q43-D47 VanDerWaalsContact O-CG 3.31Å; Q43-D47 PolarHBondContact O-N 3.01Å |
| 44 | E | 91.9 | Very high | 88.7 | Confident | 38 Ų | 38 | 37.1 Ų | 37.1 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 176.2 | -171.3 | -170 | 153.9 | 0 | 0 | 111.7 | D40 V42 I46 D47 R48 | D40-E44 PolarHBondContact O-N 3.05Å; V42-E44 PolarHBondContact O-N 3.03Å; E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 2.98Å; E44-D47 PolarHBondContact O-N 3.32Å; E44-R48 WeakPolarHBondContact O-CB 3.45Å; E44-R48 VanDerWaalsContact O-CG 3.32Å; E44-R48 WeakPolarHBondContact O-CG 3.32Å; E44-R48 PolarHBondContact O-N 3.13Å; E44-R48 IonicContact OE1-CZ 3Å; E44-R48 IonicContact OE1-NE 3.37Å; E44-R48 PolarHBondContact OE1-NE 3.38Å; E44-R48 IonicContact OE1-NH2 2.66Å; E44-R48 PolarHBondContact OE1-NH2 3.25Å |
| 45 | L | 94.3 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 175.7 | -65.4 | -176.2 | 0 | 0 | 0 | 112.4 | S41 V42 Q43 G49 L50 V51 T94 L98 L264 | S41-L45 WeakPolarHBondContact O-CG 3.4Å; S41-L45 PolarHBondContact O-N 3.14Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.94Å; Q43-L45 VanDerWaalsContact C-N 3.27Å; Q43-L45 PolarHBondContact O-N 3Å; L45-G49 PolarHBondContact O-N 3.39Å; L45-L50 HydrophobicContact CB-CB 4.31Å; L45-L50 HydrophobicContact CD2-CB 4.16Å; L45-L50 HydrophobicContact CD2-CD1 3.81Å; L45-L50 WeakPolarHBondContact O-CA 3.3Å; L45-L50 WeakPolarHBondContact O-CB 3.24Å; L45-L50 PolarHBondContact O-N 3.37Å; L45-V51 HydrophobicContact CB-CB 4.19Å; L45-V51 HydrophobicContact CB-CG2 3.66Å; L45-V51 HydrophobicContact CD1-CG2 3.93Å; L45-V51 HydrophobicContact CG-CG2 4.45Å; L45-V51 PolarHBondContact O-N 2.94Å; L45-V51 VanDerWaalsContact O-N 3.11Å; L45-T94 HydrophobicContact CD1-CG2 3.93Å; L45-T94 HydrophobicContact CD2-CG2 3.95Å; L45-L98 HydrophobicContact CD1-CD1 3.98Å; L45-L98 HydrophobicContact CD1-CD2 3.88Å; L45-L98 HydrophobicContact CD1-CG 4.04Å; L45-L98 HydrophobicContact CG-CD2 4.4Å; L45-L264 HydrophobicContact CD1-CD1 4.43Å |
| 46 | I | 92.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 29.3 Ų | 29.3 | 17% | 0.169 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67 | -47.1 | 175.1 | -67.6 | 167.1 | 0 | 0 | 0 | 110.2 | V42 Q43 E44 R48 G49 V51 R60 | V42-I46 HydrophobicContact CG1-CD1 4.1Å; V42-I46 WeakPolarHBondContact O-CG1 3.37Å; V42-I46 PolarHBondContact O-N 3.19Å; Q43-I46 WeakPolarHBondContact O-CA 3.45Å; Q43-I46 WeakPolarHBondContact O-CB 3.2Å; Q43-I46 PolarHBondContact O-N 3.1Å; E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 2.98Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 PolarHBondContact O-N 3.37Å; I46-G49 WeakPolarHBondContact O-CA 3.37Å; I46-G49 PolarHBondContact O-N 3.28Å; I46-V51 HydrophobicContact CG1-CB 4.07Å; I46-V51 HydrophobicContact CG1-CG1 4.07Å; I46-R60 HydrophobicContact CD1-CG 4.39Å |
| 47 | D | 89.8 | Confident | 92.3 | Very high | 109 Ų | 109 | 34.3 Ų | 34.3 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -62.6 | -33.2 | -178.6 | -66.2 | -24.1 | 0 | 0 | 0 | 112.4 | Q43 E44 G49 | Q43-D47 VanDerWaalsContact NE2-CG 3.34Å; Q43-D47 PolarHBondContact NE2-OD1 3.33Å; Q43-D47 PolarHBondContact NE2-OD2 3.09Å; Q43-D47 VanDerWaalsContact O-CG 3.31Å; Q43-D47 PolarHBondContact O-N 3.01Å; E44-D47 PolarHBondContact O-N 3.32Å; D47-G49 VanDerWaalsContact C-N 3.25Å; D47-G49 PolarHBondContact O-N 3.49Å |
| 48 | R | 89.4 | Confident | 92.6 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 9% | 0.087 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -11.1 | 173.2 | -71.4 | 177.1 | 178.9 | -88 | 0.2 | 113.9 | E44 I46 L50 R97 L319 | E44-R48 WeakPolarHBondContact O-CB 3.45Å; E44-R48 VanDerWaalsContact O-CG 3.32Å; E44-R48 WeakPolarHBondContact O-CG 3.32Å; E44-R48 PolarHBondContact O-N 3.13Å; E44-R48 IonicContact OE1-CZ 3Å; E44-R48 IonicContact OE1-NE 3.37Å; E44-R48 PolarHBondContact OE1-NE 3.38Å; E44-R48 IonicContact OE1-NH2 2.66Å; E44-R48 PolarHBondContact OE1-NH2 3.25Å; I46-R48 VanDerWaalsContact C-N 3.26Å; I46-R48 PolarHBondContact O-N 3.37Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 HydrophobicContact CB-CD1 4.2Å; R48-L50 HydrophobicContact CB-CG 4.12Å; R48-R97 VanDerWaalsContact CZ-NH1 3.3Å; R48-L319 PolarHBondContact NH1-O 3.5Å; R48-L319 PolarHBondContact NH2-O 2.93Å |
| 49 | G | 88.8 | Confident | 92.7 | Very high | 38 Ų | 38 | 35.2 Ų | 35.2 | 39% | 0.392 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 15.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L45 I46 D47 P267 | L45-G49 PolarHBondContact O-N 3.39Å; I46-G49 WeakPolarHBondContact O-CA 3.37Å; I46-G49 PolarHBondContact O-N 3.28Å; D47-G49 VanDerWaalsContact C-N 3.25Å; D47-G49 PolarHBondContact O-N 3.49Å; G49-P267 WeakPolarHBondContact O-CG 3.49Å |
| 50 | L | 92.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -79.1 | -25.5 | 177.7 | -78.1 | 175.2 | 0 | 0 | 0 | 112.9 | L45 R48 L90 V266 P267 | L45-L50 HydrophobicContact CB-CB 4.31Å; L45-L50 HydrophobicContact CD2-CB 4.16Å; L45-L50 HydrophobicContact CD2-CD1 3.81Å; L45-L50 WeakPolarHBondContact O-CA 3.3Å; L45-L50 WeakPolarHBondContact O-CB 3.24Å; L45-L50 PolarHBondContact O-N 3.37Å; R48-L50 VanDerWaalsContact C-N 3.27Å; R48-L50 HydrophobicContact CB-CD1 4.2Å; R48-L50 HydrophobicContact CB-CG 4.12Å; L50-L90 HydrophobicContact CD2-CD1 3.6Å; L50-V266 VanDerWaalsContact O-CA 3.27Å; L50-V266 WeakPolarHBondContact O-CA 3.32Å; L50-V266 WeakPolarHBondContact O-CB 3.24Å; L50-V266 WeakPolarHBondContact O-CG1 3.28Å; L50-P267 WeakPolarHBondContact O-CD 3.19Å |
| 51 | V | 94.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | trans | -115.7 | 106.7 | 171.3 | 170.6 | 0 | 0 | 0 | 0 | 107.6 | L45 I46 S53 T54 R60 L264 L265 | L45-V51 HydrophobicContact CB-CB 4.19Å; L45-V51 HydrophobicContact CB-CG2 3.66Å; L45-V51 HydrophobicContact CD1-CG2 3.93Å; L45-V51 HydrophobicContact CG-CG2 4.45Å; L45-V51 PolarHBondContact O-N 2.94Å; L45-V51 VanDerWaalsContact O-N 3.11Å; I46-V51 HydrophobicContact CG1-CB 4.07Å; I46-V51 HydrophobicContact CG1-CG1 4.07Å; V51-S53 VanDerWaalsContact CG1-O 3.25Å; V51-S53 WeakPolarHBondContact CG1-O 3.22Å; V51-T54 HydrophobicContact CG1-CG2 3.94Å; V51-R60 PolarHBondContact O-NH2 3.38Å; V51-L264 HydrophobicContact CG2-CB 4.04Å; V51-L265 CarbonylContact C-O 3.58Å; V51-L265 WeakPolarHBondContact CA-O 3.43Å | ||
| 52 | S | 91.5 | Very high | 92.4 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 32% | 0.315 | 24% | 0.238 | S | C | . | . | trans | -91.5 | -24.9 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | R60 L265 | S52-R60 PolarHBondContact O-NH1 3.46Å; S52-R60 PolarHBondContact O-NH2 3.01Å; S52-L265 PolarHBondContact N-O 3.11Å; S52-L265 PolarHBondContact OG-O 3.42Å | ||
| 53 | S | 94.5 | Very high | 92.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 164.7 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | V51 I240 L265 | V51-S53 VanDerWaalsContact CG1-O 3.25Å; V51-S53 WeakPolarHBondContact CG1-O 3.22Å; S53-I240 WeakPolarHBondContact OG-CD1 3.37Å; S53-L265 WeakPolarHBondContact O-CB 3.41Å; S53-L265 PolarHBondContact O-N 2.92Å |
| 54 | T | 96.2 | Very high | 92 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 157.7 | 174.2 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | V51 P56 D57 L59 R60 G263 L264 | V51-T54 HydrophobicContact CG1-CG2 3.94Å; T54-P56 CarbonylContact C-O 3.57Å; T54-P56 CarbonylContact O-C 3.29Å; T54-P56 VanDerWaalsContact O-C 3.32Å; T54-P56 PolarHBondContact OG1-O 2.81Å; T54-P56 VanDerWaalsContact OG1-O 3.05Å; T54-D57 WeakPolarHBondContact O-CA 3.45Å; T54-D57 PolarHBondContact O-N 3.32Å; T54-D57 VanDerWaalsContact O-OD1 3.07Å; T54-D57 PolarHBondContact OG1-O 3.47Å; T54-L59 HydrophobicContact CG2-CD2 4.18Å; T54-R60 HydrophobicContact CG2-CG 3.88Å; T54-G263 CarbonylContact C-O 3.57Å; T54-G263 VanDerWaalsContact CA-O 3.31Å; T54-G263 WeakPolarHBondContact CA-O 3.42Å; T54-L264 HydrophobicContact CG2-CD2 4.12Å |
| 55 | F | 94.6 | Very high | 91.9 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.4 | 167.2 | -173.2 | -94.8 | 0 | 0 | 0 | 110.5 | I246 H247 H250 Y262 G263 L265 | F55-I246 HydrophobicContact CB-CG2 3.77Å; F55-I246 HydrophobicContact CD1-CG2 4.04Å; F55-I246 HydrophobicContact CG-CG2 4.07Å; F55-H247 HydrophobicContact CE1-CB 4.32Å; F55-H247 HydrophobicContact CE2-CB 4.02Å; F55-H247 AromaticContact CE2-CD2 3.25Å; F55-H247 WeakPolarHBondContact CE2-CD2 3.36Å; F55-H247 AromaticContact CE2-CG 3.83Å; F55-H247 HydrophobicContact CZ-CB 3.9Å; F55-H247 AromaticContact CZ-CD2 3.26Å; F55-H247 WeakPolarHBondContact CZ-CD2 3.32Å; F55-H247 AromaticContact CZ-CG 3.56Å; F55-H247 AromaticContact CZ-NE2 3.84Å; F55-H250 HydrophobicContact CD1-CB 4.05Å; F55-H250 HydrophobicContact CE1-CB 3.51Å; F55-H250 AromaticContact CE1-CD2 3.88Å; F55-H250 AromaticContact CE1-CG 3.5Å; F55-H250 AromaticContact CE1-ND1 3.86Å; F55-Y262 CarbonylContact O-C 3.14Å; F55-Y262 VanDerWaalsContact O-CA 3.32Å; F55-Y262 WeakPolarHBondContact O-CA 3.32Å; F55-G263 PolarHBondContact N-O 3.44Å; F55-G263 PolarHBondContact O-N 3.25Å; F55-L265 HydrophobicContact CB-CD2 4.27Å |
| 56 | P | 94.2 | Very high | 91.8 | Very high | 33 Ų | 33 | 49 Ų | 49 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | S | Bend | cis | -60.4 | 162.1 | -12.8 | 29.4 | -36 | 0 | 0 | 0 | 111.7 | T54 T58 L59 | T54-P56 CarbonylContact C-O 3.57Å; T54-P56 CarbonylContact O-C 3.29Å; T54-P56 VanDerWaalsContact O-C 3.32Å; T54-P56 PolarHBondContact OG1-O 2.81Å; T54-P56 VanDerWaalsContact OG1-O 3.05Å; P56-T58 PolarHBondContact O-N 3.33Å; P56-L59 WeakPolarHBondContact O-CB 3.42Å; P56-L59 PolarHBondContact O-N 2.61Å |
| 57 | D | 93.6 | Very high | 91.4 | Very high | 122 Ų | 122 | 52.5 Ų | 52.5 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -60 | -30.9 | 178.3 | -69.8 | -35.8 | 0 | 0 | 0 | 111.8 | T54 L59 R60 | T54-D57 WeakPolarHBondContact O-CA 3.45Å; T54-D57 PolarHBondContact O-N 3.32Å; T54-D57 VanDerWaalsContact O-OD1 3.07Å; T54-D57 PolarHBondContact OG1-O 3.47Å; D57-L59 PolarHBondContact O-N 3.34Å; D57-R60 PolarHBondContact O-N 3.42Å |
| 58 | T | 93.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.6 | -18.9 | 177.3 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | P56 R60 S61 E62 | P56-T58 PolarHBondContact O-N 3.33Å; T58-R60 PolarHBondContact O-N 3.39Å; T58-R60 VanDerWaalsContact O-N 3.09Å; T58-S61 PolarHBondContact O-N 3.18Å; T58-S61 PolarHBondContact O-OG 3.41Å; T58-E62 WeakPolarHBondContact O-CB 3.49Å; T58-E62 WeakPolarHBondContact O-CG 3.4Å; T58-E62 PolarHBondContact O-N 3.26Å; T58-E62 PolarHBondContact OG1-OE2 3.33Å |
| 59 | L | 92.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -57.2 | -29.4 | 179.7 | -175.1 | 64.2 | 0 | 0 | 0 | 112.5 | T54 P56 D57 S61 E62 R63 L66 Y262 L264 | T54-L59 HydrophobicContact CG2-CD2 4.18Å; P56-L59 WeakPolarHBondContact O-CB 3.42Å; P56-L59 PolarHBondContact O-N 2.61Å; D57-L59 PolarHBondContact O-N 3.34Å; L59-S61 PolarHBondContact O-N 2.83Å; L59-E62 CarbonylContact O-C 3.58Å; L59-E62 PolarHBondContact O-N 2.95Å; L59-R63 WeakPolarHBondContact O-CA 3.4Å; L59-R63 WeakPolarHBondContact O-CG 3.42Å; L59-R63 PolarHBondContact O-N 2.85Å; L59-L66 HydrophobicContact CD1-CD1 4.36Å; L59-L66 HydrophobicContact CD1-CD2 3.94Å; L59-L66 HydrophobicContact CD1-CG 3.83Å; L59-L66 HydrophobicContact CD2-CD2 4.21Å; L59-Y262 HydrophobicContact CD1-CD1 3.43Å; L59-Y262 VanDerWaalsContact CD1-CD1 3.43Å; L59-Y262 HydrophobicContact CD1-CE1 3.67Å; L59-Y262 HydrophobicContact CD1-CG 4.13Å; L59-Y262 HydrophobicContact CD2-CD1 3.77Å; L59-Y262 HydrophobicContact CD2-CG 4.06Å; L59-Y262 HydrophobicContact CG-CD1 4.08Å; L59-L264 HydrophobicContact CD2-CD2 4.3Å |
| 60 | R | 89.5 | Confident | 91.4 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -61.5 | -41.3 | 175.5 | -80.4 | 176.8 | 172.7 | -126.6 | -21 | 113.1 | I46 V51 S52 T54 D57 T58 R63 | I46-R60 HydrophobicContact CD1-CG 4.39Å; V51-R60 PolarHBondContact O-NH2 3.38Å; S52-R60 PolarHBondContact O-NH1 3.46Å; S52-R60 PolarHBondContact O-NH2 3.01Å; T54-R60 HydrophobicContact CG2-CG 3.88Å; D57-R60 PolarHBondContact O-N 3.42Å; T58-R60 PolarHBondContact O-N 3.39Å; T58-R60 VanDerWaalsContact O-N 3.09Å; R60-R63 PolarHBondContact O-NH1 3.41Å |
| 61 | S | 90.5 | Very high | 91.4 | Very high | 98 Ų | 98 | 52.8 Ų | 52.8 | 69% | 0.685 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -24.7 | 175.5 | 44.7 | 0 | 0 | 0 | 0 | 112.4 | T58 L59 | T58-S61 PolarHBondContact O-N 3.18Å; T58-S61 PolarHBondContact O-OG 3.41Å; L59-S61 PolarHBondContact O-N 2.83Å |
| 62 | E | 91.3 | Very high | 91.4 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | trans | -109.6 | 32 | -173.6 | -60.4 | 174.8 | 169.1 | 0 | 0 | 112.8 | T58 L59 H64 L65 | T58-E62 WeakPolarHBondContact O-CB 3.49Å; T58-E62 WeakPolarHBondContact O-CG 3.4Å; T58-E62 PolarHBondContact O-N 3.26Å; T58-E62 PolarHBondContact OG1-OE2 3.33Å; L59-E62 CarbonylContact O-C 3.58Å; L59-E62 PolarHBondContact O-N 2.95Å; E62-H64 PolarHBondContact O-N 2.9Å; E62-L65 HydrophobicContact CB-CD1 3.73Å; E62-L65 HydrophobicContact CB-CG 4.11Å; E62-L65 VanDerWaalsContact O-CB 3.29Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 VanDerWaalsContact O-CG 3.27Å; E62-L65 WeakPolarHBondContact O-CG 3.22Å; E62-L65 PolarHBondContact O-N 2.91Å | ||
| 63 | R | 88.6 | Confident | 91.6 | Very high | 77 Ų | 77 | 50.5 Ų | 50.5 | 29% | 0.291 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -56.4 | -23.7 | -174.3 | -70.1 | -176.9 | -65.2 | -108.5 | 8.1 | 114.7 | S39 L59 R60 L65 L66 | S39-R63 WeakPolarHBondContact OG-CB 3.48Å; L59-R63 WeakPolarHBondContact O-CA 3.4Å; L59-R63 WeakPolarHBondContact O-CG 3.42Å; L59-R63 PolarHBondContact O-N 2.85Å; R60-R63 PolarHBondContact O-NH1 3.41Å; R63-L65 PolarHBondContact O-N 3.34Å; R63-L65 VanDerWaalsContact O-N 3.13Å; R63-L66 HydrophobicContact CB-CD1 4.42Å; R63-L66 WeakPolarHBondContact O-CB 3.24Å; R63-L66 WeakPolarHBondContact O-CG 3.15Å; R63-L66 PolarHBondContact O-N 3.08Å |
| 64 | H | 87.7 | Confident | 91.8 | Very high | 117 Ų | 117 | 48.9 Ų | 48.9 | 54% | 0.542 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -57.5 | -24.2 | 174.3 | 68.1 | -86 | 0 | 0 | 0 | 112.8 | E62 L66 N67 | E62-H64 PolarHBondContact O-N 2.9Å; H64-L66 PolarHBondContact O-N 3.03Å; H64-N67 WeakPolarHBondContact O-CB 2.98Å; H64-N67 PolarHBondContact O-N 3.48Å; H64-N67 VanDerWaalsContact O-N 3.15Å |
| 65 | L | 90.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.183 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -61.1 | -28.6 | 172.4 | -64.4 | 178.4 | 0 | 0 | 0 | 112.4 | E62 R63 N67 Q68 | E62-L65 HydrophobicContact CB-CD1 3.73Å; E62-L65 HydrophobicContact CB-CG 4.11Å; E62-L65 VanDerWaalsContact O-CB 3.29Å; E62-L65 WeakPolarHBondContact O-CB 3.43Å; E62-L65 VanDerWaalsContact O-CG 3.27Å; E62-L65 WeakPolarHBondContact O-CG 3.22Å; E62-L65 PolarHBondContact O-N 2.91Å; R63-L65 PolarHBondContact O-N 3.34Å; R63-L65 VanDerWaalsContact O-N 3.13Å; L65-N67 PolarHBondContact O-N 2.94Å; L65-Q68 WeakPolarHBondContact O-CB 3.07Å; L65-Q68 PolarHBondContact O-N 3.12Å |
| 66 | L | 91.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -64.3 | -22.2 | 177.1 | -67.1 | 170.7 | 0 | 0 | 0 | 112.8 | I38 V42 L59 R63 H64 Q68 V69 L235 Y262 | I38-L66 HydrophobicContact CB-CB 4.18Å; I38-L66 WeakPolarHBondContact CD1-O 3.19Å; I38-L66 HydrophobicContact CG2-CB 3.71Å; I38-L66 HydrophobicContact CG2-CD1 4.24Å; I38-L66 HydrophobicContact CG2-CD2 4.31Å; I38-L66 HydrophobicContact CG2-CG 4.32Å; V42-L66 HydrophobicContact CB-CD1 4.01Å; V42-L66 HydrophobicContact CG1-CD1 4.21Å; V42-L66 HydrophobicContact CG2-CD1 3.77Å; L59-L66 HydrophobicContact CD1-CD1 4.36Å; L59-L66 HydrophobicContact CD1-CD2 3.94Å; L59-L66 HydrophobicContact CD1-CG 3.83Å; L59-L66 HydrophobicContact CD2-CD2 4.21Å; R63-L66 HydrophobicContact CB-CD1 4.42Å; R63-L66 WeakPolarHBondContact O-CB 3.24Å; R63-L66 WeakPolarHBondContact O-CG 3.15Å; R63-L66 PolarHBondContact O-N 3.08Å; H64-L66 PolarHBondContact O-N 3.03Å; L66-Q68 PolarHBondContact O-N 3.12Å; L66-Q68 VanDerWaalsContact O-N 3.16Å; L66-V69 HydrophobicContact CD2-CG2 4.39Å; L66-V69 VanDerWaalsContact O-CG2 3.22Å; L66-V69 WeakPolarHBondContact O-CG2 3.23Å; L66-V69 PolarHBondContact O-N 3.38Å; L66-L235 HydrophobicContact CD2-CD2 3.75Å; L66-Y262 HydrophobicContact CD2-CD2 4.16Å; L66-Y262 HydrophobicContact CD2-CG 4.17Å |
| 67 | N | 85.2 | Confident | 92.3 | Very high | 105 Ų | 105 | 48.1 Ų | 48.1 | 56% | 0.561 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -68.9 | -11 | 176.3 | -62 | -21.1 | 0 | 0 | 0 | 112.4 | H64 L65 | H64-N67 WeakPolarHBondContact O-CB 2.98Å; H64-N67 PolarHBondContact O-N 3.48Å; H64-N67 VanDerWaalsContact O-N 3.15Å; L65-N67 PolarHBondContact O-N 2.94Å |
| 68 | Q | 85.8 | Confident | 92.3 | Very high | 146 Ų | 146 | 43.9 Ų | 43.9 | 68% | 0.682 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -93 | -5.1 | 178.6 | -54.3 | 179.6 | 20.2 | 0 | 0 | 113.1 | L65 L66 | L65-Q68 WeakPolarHBondContact O-CB 3.07Å; L65-Q68 PolarHBondContact O-N 3.12Å; L66-Q68 PolarHBondContact O-N 3.12Å; L66-Q68 VanDerWaalsContact O-N 3.16Å |
| 69 | V | 90.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -109.3 | 151.5 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 111.4 | I38 L66 L234 L235 Y262 | I38-V69 HydrophobicContact CD1-CG2 4.17Å; I38-V69 WeakPolarHBondContact CD1-O 3.42Å; L66-V69 HydrophobicContact CD2-CG2 4.39Å; L66-V69 VanDerWaalsContact O-CG2 3.22Å; L66-V69 WeakPolarHBondContact O-CG2 3.23Å; L66-V69 PolarHBondContact O-N 3.38Å; V69-L234 HydrophobicContact CB-CB 4.16Å; V69-L234 HydrophobicContact CB-CD1 4.37Å; V69-L234 HydrophobicContact CG1-CB 3.94Å; V69-L234 HydrophobicContact CG1-CD1 3.87Å; V69-L235 HydrophobicContact CG2-CD1 4.26Å; V69-L235 HydrophobicContact CG2-CD2 3.94Å; V69-L235 HydrophobicContact CG2-CG 4.09Å; V69-Y262 HydrophobicContact CG1-CD2 3.97Å; V69-Y262 HydrophobicContact CG1-CE2 3.68Å |
| 70 | P | 90.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | trans | -63.6 | 149.2 | 173.2 | -20 | 32.9 | 0 | 0 | 0 | 111.3 | C29 C72 | C29-P70 HydrophobicContact CB-CB 4.31Å; P70-C72 HydrophobicContact CB-CB 4.4Å; P70-C72 PolarHBondContact O-N 3.22Å | ||
| 71 | P | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -73.5 | 61.8 | 172.8 | 33 | -37.7 | 0 | 0 | 0 | 110.2 | C29 L32 A33 V36 I38 F103 S104 | C29-P71 WeakPolarHBondContact O-CD 3.36Å; L32-P71 HydrophobicContact CB-CG 4.04Å; A33-P71 HydrophobicContact CB-CG 4.44Å; V36-P71 HydrophobicContact CB-CB 4.01Å; V36-P71 HydrophobicContact CB-CG 4.27Å; V36-P71 HydrophobicContact CG1-CB 3.84Å; V36-P71 HydrophobicContact CG2-CB 4.38Å; V36-P71 HydrophobicContact CG2-CG 4.42Å; I38-P71 HydrophobicContact CD1-CB 3.95Å; I38-P71 HydrophobicContact CG1-CB 3.99Å; P71-F103 HydrophobicContact CB-CD1 4.16Å; P71-F103 HydrophobicContact CB-CD2 4.46Å; P71-F103 HydrophobicContact CB-CE1 4.37Å; P71-F103 HydrophobicContact CB-CG 4.22Å; P71-F103 CarbonylContact O-C 3.53Å; P71-F103 VanDerWaalsContact O-CA 3.27Å; P71-F103 WeakPolarHBondContact O-CA 3.37Å; P71-S104 PolarHBondContact O-N 3.37Å |
| 72 | C | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.9 | -179.4 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | C29 P70 S104 I106 C233 L235 | C29-C72 HydrophobicContact CB-CB 4.3Å; P70-C72 HydrophobicContact CB-CB 4.4Å; P70-C72 PolarHBondContact O-N 3.22Å; C72-S104 WeakPolarHBondContact CA-O 3.41Å; C72-I106 VanDerWaalsContact SG-CD1 3.58Å; C72-C233 HydrophobicContact CB-CB 4.4Å; C72-C233 PolarHBondContact O-SG 3.04Å; C72-L235 WeakPolarHBondContact O-CB 3.42Å |
| 73 | I | 97.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 142.7 | -175.7 | -171.5 | 166.1 | 0 | 0 | 0 | 110.2 | L95 L98 F103 S104 I105 I106 L235 L237 L264 | I73-L95 HydrophobicContact CG1-CD2 4.31Å; I73-L95 HydrophobicContact CG2-CD2 3.88Å; I73-L98 HydrophobicContact CD1-CD1 3.63Å; I73-L98 HydrophobicContact CG2-CD1 3.99Å; I73-F103 HydrophobicContact CB-CD1 4.37Å; I73-F103 HydrophobicContact CG2-CB 4.37Å; I73-F103 HydrophobicContact CG2-CD1 4Å; I73-S104 PolarHBondContact N-O 2.97Å; I73-I105 HydrophobicContact CG2-CD1 3.57Å; I73-I106 PolarHBondContact O-N 3.09Å; I73-L235 WeakPolarHBondContact CA-O 3.34Å; I73-L235 HydrophobicContact CB-CB 3.91Å; I73-L235 HydrophobicContact CD1-CB 4.17Å; I73-L235 HydrophobicContact CG1-CB 3.8Å; I73-L237 HydrophobicContact CD1-CB 3.87Å; I73-L237 HydrophobicContact CG1-CB 4.19Å; I73-L264 HydrophobicContact CD1-CD1 3.87Å |
| 74 | Y | 98.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 156.2 | 174 | 88.1 | -79.2 | 0 | 0 | 0 | 113 | I106 L108 W224 L227 L235 Q236 L237 | Y74-I106 CarbonylContact C-O 3.52Å; Y74-I106 WeakPolarHBondContact CA-O 3.4Å; Y74-I106 WeakPolarHBondContact CB-O 3.26Å; Y74-L108 HydrophobicContact CD2-CB 4.24Å; Y74-L108 HydrophobicContact CE2-CD2 4.26Å; Y74-W224 HydrophobicContact CE1-CB 4.31Å; Y74-W224 AromaticContact CE1-CD1 3.47Å; Y74-W224 VanDerWaalsContact CE1-CD1 3.47Å; Y74-W224 AromaticContact CE1-CD2 3.73Å; Y74-W224 HydrophobicContact CE1-CD2 3.73Å; Y74-W224 AromaticContact CE1-CE2 3.75Å; Y74-W224 HydrophobicContact CE1-CE3 4.45Å; Y74-W224 AromaticContact CE1-CG 3.6Å; Y74-W224 HydrophobicContact CE1-CG 3.6Å; Y74-W224 HydrophobicContact CE1-CZ2 4.48Å; Y74-W224 AromaticContact CE1-NE1 3.59Å; Y74-W224 AromaticContact CZ-CG 3.86Å; Y74-W224 VanDerWaalsContact OH-CB 3.26Å; Y74-W224 WeakPolarHBondContact OH-CB 3.25Å; Y74-W224 VanDerWaalsContact OH-CG 3.31Å; Y74-L227 HydrophobicContact CD1-CD1 4.04Å; Y74-L227 HydrophobicContact CD2-CD1 3.38Å; Y74-L227 HydrophobicContact CE1-CD1 4.29Å; Y74-L227 HydrophobicContact CE2-CD1 3.68Å; Y74-L227 HydrophobicContact CG-CD1 3.55Å; Y74-L235 WeakPolarHBondContact CD1-O 3.29Å; Y74-L235 PolarHBondContact N-O 3.34Å; Y74-Q236 HydrophobicContact CD1-CB 4.08Å; Y74-Q236 HydrophobicContact CD1-CG 4.17Å; Y74-Q236 HydrophobicContact CE1-CB 3.51Å; Y74-Q236 HydrophobicContact CE1-CG 3.55Å; Y74-Q236 HydrophobicContact CE2-CG 4.07Å; Y74-Q236 CarbonylContact O-C 3.46Å; Y74-Q236 WeakPolarHBondContact O-CA 3.48Å; Y74-Q236 PolarHBondContact OH-NE2 3.41Å; Y74-Q236 VanDerWaalsContact OH-NE2 3.16Å; Y74-Q236 PolarHBondContact OH-OE1 3.24Å; Y74-L237 PolarHBondContact O-N 3.24Å |
| 75 | A | 98.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | F77 V91 L95 I106 L108 L237 | A75-F77 HydrophobicContact CB-CE2 4.09Å; A75-F77 HydrophobicContact CB-CZ 4.19Å; A75-V91 HydrophobicContact CB-CG1 3.4Å; A75-V91 VanDerWaalsContact CB-CG1 3.4Å; A75-L95 HydrophobicContact CB-CD1 3.8Å; A75-L95 HydrophobicContact CB-CD2 4.41Å; A75-L95 HydrophobicContact CB-CG 4.36Å; A75-I106 PolarHBondContact N-O 2.85Å; A75-L108 PolarHBondContact O-N 3.02Å; A75-L237 HydrophobicContact CB-CB 4.27Å; A75-L237 WeakPolarHBondContact CB-O 3.47Å |
| 76 | G | 98.2 | Very high | 93.9 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 44% | 0.443 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 141.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L108 | G76-L108 CarbonylContact C-O 3.53Å; G76-L108 WeakPolarHBondContact CA-O 3.45Å |
| 77 | F | 97.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.6 | 175.9 | -63.9 | -82.2 | 0 | 0 | 0 | 109.2 | A75 P79 L84 N88 V91 L92 L95 A107 L108 I109 G110 V141 | A75-F77 HydrophobicContact CB-CE2 4.09Å; A75-F77 HydrophobicContact CB-CZ 4.19Å; F77-P79 VanDerWaalsContact O-CD 3.3Å; F77-P79 WeakPolarHBondContact O-CD 3.48Å; F77-L84 HydrophobicContact CB-CD2 4.29Å; F77-L84 HydrophobicContact CD1-CD1 3.91Å; F77-L84 HydrophobicContact CD1-CD2 4.08Å; F77-L84 HydrophobicContact CE1-CD1 4.42Å; F77-N88 HydrophobicContact CD1-CB 4.17Å; F77-N88 HydrophobicContact CE1-CB 4.18Å; F77-V91 HydrophobicContact CE1-CB 4.48Å; F77-V91 HydrophobicContact CE1-CG1 4.33Å; F77-V91 HydrophobicContact CZ-CG1 4.06Å; F77-L92 HydrophobicContact CE1-CD1 4.15Å; F77-L92 HydrophobicContact CE1-CD2 3.85Å; F77-L92 HydrophobicContact CE1-CG 3.63Å; F77-L92 HydrophobicContact CE2-CD2 3.95Å; F77-L92 HydrophobicContact CZ-CD1 4.45Å; F77-L92 HydrophobicContact CZ-CD2 3.32Å; F77-L92 HydrophobicContact CZ-CG 3.57Å; F77-L95 HydrophobicContact CE2-CD1 4.39Å; F77-L95 HydrophobicContact CZ-CD1 4.33Å; F77-A107 HydrophobicContact CD2-CB 3.98Å; F77-A107 HydrophobicContact CE2-CB 3.7Å; F77-L108 PolarHBondContact N-O 3.33Å; F77-I109 HydrophobicContact CB-CD1 4.22Å; F77-G110 PolarHBondContact O-N 2.88Å; F77-V141 HydrophobicContact CB-CG1 4.24Å |
| 78 | D | 94.4 | Very high | 94.3 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 18% | 0.176 | 15% | 0.146 | C | C | . | . | trans | -89.7 | 114 | -174.7 | 176.8 | 2.7 | 0 | 0 | 0 | 111.2 | T80 A114 R126 | D78-T80 PolarHBondContact O-N 2.99Å; D78-T80 VanDerWaalsContact O-N 3.11Å; D78-T80 VanDerWaalsContact OD1-CG2 3.27Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; D78-T80 PolarHBondContact OD1-N 2.93Å; D78-A114 VanDerWaalsContact OD1-CB 3.29Å; D78-A114 WeakPolarHBondContact OD1-CB 3.38Å; D78-R126 IonicContact OD2-CZ 2.8Å; D78-R126 IonicContact OD2-NH1 3.83Å; D78-R126 PolarHBondContact OD2-NH1 3.06Å; D78-R126 IonicContact OD2-NH2 3.83Å; D78-R126 PolarHBondContact OD2-NH2 3.46Å | ||
| 79 | P | 96.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -82 | 40.5 | 179.9 | 36.2 | -39.2 | 0 | 0 | 0 | 114.5 | F77 A81 I109 G110 E111 A114 V134 N137 A138 V141 | F77-P79 VanDerWaalsContact O-CD 3.3Å; F77-P79 WeakPolarHBondContact O-CD 3.48Å; P79-A81 PolarHBondContact O-N 2.77Å; P79-I109 HydrophobicContact CG-CG2 4.34Å; P79-G110 WeakPolarHBondContact CD-O 3.23Å; P79-E111 HydrophobicContact CG-CB 4.37Å; P79-A114 HydrophobicContact CG-CB 3.91Å; P79-V134 HydrophobicContact CG-CG1 4.35Å; P79-N137 HydrophobicContact CB-CB 4Å; P79-N137 WeakPolarHBondContact O-CB 3.49Å; P79-N137 PolarHBondContact O-ND2 3.5Å; P79-A138 HydrophobicContact CB-CB 3.96Å; P79-A138 HydrophobicContact CG-CB 3.96Å; P79-V141 HydrophobicContact CB-CG2 4.24Å | ||
| 80 | T | 91.9 | Very high | 94.9 | Very high | 43 Ų | 43 | 17 Ų | 17 | 26% | 0.264 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -70.4 | -11.9 | 170.4 | 46 | 0 | 0 | 0 | 0 | 114.4 | D78 A114 R126 L129 N137 | D78-T80 PolarHBondContact O-N 2.99Å; D78-T80 VanDerWaalsContact O-N 3.11Å; D78-T80 VanDerWaalsContact OD1-CG2 3.27Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.42Å; D78-T80 PolarHBondContact OD1-N 2.93Å; T80-A114 HydrophobicContact CG2-CB 4.32Å; T80-R126 PolarHBondContact OG1-NH1 3.07Å; T80-L129 HydrophobicContact CG2-CD1 4.35Å; T80-L129 VanDerWaalsContact O-CD1 3.26Å; T80-L129 WeakPolarHBondContact O-CD1 3.12Å; T80-N137 PolarHBondContact O-ND2 3.36Å |
| 81 | A | 94.1 | Very high | 95.2 | Very high | 22 Ų | 22 | 16.8 Ų | 16.8 | 18% | 0.182 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -128.3 | 158.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | P79 S83 N137 W286 | P79-A81 PolarHBondContact O-N 2.77Å; A81-S83 PolarHBondContact O-N 2.98Å; A81-N137 VanDerWaalsContact C-CG 3.41Å; A81-N137 WeakPolarHBondContact O-CB 3.27Å; A81-W286 HydrophobicContact CB-CH2 3.81Å; A81-W286 HydrophobicContact CB-CZ3 3.61Å |
| 82 | D | 95 | Very high | 95.5 | Very high | 49 Ų | 49 | 16.8 Ų | 16.8 | 26% | 0.262 | 11% | 0.11 | S | C | . | . | S | Bend | trans | -67 | -0 | 176.4 | 64.8 | 12.9 | 0 | 0 | 0 | 113.7 | N137 T140 R291 | D82-N137 WeakPolarHBondContact CA-OD1 3.36Å; D82-N137 PolarHBondContact N-OD1 3.5Å; D82-T140 VanDerWaalsContact C-OG1 3.28Å; D82-T140 WeakPolarHBondContact CA-OG1 3.16Å; D82-T140 VanDerWaalsContact O-CB 3.29Å; D82-T140 WeakPolarHBondContact O-CB 3.36Å; D82-T140 PolarHBondContact O-OG1 2.9Å; D82-R291 VanDerWaalsContact CG-NE 3.34Å; D82-R291 WeakPolarHBondContact OD1-CD 3.49Å; D82-R291 IonicContact OD1-CZ 2.64Å; D82-R291 IonicContact OD1-NE 2.82Å; D82-R291 PolarHBondContact OD1-NE 2.86Å; D82-R291 IonicContact OD1-NH2 3.45Å; D82-R291 PolarHBondContact OD1-NH2 2.92Å; D82-R291 IonicContact OD2-CZ 3.22Å; D82-R291 IonicContact OD2-NE 2.69Å; D82-R291 PolarHBondContact OD2-NE 3.14Å; D82-R291 IonicContact OD2-NH2 3.81Å; D82-R291 PolarHBondContact OD2-NH2 2.92Å |
| 83 | S | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 16.8 Ų | 16.8 | 3% | 0.028 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -151.8 | 144 | -178.5 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | A81 Q144 W286 L287 S288 | A81-S83 PolarHBondContact O-N 2.98Å; S83-Q144 PolarHBondContact OG-NE2 2.97Å; S83-W286 VanDerWaalsContact O-CE3 3.28Å; S83-W286 WeakPolarHBondContact O-CZ3 3.25Å; S83-L287 PolarHBondContact OG-N 2.75Å; S83-S288 VanDerWaalsContact OG-CB 3.32Å; S83-S288 WeakPolarHBondContact OG-CB 3.37Å; S83-S288 PolarHBondContact OG-N 2.93Å |
| 84 | L | 96.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | trans | -68.8 | 162.9 | 161 | -64 | -178 | 0 | 0 | 0 | 111.1 | F77 N88 L92 V141 V145 L287 | F77-L84 HydrophobicContact CB-CD2 4.29Å; F77-L84 HydrophobicContact CD1-CD1 3.91Å; F77-L84 HydrophobicContact CD1-CD2 4.08Å; F77-L84 HydrophobicContact CE1-CD1 4.42Å; L84-N88 HydrophobicContact CB-CB 3.95Å; L84-N88 HydrophobicContact CD1-CB 4.18Å; L84-N88 HydrophobicContact CD2-CB 3.96Å; L84-N88 HydrophobicContact CG-CB 4.25Å; L84-L92 HydrophobicContact CD1-CD1 3.95Å; L84-V141 HydrophobicContact CD1-CG1 4.12Å; L84-V141 HydrophobicContact CD2-CG1 3.73Å; L84-V141 HydrophobicContact CD2-CG2 4.16Å; L84-V141 HydrophobicContact CG-CG1 3.88Å; L84-V141 HydrophobicContact CG-CG2 4.27Å; L84-V145 HydrophobicContact CD1-CG2 3.78Å; L84-L287 HydrophobicContact CB-CD1 3.71Å; L84-L287 HydrophobicContact CB-CG 4.1Å; L84-L287 WeakPolarHBondContact O-CG 3.35Å; L84-L287 PolarHBondContact O-N 2.93Å | ||
| 85 | H | 93.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 16.7 Ų | 16.7 | 32% | 0.324 | 11% | 0.11 | S | C | . | . | B | Isolated β-bridge | trans | -122.5 | 177.6 | 174.5 | 64.7 | 89.7 | 0 | 0 | 0 | 111.9 | G87 N88 L89 T284 L285 W286 | H85-G87 PolarHBondContact ND1-N 3.08Å; H85-G87 VanDerWaalsContact ND1-N 3.12Å; H85-G87 PolarHBondContact O-N 2.9Å; H85-G87 VanDerWaalsContact O-N 3.07Å; H85-N88 PolarHBondContact CD2-OD1 3.16Å; H85-N88 PolarHBondContact N-OD1 3.19Å; H85-N88 PolarHBondContact NE2-OD1 3.07Å; H85-N88 WeakPolarHBondContact O-CB 3.38Å; H85-N88 PolarHBondContact O-N 3.37Å; H85-L89 PolarHBondContact O-N 3.15Å; H85-L89 VanDerWaalsContact O-N 3.08Å; H85-T284 HydrophobicContact CB-CG2 3.63Å; H85-L285 VanDerWaalsContact CA-O 3.31Å; H85-L285 WeakPolarHBondContact CA-O 3.43Å; H85-L285 WeakPolarHBondContact CB-O 3.31Å; H85-W286 HydrophobicContact CB-CE3 4.24Å |
| 86 | I | 92.2 | Very high | 95.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -54.7 | -28.5 | -177.7 | -168.5 | 171.4 | 0 | 0 | 0 | 114.5 | L89 L90 L277 L285 Y300 F301 F316 | I86-L89 WeakPolarHBondContact O-CB 3.27Å; I86-L89 PolarHBondContact O-N 3.22Å; I86-L90 PolarHBondContact O-N 2.68Å; I86-L90 VanDerWaalsContact O-N 3.13Å; I86-L277 HydrophobicContact CD1-CD1 4.22Å; I86-L277 HydrophobicContact CG1-CD1 4.39Å; I86-L277 HydrophobicContact CG2-CB 3.95Å; I86-L285 HydrophobicContact CB-CB 4.37Å; I86-L285 HydrophobicContact CB-CD2 4.36Å; I86-L285 HydrophobicContact CD1-CD2 4.01Å; I86-L285 HydrophobicContact CG2-CB 4.39Å; I86-L285 PolarHBondContact N-O 3.04Å; I86-Y300 HydrophobicContact CD1-CE1 3.81Å; I86-F301 HydrophobicContact CD1-CE1 3.75Å; I86-F301 HydrophobicContact CD1-CZ 3.57Å; I86-F301 HydrophobicContact CG1-CZ 4.3Å; I86-F316 HydrophobicContact CD1-CZ 4.23Å; I86-F316 HydrophobicContact CG1-CE1 4.1Å; I86-F316 HydrophobicContact CG1-CZ 3.81Å |
| 87 | G | 90.3 | Very high | 95.1 | Very high | 29 Ų | 29 | 15.1 Ų | 15.1 | 30% | 0.299 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -66 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | H85 L89 L90 | H85-G87 PolarHBondContact ND1-N 3.08Å; H85-G87 VanDerWaalsContact ND1-N 3.12Å; H85-G87 PolarHBondContact O-N 2.9Å; H85-G87 VanDerWaalsContact O-N 3.07Å; G87-L89 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.28Å; G87-L90 WeakPolarHBondContact O-CB 3.05Å; G87-L90 PolarHBondContact O-N 3.42Å |
| 88 | N | 94.5 | Very high | 94.9 | Very high | 31 Ų | 31 | 15 Ų | 15 | 17% | 0.166 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -68.7 | -31.8 | 172.8 | -48.4 | 109 | 0 | 0 | 0 | 111.7 | F77 L84 H85 L90 V91 L92 | F77-N88 HydrophobicContact CD1-CB 4.17Å; F77-N88 HydrophobicContact CE1-CB 4.18Å; L84-N88 HydrophobicContact CB-CB 3.95Å; L84-N88 HydrophobicContact CD1-CB 4.18Å; L84-N88 HydrophobicContact CD2-CB 3.96Å; L84-N88 HydrophobicContact CG-CB 4.25Å; H85-N88 PolarHBondContact CD2-OD1 3.16Å; H85-N88 PolarHBondContact N-OD1 3.19Å; H85-N88 PolarHBondContact NE2-OD1 3.07Å; H85-N88 WeakPolarHBondContact O-CB 3.38Å; H85-N88 PolarHBondContact O-N 3.37Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 3.43Å; N88-V91 WeakPolarHBondContact O-CB 3.25Å; N88-V91 PolarHBondContact O-N 2.94Å; N88-L92 WeakPolarHBondContact O-CG 3.47Å; N88-L92 PolarHBondContact O-N 3.41Å |
| 89 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 175.8 | -175.6 | 61.5 | 0 | 0 | 0 | 111.8 | H85 I86 G87 V91 L92 C93 I148 L287 F297 F316 L351 V352 | H85-L89 PolarHBondContact O-N 3.15Å; H85-L89 VanDerWaalsContact O-N 3.08Å; I86-L89 WeakPolarHBondContact O-CB 3.27Å; I86-L89 PolarHBondContact O-N 3.22Å; G87-L89 VanDerWaalsContact C-N 3.3Å; G87-L89 PolarHBondContact O-N 3.28Å; L89-V91 VanDerWaalsContact C-N 3.32Å; L89-V91 PolarHBondContact O-N 2.81Å; L89-L92 PolarHBondContact O-N 3.07Å; L89-C93 WeakPolarHBondContact O-CB 3.22Å; L89-C93 PolarHBondContact O-N 2.74Å; L89-C93 PolarHBondContact O-SG 3.13Å; L89-C93 VanDerWaalsContact O-SG 3.42Å; L89-I148 HydrophobicContact CD1-CD1 4.37Å; L89-L287 HydrophobicContact CB-CD1 4.08Å; L89-L287 HydrophobicContact CB-CD2 4.08Å; L89-L287 HydrophobicContact CD1-CD1 4.3Å; L89-L287 HydrophobicContact CD2-CD2 4.03Å; L89-L287 HydrophobicContact CG-CD2 4.49Å; L89-F297 HydrophobicContact CD2-CZ 3.95Å; L89-F316 HydrophobicContact CB-CE1 4.28Å; L89-F316 HydrophobicContact CD2-CD1 4.42Å; L89-F316 HydrophobicContact CD2-CE1 4.42Å; L89-F316 HydrophobicContact CG-CD1 4.23Å; L89-F316 HydrophobicContact CG-CE1 4.2Å; L89-L351 HydrophobicContact CD1-CD2 4.15Å; L89-V352 HydrophobicContact CD1-CG2 3.79Å; L89-V352 HydrophobicContact CD2-CG2 3.93Å |
| 90 | L | 94.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -60.4 | -44 | 176 | -179.3 | 65.1 | 0 | 0 | 0 | 111.7 | L50 I86 G87 N88 C93 T94 V266 L269 F316 | L50-L90 HydrophobicContact CD2-CD1 3.6Å; I86-L90 PolarHBondContact O-N 2.68Å; I86-L90 VanDerWaalsContact O-N 3.13Å; G87-L90 WeakPolarHBondContact O-CB 3.05Å; G87-L90 PolarHBondContact O-N 3.42Å; N88-L90 VanDerWaalsContact C-N 3.28Å; N88-L90 PolarHBondContact O-N 3.43Å; L90-C93 PolarHBondContact O-N 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.34Å; L90-T94 PolarHBondContact O-N 2.85Å; L90-T94 PolarHBondContact O-OG1 2.94Å; L90-V266 HydrophobicContact CD2-CB 4.25Å; L90-V266 HydrophobicContact CD2-CG2 4.19Å; L90-L269 HydrophobicContact CD1-CD1 3.82Å; L90-L269 HydrophobicContact CD2-CD1 3.47Å; L90-L269 VanDerWaalsContact CD2-CD1 3.47Å; L90-L269 HydrophobicContact CD2-CG 3.7Å; L90-L269 HydrophobicContact CG-CD1 4.14Å; L90-F316 HydrophobicContact CB-CE1 3.73Å; L90-F316 HydrophobicContact CB-CZ 3.95Å; L90-F316 HydrophobicContact CD1-CD1 4.33Å; L90-F316 HydrophobicContact CD1-CE1 4.07Å; L90-F316 HydrophobicContact CD1-CE2 4.32Å; L90-F316 HydrophobicContact CD1-CZ 4.05Å |
| 91 | V | 96.4 | Very high | 94.4 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 10% | 0.097 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 176 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | A75 F77 N88 L89 T94 L95 L237 V266 | A75-V91 HydrophobicContact CB-CG1 3.4Å; A75-V91 VanDerWaalsContact CB-CG1 3.4Å; F77-V91 HydrophobicContact CE1-CB 4.48Å; F77-V91 HydrophobicContact CE1-CG1 4.33Å; F77-V91 HydrophobicContact CZ-CG1 4.06Å; N88-V91 WeakPolarHBondContact O-CB 3.25Å; N88-V91 PolarHBondContact O-N 2.94Å; L89-V91 VanDerWaalsContact C-N 3.32Å; L89-V91 PolarHBondContact O-N 2.81Å; V91-T94 PolarHBondContact O-N 2.91Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.24Å; V91-L237 HydrophobicContact CG1-CD2 3.81Å; V91-L237 HydrophobicContact CG1-CG 4.31Å; V91-V266 HydrophobicContact CG2-CG2 3.97Å |
| 92 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.7 | -73 | 167.2 | 0 | 0 | 0 | 112.7 | F77 L84 N88 L89 T94 L95 L96 V145 I148 F149 | F77-L92 HydrophobicContact CE1-CD1 4.15Å; F77-L92 HydrophobicContact CE1-CD2 3.85Å; F77-L92 HydrophobicContact CE1-CG 3.63Å; F77-L92 HydrophobicContact CE2-CD2 3.95Å; F77-L92 HydrophobicContact CZ-CD1 4.45Å; F77-L92 HydrophobicContact CZ-CD2 3.32Å; F77-L92 HydrophobicContact CZ-CG 3.57Å; L84-L92 HydrophobicContact CD1-CD1 3.95Å; N88-L92 WeakPolarHBondContact O-CG 3.47Å; N88-L92 PolarHBondContact O-N 3.41Å; L89-L92 PolarHBondContact O-N 3.07Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.01Å; L92-L95 PolarHBondContact O-N 2.85Å; L92-L96 WeakPolarHBondContact O-CB 3.5Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 2.81Å; L92-V145 HydrophobicContact CD2-CG1 4.15Å; L92-V145 HydrophobicContact CD2-CG2 4.35Å; L92-I148 HydrophobicContact CD1-CD1 3.66Å; L92-F149 HydrophobicContact CD2-CE1 3.99Å; L92-F149 HydrophobicContact CD2-CZ 4.2Å |
| 93 | C | 96.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 176.1 | -74.8 | 0 | 0 | 0 | 0 | 111.4 | L89 L90 L96 R97 F318 | L89-C93 WeakPolarHBondContact O-CB 3.22Å; L89-C93 PolarHBondContact O-N 2.74Å; L89-C93 PolarHBondContact O-SG 3.13Å; L89-C93 VanDerWaalsContact O-SG 3.42Å; L90-C93 PolarHBondContact O-N 3.23Å; C93-L96 PolarHBondContact O-N 2.86Å; C93-R97 WeakPolarHBondContact O-CB 3.38Å; C93-R97 PolarHBondContact O-N 3.31Å; C93-F318 HydrophobicContact CB-CZ 4.34Å |
| 94 | T | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L45 L90 V91 L92 L96 R97 L98 L237 | L45-T94 HydrophobicContact CD1-CG2 3.93Å; L45-T94 HydrophobicContact CD2-CG2 3.95Å; L90-T94 WeakPolarHBondContact O-CB 3.34Å; L90-T94 PolarHBondContact O-N 2.85Å; L90-T94 PolarHBondContact O-OG1 2.94Å; V91-T94 PolarHBondContact O-N 2.91Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 3.01Å; T94-L96 VanDerWaalsContact C-N 3.35Å; T94-L96 PolarHBondContact O-N 3.03Å; T94-R97 PolarHBondContact O-N 3.05Å; T94-L98 PolarHBondContact O-N 3.33Å; T94-L98 VanDerWaalsContact O-N 3.09Å; T94-L237 HydrophobicContact CG2-CD1 3.91Å; T94-L237 HydrophobicContact CG2-CD2 3.69Å; T94-L237 HydrophobicContact CG2-CG 4.48Å |
| 95 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58.7 | -45.5 | 171.3 | -72.3 | 179.8 | 0 | 0 | 0 | 111.7 | I73 A75 F77 V91 L92 R97 L98 R99 I105 L237 | I73-L95 HydrophobicContact CG1-CD2 4.31Å; I73-L95 HydrophobicContact CG2-CD2 3.88Å; A75-L95 HydrophobicContact CB-CD1 3.8Å; A75-L95 HydrophobicContact CB-CD2 4.41Å; A75-L95 HydrophobicContact CB-CG 4.36Å; F77-L95 HydrophobicContact CE2-CD1 4.39Å; F77-L95 HydrophobicContact CZ-CD1 4.33Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 3.24Å; L92-L95 PolarHBondContact O-N 2.85Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 2.94Å; L95-L98 PolarHBondContact O-N 3.05Å; L95-R99 PolarHBondContact O-N 3.48Å; L95-I105 HydrophobicContact CB-CD1 4.41Å; L95-I105 HydrophobicContact CB-CG2 3.79Å; L95-I105 HydrophobicContact CD1-CG2 3.93Å; L95-I105 HydrophobicContact CD2-CD1 4.43Å; L95-I105 HydrophobicContact CD2-CG2 4.26Å; L95-I105 HydrophobicContact CG-CG2 4.22Å; L95-I105 WeakPolarHBondContact O-CD1 3.35Å; L95-L237 HydrophobicContact CD2-CB 4.25Å; L95-L237 HydrophobicContact CD2-CD2 3.85Å; L95-L237 HydrophobicContact CG-CD2 3.87Å |
| 96 | L | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.7 | -34.7 | 179.2 | -74.3 | 172.5 | 0 | 0 | 0 | 112.6 | L92 C93 T94 R99 L100 I148 F149 F152 F318 L351 | L92-L96 WeakPolarHBondContact O-CB 3.5Å; L92-L96 VanDerWaalsContact O-CG 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.37Å; L92-L96 PolarHBondContact O-N 2.81Å; C93-L96 PolarHBondContact O-N 2.86Å; T94-L96 VanDerWaalsContact C-N 3.35Å; T94-L96 PolarHBondContact O-N 3.03Å; L96-R99 VanDerWaalsContact O-CB 3.26Å; L96-R99 WeakPolarHBondContact O-CB 3.34Å; L96-R99 PolarHBondContact O-N 2.76Å; L96-L100 PolarHBondContact O-N 3.34Å; L96-L100 VanDerWaalsContact O-N 3.15Å; L96-I148 HydrophobicContact CD1-CG2 3.98Å; L96-F149 HydrophobicContact CD1-CD1 4.4Å; L96-F149 HydrophobicContact CD2-CD1 3.7Å; L96-F149 HydrophobicContact CD2-CE1 3.99Å; L96-F149 HydrophobicContact CG-CD1 4.24Å; L96-F149 HydrophobicContact CG-CE1 4.23Å; L96-F152 HydrophobicContact CB-CD2 4.09Å; L96-F152 HydrophobicContact CB-CE2 3.99Å; L96-F152 HydrophobicContact CB-CG 4.42Å; L96-F152 HydrophobicContact CB-CZ 4.21Å; L96-F152 HydrophobicContact CD1-CB 3.92Å; L96-F152 HydrophobicContact CD1-CD2 3.79Å; L96-F152 HydrophobicContact CD1-CG 3.87Å; L96-F152 HydrophobicContact CD2-CB 4.04Å; L96-F152 HydrophobicContact CD2-CD1 3.67Å; L96-F152 HydrophobicContact CD2-CD2 4.19Å; L96-F152 HydrophobicContact CD2-CE1 4.11Å; L96-F152 HydrophobicContact CD2-CG 3.67Å; L96-F152 HydrophobicContact CG-CD2 4.25Å; L96-F152 HydrophobicContact CG-CG 4.2Å; L96-F318 HydrophobicContact CB-CE1 3.7Å; L96-F318 HydrophobicContact CB-CZ 3.93Å; L96-F318 HydrophobicContact CD1-CZ 4.1Å; L96-L351 HydrophobicContact CD1-CD1 4.09Å |
| 97 | R | 93.9 | Very high | 94.4 | Very high | 10 Ų | 10 | 14.3 Ų | 14.3 | 4% | 0.038 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 171.3 | -170.4 | -175.4 | -54.4 | -72.2 | -2.4 | 111.2 | R48 C93 T94 L95 R99 L100 R101 R314 S315 S317 | R48-R97 VanDerWaalsContact CZ-NH1 3.3Å; C93-R97 WeakPolarHBondContact O-CB 3.38Å; C93-R97 PolarHBondContact O-N 3.31Å; T94-R97 PolarHBondContact O-N 3.05Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 2.94Å; R97-R99 VanDerWaalsContact C-N 3.3Å; R97-R99 PolarHBondContact O-N 2.77Å; R97-L100 WeakPolarHBondContact O-CB 3.49Å; R97-L100 PolarHBondContact O-N 3.04Å; R97-R101 PolarHBondContact O-N 3.32Å; R97-R314 PolarHBondContact NH2-O 3.39Å; R97-S315 PolarHBondContact NH2-O 3.14Å; R97-S317 PolarHBondContact NH1-O 2.94Å; R97-S317 PolarHBondContact NH2-O 3.29Å |
| 98 | L | 93.7 | Very high | 94.8 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.2 | -32 | 174.7 | -69.7 | 174.5 | 0 | 0 | 0 | 112.2 | L45 I73 T94 L95 L100 R101 G102 F103 I105 | L45-L98 HydrophobicContact CD1-CD1 3.98Å; L45-L98 HydrophobicContact CD1-CD2 3.88Å; L45-L98 HydrophobicContact CD1-CG 4.04Å; L45-L98 HydrophobicContact CG-CD2 4.4Å; I73-L98 HydrophobicContact CD1-CD1 3.63Å; I73-L98 HydrophobicContact CG2-CD1 3.99Å; T94-L98 PolarHBondContact O-N 3.33Å; T94-L98 VanDerWaalsContact O-N 3.09Å; L95-L98 PolarHBondContact O-N 3.05Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.16Å; L98-R101 CarbonylContact O-C 3.56Å; L98-R101 WeakPolarHBondContact O-CA 3.15Å; L98-R101 WeakPolarHBondContact O-CB 3.35Å; L98-R101 PolarHBondContact O-N 3.5Å; L98-G102 PolarHBondContact O-N 3Å; L98-F103 HydrophobicContact CB-CB 4Å; L98-F103 HydrophobicContact CB-CD1 4.41Å; L98-F103 HydrophobicContact CB-CD2 4.02Å; L98-F103 HydrophobicContact CB-CG 3.9Å; L98-F103 HydrophobicContact CD2-CD2 4.12Å; L98-F103 HydrophobicContact CD2-CE1 4.38Å; L98-F103 HydrophobicContact CD2-CE2 3.85Å; L98-F103 HydrophobicContact CD2-CG 4.49Å; L98-F103 HydrophobicContact CD2-CZ 3.97Å; L98-F103 WeakPolarHBondContact O-CB 3.5Å; L98-F103 VanDerWaalsContact O-CD2 3.31Å; L98-F103 WeakPolarHBondContact O-CD2 3.41Å; L98-F103 PolarHBondContact O-N 3.09Å; L98-F103 VanDerWaalsContact O-N 3.07Å; L98-I105 HydrophobicContact CB-CD1 4.17Å |
| 99 | R | 92.6 | Very high | 95 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.011 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58.5 | -42 | 172.1 | -166.5 | -176 | 173 | -159.3 | -3.9 | 111.6 | L95 L96 R97 R101 G102 I105 D153 A160 P162 P164 | L95-R99 PolarHBondContact O-N 3.48Å; L96-R99 VanDerWaalsContact O-CB 3.26Å; L96-R99 WeakPolarHBondContact O-CB 3.34Å; L96-R99 PolarHBondContact O-N 2.76Å; R97-R99 VanDerWaalsContact C-N 3.3Å; R97-R99 PolarHBondContact O-N 2.77Å; R99-R101 PolarHBondContact O-N 3.27Å; R99-G102 PolarHBondContact O-N 3.5Å; R99-I105 HydrophobicContact CB-CD1 4.37Å; R99-I105 HydrophobicContact CB-CG1 3.7Å; R99-I105 HydrophobicContact CG-CG1 4.12Å; R99-D153 IonicContact CZ-OD1 4Å; R99-D153 IonicContact CZ-OD2 3.02Å; R99-D153 IonicContact NH1-OD1 3.98Å; R99-D153 PolarHBondContact NH1-OD1 2.91Å; R99-D153 IonicContact NH1-OD2 2.72Å; R99-D153 IonicContact NH2-OD1 3.14Å; R99-D153 PolarHBondContact NH2-OD1 3.33Å; R99-D153 IonicContact NH2-OD2 2.99Å; R99-D153 PolarHBondContact NH2-OD2 2.75Å; R99-D153 VanDerWaalsContact NH2-OD2 3.13Å; R99-A160 PolarHBondContact NE-O 3.26Å; R99-A160 PolarHBondContact NH2-O 2.9Å; R99-P162 PolarHBondContact NE-O 2.9Å; R99-P164 VanDerWaalsContact CZ-CD 3.48Å |
| 100 | L | 90.6 | Very high | 95.1 | Very high | 73 Ų | 73 | 11.9 Ų | 11.9 | 38% | 0.382 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -61.5 | -24 | 174.6 | -66.1 | 174.2 | 0 | 0 | 0 | 112.7 | L96 R97 L98 G102 F152 Q156 F318 | L96-L100 PolarHBondContact O-N 3.34Å; L96-L100 VanDerWaalsContact O-N 3.15Å; R97-L100 WeakPolarHBondContact O-CB 3.49Å; R97-L100 PolarHBondContact O-N 3.04Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.16Å; L100-G102 VanDerWaalsContact C-N 3.31Å; L100-F152 HydrophobicContact CD1-CZ 3.92Å; L100-F152 HydrophobicContact CD2-CE1 4.02Å; L100-F152 HydrophobicContact CD2-CZ 3.64Å; L100-F152 HydrophobicContact CG-CE1 4.36Å; L100-F152 HydrophobicContact CG-CZ 3.67Å; L100-Q156 HydrophobicContact CD2-CG 4.13Å; L100-F318 HydrophobicContact CD1-CD1 4.28Å |
| 101 | R | 88.9 | Confident | 95.3 | Very high | 114 Ų | 114 | 12.6 Ų | 12.6 | 43% | 0.43 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 7.9 | 175 | -55.1 | -64.2 | -66.6 | -178.9 | -4.5 | 112.9 | V36 R97 L98 R99 F103 | V36-R101 VanDerWaalsContact CG1-O 3.25Å; V36-R101 WeakPolarHBondContact CG1-O 3.37Å; V36-R101 VanDerWaalsContact CG2-O 3.25Å; V36-R101 WeakPolarHBondContact CG2-O 3.33Å; R97-R101 PolarHBondContact O-N 3.32Å; L98-R101 CarbonylContact O-C 3.56Å; L98-R101 WeakPolarHBondContact O-CA 3.15Å; L98-R101 WeakPolarHBondContact O-CB 3.35Å; L98-R101 PolarHBondContact O-N 3.5Å; R99-R101 PolarHBondContact O-N 3.27Å; R101-F103 HydrophobicContact CB-CD2 4.12Å; R101-F103 HydrophobicContact CB-CE2 4.26Å |
| 102 | G | 89 | Confident | 95.3 | Very high | 16 Ų | 16 | 12.1 Ų | 12.1 | 17% | 0.165 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.4 | 9.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L98 R99 L100 | L98-G102 PolarHBondContact O-N 3Å; R99-G102 PolarHBondContact O-N 3.5Å; L100-G102 VanDerWaalsContact C-N 3.31Å |
| 103 | F | 92.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | trans | -70.5 | 140 | 176.5 | -75.5 | -117.9 | 0 | 0 | 0 | 111.6 | V36 I38 P71 I73 L98 R101 I105 P162 L235 | V36-F103 HydrophobicContact CG1-CD2 3.78Å; V36-F103 HydrophobicContact CG1-CE2 3.48Å; V36-F103 VanDerWaalsContact CG1-CE2 3.48Å; V36-F103 HydrophobicContact CG1-CZ 4.26Å; I38-F103 HydrophobicContact CB-CZ 4.07Å; I38-F103 HydrophobicContact CG1-CE1 4.3Å; I38-F103 HydrophobicContact CG1-CZ 3.94Å; I38-F103 HydrophobicContact CG2-CE1 4.02Å; I38-F103 HydrophobicContact CG2-CZ 3.79Å; P71-F103 HydrophobicContact CB-CD1 4.16Å; P71-F103 HydrophobicContact CB-CD2 4.46Å; P71-F103 HydrophobicContact CB-CE1 4.37Å; P71-F103 HydrophobicContact CB-CG 4.22Å; P71-F103 CarbonylContact O-C 3.53Å; P71-F103 VanDerWaalsContact O-CA 3.27Å; P71-F103 WeakPolarHBondContact O-CA 3.37Å; I73-F103 HydrophobicContact CB-CD1 4.37Å; I73-F103 HydrophobicContact CG2-CB 4.37Å; I73-F103 HydrophobicContact CG2-CD1 4Å; L98-F103 HydrophobicContact CB-CB 4Å; L98-F103 HydrophobicContact CB-CD1 4.41Å; L98-F103 HydrophobicContact CB-CD2 4.02Å; L98-F103 HydrophobicContact CB-CG 3.9Å; L98-F103 HydrophobicContact CD2-CD2 4.12Å; L98-F103 HydrophobicContact CD2-CE1 4.38Å; L98-F103 HydrophobicContact CD2-CE2 3.85Å; L98-F103 HydrophobicContact CD2-CG 4.49Å; L98-F103 HydrophobicContact CD2-CZ 3.97Å; L98-F103 WeakPolarHBondContact O-CB 3.5Å; L98-F103 VanDerWaalsContact O-CD2 3.31Å; L98-F103 WeakPolarHBondContact O-CD2 3.41Å; L98-F103 PolarHBondContact O-N 3.09Å; L98-F103 VanDerWaalsContact O-N 3.07Å; R101-F103 HydrophobicContact CB-CD2 4.12Å; R101-F103 HydrophobicContact CB-CE2 4.26Å; F103-I105 HydrophobicContact CB-CD1 3.8Å; F103-I105 PolarHBondContact O-N 3.47Å; F103-P162 VanDerWaalsContact O-CG 3.25Å; F103-P162 WeakPolarHBondContact O-CG 3.39Å; F103-L235 HydrophobicContact CE1-CD1 3.88Å | ||
| 104 | S | 93.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.007 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 115.2 | 163 | -73.2 | 0 | 0 | 0 | 0 | 109.8 | Y25 C29 P71 C72 I73 | Y25-S104 WeakPolarHBondContact OH-CB 3.3Å; C29-S104 WeakPolarHBondContact SG-CB 3.26Å; C29-S104 PolarHBondContact SG-OG 2.74Å; P71-S104 PolarHBondContact O-N 3.37Å; C72-S104 WeakPolarHBondContact CA-O 3.41Å; I73-S104 PolarHBondContact N-O 2.97Å |
| 105 | I | 95.7 | Very high | 95 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.1 | -175 | -58.3 | -48.1 | 0 | 0 | 0 | 111 | Y25 I73 L95 L98 R99 F103 F149 P164 L165 | Y25-I105 PolarHBondContact OH-O 2.91Å; I73-I105 HydrophobicContact CG2-CD1 3.57Å; L95-I105 HydrophobicContact CB-CD1 4.41Å; L95-I105 HydrophobicContact CB-CG2 3.79Å; L95-I105 HydrophobicContact CD1-CG2 3.93Å; L95-I105 HydrophobicContact CD2-CD1 4.43Å; L95-I105 HydrophobicContact CD2-CG2 4.26Å; L95-I105 HydrophobicContact CG-CG2 4.22Å; L95-I105 WeakPolarHBondContact O-CD1 3.35Å; L98-I105 HydrophobicContact CB-CD1 4.17Å; R99-I105 HydrophobicContact CB-CD1 4.37Å; R99-I105 HydrophobicContact CB-CG1 3.7Å; R99-I105 HydrophobicContact CG-CG1 4.12Å; F103-I105 HydrophobicContact CB-CD1 3.8Å; F103-I105 PolarHBondContact O-N 3.47Å; I105-F149 HydrophobicContact CG2-CZ 4.25Å; I105-P164 HydrophobicContact CB-CB 4.15Å; I105-P164 HydrophobicContact CB-CG 4.43Å; I105-P164 HydrophobicContact CG2-CB 4.26Å; I105-P164 CarbonylContact O-C 3.59Å; I105-P164 WeakPolarHBondContact O-CA 3.4Å; I105-L165 PolarHBondContact O-N 3.49Å |
| 106 | I | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.9 | 174.2 | -53.8 | 168.1 | 0 | 0 | 0 | 109.8 | Y25 C72 I73 Y74 A75 L165 I167 L227 T231 C233 | Y25-I106 HydrophobicContact CE1-CD1 4.26Å; Y25-I106 HydrophobicContact CE1-CG1 4.4Å; Y25-I106 WeakPolarHBondContact OH-CG1 3.35Å; C72-I106 VanDerWaalsContact SG-CD1 3.58Å; I73-I106 PolarHBondContact O-N 3.09Å; Y74-I106 CarbonylContact C-O 3.52Å; Y74-I106 WeakPolarHBondContact CA-O 3.4Å; Y74-I106 WeakPolarHBondContact CB-O 3.26Å; A75-I106 PolarHBondContact N-O 2.85Å; I106-L165 CarbonylContact C-O 3.58Å; I106-L165 WeakPolarHBondContact CA-O 3.46Å; I106-L165 HydrophobicContact CG1-CB 4.27Å; I106-L165 HydrophobicContact CG1-CD2 4.3Å; I106-L165 HydrophobicContact CG2-CD2 4.32Å; I106-L165 HydrophobicContact CG2-CG 4.42Å; I106-I167 HydrophobicContact CG2-CG2 3.99Å; I106-L227 HydrophobicContact CG2-CD2 4.08Å; I106-T231 HydrophobicContact CD1-CG2 3.8Å; I106-T231 WeakPolarHBondContact CD1-OG1 3.37Å; I106-C233 HydrophobicContact CD1-CB 3.99Å |
| 107 | A | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 113.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | F77 V145 F149 L165 V166 I167 | F77-A107 HydrophobicContact CD2-CB 3.98Å; F77-A107 HydrophobicContact CE2-CB 3.7Å; A107-V145 HydrophobicContact CB-CG1 3.66Å; A107-F149 HydrophobicContact CB-CE2 4.2Å; A107-F149 HydrophobicContact CB-CZ 4.1Å; A107-L165 PolarHBondContact N-O 2.95Å; A107-V166 HydrophobicContact CB-CG2 4.35Å; A107-V166 WeakPolarHBondContact O-CA 3.38Å; A107-I167 PolarHBondContact O-N 3.15Å |
| 108 | L | 98.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 118.8 | 177 | 178.1 | 66.5 | 0 | 0 | 0 | 109.8 | Y74 A75 G76 F77 I167 N169 W172 D223 L227 | Y74-L108 HydrophobicContact CD2-CB 4.24Å; Y74-L108 HydrophobicContact CE2-CD2 4.26Å; A75-L108 PolarHBondContact O-N 3.02Å; G76-L108 CarbonylContact C-O 3.53Å; G76-L108 WeakPolarHBondContact CA-O 3.45Å; F77-L108 PolarHBondContact N-O 3.33Å; L108-I167 CarbonylContact C-O 3.58Å; L108-I167 WeakPolarHBondContact CA-O 3.44Å; L108-I167 HydrophobicContact CD1-CG2 3.8Å; L108-N169 HydrophobicContact CD1-CB 4.09Å; L108-W172 HydrophobicContact CD1-CH2 3.5Å; L108-W172 VanDerWaalsContact CD1-CH2 3.5Å; L108-W172 HydrophobicContact CD1-CZ2 3.91Å; L108-D223 HydrophobicContact CD2-CB 3.62Å; L108-L227 HydrophobicContact CB-CD1 4.38Å; L108-L227 HydrophobicContact CD2-CD1 4.06Å |
| 109 | I | 98.7 | Very high | 94 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.2 | 171.3 | -49.5 | -52.4 | 0 | 0 | 0 | 107.8 | F77 P79 E111 A138 V141 V145 V166 I167 N168 N169 | F77-I109 HydrophobicContact CB-CD1 4.22Å; P79-I109 HydrophobicContact CG-CG2 4.34Å; I109-E111 VanDerWaalsContact C-N 3.3Å; I109-E111 PolarHBondContact O-N 3.16Å; I109-A138 HydrophobicContact CG2-CB 3.96Å; I109-V141 HydrophobicContact CD1-CG1 4.02Å; I109-V145 HydrophobicContact CD1-CG2 4.41Å; I109-V166 HydrophobicContact CD1-CG1 4.19Å; I109-V166 HydrophobicContact CG1-CG1 4.02Å; I109-I167 PolarHBondContact N-O 3.43Å; I109-N168 HydrophobicContact CB-CB 4.11Å; I109-N168 WeakPolarHBondContact O-CA 3.48Å; I109-N168 PolarHBondContact O-OD1 3.36Å; I109-N168 VanDerWaalsContact O-OD1 3.09Å; I109-N169 PolarHBondContact O-N 2.96Å; I109-N169 PolarHBondContact O-OD1 3.48Å |
| 110 | G | 98.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 18.5 Ų | 18.5 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | trans | -87.1 | 51.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F77 P79 T113 A114 | F77-G110 PolarHBondContact O-N 2.88Å; P79-G110 WeakPolarHBondContact CD-O 3.23Å; G110-T113 VanDerWaalsContact CA-OG1 3.24Å; G110-T113 WeakPolarHBondContact CA-OG1 3.45Å; G110-T113 PolarHBondContact O-N 2.66Å; G110-T113 PolarHBondContact O-OG1 2.89Å; G110-T113 VanDerWaalsContact O-OG1 3.11Å; G110-A114 WeakPolarHBondContact O-CB 3.24Å; G110-A114 PolarHBondContact O-N 3.42Å | ||
| 111 | E | 98 | Very high | 93 | Very high | 20 Ų | 20 | 17.5 Ų | 17.5 | 9% | 0.093 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | -175.8 | -173.5 | -169.7 | 141.5 | 0 | 0 | 112.7 | P79 I109 A114 R115 V134 A138 N168 N169 V170 | P79-E111 HydrophobicContact CG-CB 4.37Å; I109-E111 VanDerWaalsContact C-N 3.3Å; I109-E111 PolarHBondContact O-N 3.16Å; E111-A114 PolarHBondContact O-N 3.18Å; E111-R115 WeakPolarHBondContact O-CG 3.46Å; E111-R115 IonicContact OE1-CZ 3.37Å; E111-R115 IonicContact OE1-NH2 3.63Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å; E111-V134 HydrophobicContact CG-CG1 3.86Å; E111-V134 WeakPolarHBondContact O-CG1 3.46Å; E111-A138 HydrophobicContact CB-CB 3.81Å; E111-A138 HydrophobicContact CG-CB 3.7Å; E111-A138 WeakPolarHBondContact OE2-CB 3.25Å; E111-N168 WeakPolarHBondContact CB-OD1 3.36Å; E111-N168 PolarHBondContact OE2-ND2 3.19Å; E111-N169 PolarHBondContact N-OD1 3.33Å; E111-V170 HydrophobicContact CB-CG1 3.84Å; E111-V170 HydrophobicContact CG-CG1 3.96Å |
| 112 | A | 96.9 | Very high | 92.5 | Very high | 6 Ų | 6 | 15.4 Ų | 15.4 | 5% | 0.05 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.7 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A114 R115 L116 N169 V170 F173 | A112-A114 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.86Å; A112-R115 VanDerWaalsContact O-CB 3.31Å; A112-R115 WeakPolarHBondContact O-CB 3.4Å; A112-R115 PolarHBondContact O-N 2.99Å; A112-R115 VanDerWaalsContact O-N 3.17Å; A112-L116 WeakPolarHBondContact O-CD1 3.48Å; A112-N169 WeakPolarHBondContact CB-OD1 3.49Å; A112-N169 PolarHBondContact N-OD1 3.02Å; A112-V170 HydrophobicContact CB-CG1 4.05Å; A112-F173 HydrophobicContact CB-CB 3.66Å; A112-F173 HydrophobicContact CB-CD2 3.47Å; A112-F173 VanDerWaalsContact CB-CD2 3.47Å; A112-F173 HydrophobicContact CB-CE2 4.35Å; A112-F173 HydrophobicContact CB-CG 3.88Å |
| 113 | T | 96.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 19.1 Ų | 19.1 | 3% | 0.031 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -30.7 | 178.7 | 43.6 | 0 | 0 | 0 | 0 | 112.8 | G110 R115 L116 G117 N169 F173 Y216 F219 | G110-T113 VanDerWaalsContact CA-OG1 3.24Å; G110-T113 WeakPolarHBondContact CA-OG1 3.45Å; G110-T113 PolarHBondContact O-N 2.66Å; G110-T113 PolarHBondContact O-OG1 2.89Å; G110-T113 VanDerWaalsContact O-OG1 3.11Å; T113-R115 PolarHBondContact O-N 3.43Å; T113-L116 WeakPolarHBondContact O-CB 3.35Å; T113-L116 PolarHBondContact O-N 3.41Å; T113-G117 PolarHBondContact O-N 2.99Å; T113-N169 WeakPolarHBondContact CG2-ND2 3.26Å; T113-N169 PolarHBondContact OG1-ND2 2.94Å; T113-F173 HydrophobicContact CG2-CE2 4.29Å; T113-Y216 HydrophobicContact CG2-CE2 4.39Å; T113-F219 HydrophobicContact CG2-CB 3.85Å |
| 114 | A | 95.5 | Very high | 91.3 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.2 | -27 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D78 P79 T80 G110 E111 A112 L116 V134 | D78-A114 VanDerWaalsContact OD1-CB 3.29Å; D78-A114 WeakPolarHBondContact OD1-CB 3.38Å; P79-A114 HydrophobicContact CG-CB 3.91Å; T80-A114 HydrophobicContact CG2-CB 4.32Å; G110-A114 WeakPolarHBondContact O-CB 3.24Å; G110-A114 PolarHBondContact O-N 3.42Å; E111-A114 PolarHBondContact O-N 3.18Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.86Å; A114-L116 PolarHBondContact O-N 2.97Å; A114-V134 HydrophobicContact CB-CG1 3.73Å |
| 115 | R | 93.7 | Very high | 90.6 | Very high | 86 Ų | 86 | 30.3 Ų | 30.3 | 33% | 0.325 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -22 | 173.4 | -56.7 | 168.2 | -169.4 | 170.5 | 1.7 | 111.7 | E111 A112 T113 V134 D174 | E111-R115 WeakPolarHBondContact O-CG 3.46Å; E111-R115 IonicContact OE1-CZ 3.37Å; E111-R115 IonicContact OE1-NH2 3.63Å; E111-R115 PolarHBondContact OE1-NH2 2.9Å; A112-R115 VanDerWaalsContact O-CB 3.31Å; A112-R115 WeakPolarHBondContact O-CB 3.4Å; A112-R115 PolarHBondContact O-N 2.99Å; A112-R115 VanDerWaalsContact O-N 3.17Å; T113-R115 PolarHBondContact O-N 3.43Å; R115-V134 HydrophobicContact CG-CG1 4.27Å; R115-D174 IonicContact CZ-OD1 3.13Å; R115-D174 IonicContact NH1-OD1 2.85Å; R115-D174 PolarHBondContact NH1-OD1 3.36Å; R115-D174 IonicContact NH2-OD1 3.12Å; R115-D174 IonicContact NH2-OD2 3.98Å |
| 116 | L | 92.1 | Very high | 89.8 | Confident | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -40.8 | 179.8 | -74.5 | 68.9 | 0 | 0 | 0 | 112.4 | A112 T113 A114 S212 Y216 F219 | A112-L116 WeakPolarHBondContact O-CD1 3.48Å; T113-L116 WeakPolarHBondContact O-CB 3.35Å; T113-L116 PolarHBondContact O-N 3.41Å; A114-L116 PolarHBondContact O-N 2.97Å; L116-S212 VanDerWaalsContact CA-OG 3.27Å; L116-S212 WeakPolarHBondContact CA-OG 3.46Å; L116-S212 PolarHBondContact O-OG 2.92Å; L116-Y216 HydrophobicContact CB-CD2 4.4Å; L116-F219 HydrophobicContact CD1-CD1 4.24Å; L116-F219 HydrophobicContact CD1-CE1 4.38Å; L116-F219 HydrophobicContact CD2-CB 3.99Å; L116-F219 HydrophobicContact CD2-CD1 3.87Å; L116-F219 HydrophobicContact CD2-CD2 3.52Å; L116-F219 HydrophobicContact CD2-CE1 4.22Å; L116-F219 HydrophobicContact CD2-CE2 3.9Å; L116-F219 HydrophobicContact CD2-CG 3.51Å; L116-F219 HydrophobicContact CD2-CZ 4.23Å |
| 117 | G | 89.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | trans | 92.5 | 115.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T113 P119 | T113-G117 PolarHBondContact O-N 2.99Å; G117-P119 WeakPolarHBondContact O-CD 3.43Å | ||
| 118 | D | 89.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.027 | 26% | 0.256 | C | S | . | . | trans | -79.3 | 117.4 | 175.5 | -173.7 | -4.3 | 0 | 0 | 0 | 111.1 | S120 R126 Y216 Q242 | D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 3.21Å; D118-S120 VanDerWaalsContact OD1-CB 3.22Å; D118-S120 WeakPolarHBondContact OD1-CB 3.31Å; D118-S120 PolarHBondContact OD1-N 3.28Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; D118-R126 PolarHBondContact O-NE 3.38Å; D118-R126 PolarHBondContact O-NH2 3.27Å; D118-Y216 HydrophobicContact CB-CD1 4.13Å; D118-Y216 HydrophobicContact CB-CD2 4.02Å; D118-Y216 HydrophobicContact CB-CE1 3.69Å; D118-Y216 HydrophobicContact CB-CE2 3.55Å; D118-Y216 HydrophobicContact CB-CG 4.28Å; D118-Y216 VanDerWaalsContact OD1-CE1 3.3Å; D118-Y216 WeakPolarHBondContact OD1-CE1 3.5Å; D118-Y216 WeakPolarHBondContact OD2-CE1 3.44Å; D118-Y216 PolarHBondContact OD2-OH 3.23Å; D118-Q242 PolarHBondContact OD2-NE2 2.82Å | ||
| 119 | P | 87.2 | Confident | 87.8 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.032 | 27% | 0.272 | C | S | . | . | trans | -71.9 | -15.7 | 177.4 | 26.4 | -32.5 | 0 | 0 | 0 | 114.4 | G117 G121 L122 M209 E213 | G117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-G121 PolarHBondContact O-N 3.22Å; P119-L122 PolarHBondContact O-N 3.13Å; P119-L122 VanDerWaalsContact O-N 3.13Å; P119-M209 HydrophobicContact CB-CE 3.67Å; P119-M209 HydrophobicContact CG-CE 4.09Å; P119-E213 HydrophobicContact CB-CG 3.63Å; P119-E213 VanDerWaalsContact CB-OE1 3.29Å; P119-E213 WeakPolarHBondContact CB-OE1 3.18Å; P119-E213 HydrophobicContact CG-CG 3.93Å | ||
| 120 | S | 83.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 123.9 | -169.3 | -85.6 | 0 | 0 | 0 | 0 | 113 | D118 L122 D241 N245 | D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 3.21Å; D118-S120 VanDerWaalsContact OD1-CB 3.22Å; D118-S120 WeakPolarHBondContact OD1-CB 3.31Å; D118-S120 PolarHBondContact OD1-N 3.28Å; D118-S120 PolarHBondContact OD1-OG 3.08Å; S120-L122 PolarHBondContact O-N 3.24Å; S120-D241 WeakPolarHBondContact CB-O 3.26Å; S120-D241 PolarHBondContact OG-O 3.43Å; S120-N245 PolarHBondContact OG-ND2 2.96Å |
| 121 | G | 78.2 | Confident | 87.3 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 10.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P119 | P119-G121 PolarHBondContact O-N 3.22Š|
| 122 | L | 78.6 | Confident | 87.3 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | trans | -111.4 | 146.9 | -179.3 | -60.4 | -179.9 | 0 | 0 | 0 | 112 | P119 S120 R126 | P119-L122 PolarHBondContact O-N 3.13Å; P119-L122 VanDerWaalsContact O-N 3.13Å; S120-L122 PolarHBondContact O-N 3.24Å; L122-R126 HydrophobicContact CD1-CG 3.81Å; L122-R126 VanDerWaalsContact CD1-NE 3.28Å | ||
| 123 | T | 77.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 60.9 Ų | 60.9 | 58% | 0.577 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -98.8 | -18.6 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 113 | R203 | T123-R203 PolarHBondContact O-NH1 3.27Å; T123-R203 VanDerWaalsContact O-NH1 3.13Å |
| 124 | K | 80.1 | Confident | 87.3 | Confident | 158 Ų | 158 | 60.7 Ų | 60.7 | 69% | 0.687 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -130.7 | 156.2 | -178.3 | -67.1 | -173.4 | -179.6 | -177.2 | 0 | 109.8 | R203 | K124-R203 VanDerWaalsContact CA-NH1 3.27Š|
| 125 | D | 77 | Confident | 87.4 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 151.7 | 174.2 | -162.2 | -0 | 0 | 0 | 0 | 110.6 | N210 | D125-N210 PolarHBondContact OD2-ND2 3.06Š|
| 126 | R | 80 | Confident | 87.6 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 146.4 | 174 | -64.4 | -171.7 | -171.4 | -169.5 | 7.3 | 109.5 | D78 T80 D118 L122 A128 | D78-R126 IonicContact OD2-CZ 2.8Å; D78-R126 IonicContact OD2-NH1 3.83Å; D78-R126 PolarHBondContact OD2-NH1 3.06Å; D78-R126 IonicContact OD2-NH2 3.83Å; D78-R126 PolarHBondContact OD2-NH2 3.46Å; T80-R126 PolarHBondContact OG1-NH1 3.07Å; D118-R126 PolarHBondContact O-NE 3.38Å; D118-R126 PolarHBondContact O-NH2 3.27Å; L122-R126 HydrophobicContact CD1-CG 3.81Å; L122-R126 VanDerWaalsContact CD1-NE 3.28Å; R126-A128 PolarHBondContact O-N 2.83Å |
| 127 | P | 82.2 | Confident | 87.9 | Confident | 114 Ų | 114 | 58.4 Ų | 58.4 | 74% | 0.74 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 130.6 | 165.5 | -21.8 | 33 | 0 | 0 | 0 | 109.9 | L129 | P127-L129 PolarHBondContact O-N 2.81Š|
| 128 | A | 81.9 | Confident | 88.3 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 86% | 0.86 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 129.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R126 | R126-A128 PolarHBondContact O-N 2.83Š|
| 129 | L | 89.1 | Confident | 88.7 | Confident | 68 Ų | 68 | 64.5 Ų | 64.5 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -99.4 | 143.6 | 172.7 | -62.3 | 175 | 0 | 0 | 0 | 109.4 | T80 P127 Q133 V134 | T80-L129 HydrophobicContact CG2-CD1 4.35Å; T80-L129 VanDerWaalsContact O-CD1 3.26Å; T80-L129 WeakPolarHBondContact O-CD1 3.12Å; P127-L129 PolarHBondContact O-N 2.81Å; L129-Q133 HydrophobicContact CD2-CG 4.26Å; L129-V134 HydrophobicContact CB-CG2 3.57Å; L129-V134 HydrophobicContact CD1-CG2 4.08Å; L129-V134 HydrophobicContact CG-CG2 4.49Å |
| 130 | S | 93.5 | Very high | 89.2 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 151.9 | 170.5 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | S132 Q133 V134 | S130-S132 PolarHBondContact O-N 3.04Å; S130-S132 PolarHBondContact OG-OG 3.49Å; S130-Q133 PolarHBondContact O-N 2.83Å; S130-Q133 WeakPolarHBondContact OG-CB 3.4Å; S130-Q133 PolarHBondContact OG-N 3.11Å; S130-Q133 VanDerWaalsContact OG-N 3.08Å; S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.46Å |
| 131 | V | 93.4 | Very high | 89.9 | Confident | 91 Ų | 91 | 66.5 Ų | 66.5 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -54.1 | -39.1 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | V134 A135 | V131-V134 PolarHBondContact O-N 3.17Å; V131-A135 WeakPolarHBondContact O-CB 3.42Å; V131-A135 PolarHBondContact O-N 3.23Å |
| 132 | S | 96.4 | Very high | 90.9 | Very high | 88 Ų | 88 | 65.2 Ų | 65.2 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 176.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | S130 A135 A136 | S130-S132 PolarHBondContact O-N 3.04Å; S130-S132 PolarHBondContact OG-OG 3.49Å; S132-A135 PolarHBondContact O-N 3.21Å; S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 2.96Å |
| 133 | Q | 97.1 | Very high | 91.9 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69 | -41.9 | 177.4 | -175.1 | 62.3 | 61.4 | 0 | 0 | 111.1 | L129 S130 A135 A136 N137 | L129-Q133 HydrophobicContact CD2-CG 4.26Å; S130-Q133 PolarHBondContact O-N 2.83Å; S130-Q133 WeakPolarHBondContact OG-CB 3.4Å; S130-Q133 PolarHBondContact OG-N 3.11Å; S130-Q133 VanDerWaalsContact OG-N 3.08Å; Q133-A135 VanDerWaalsContact C-N 3.35Å; Q133-A136 PolarHBondContact O-N 3.35Å; Q133-N137 PolarHBondContact NE2-OD1 3.47Å; Q133-N137 WeakPolarHBondContact O-CB 3.14Å; Q133-N137 PolarHBondContact O-N 2.95Å; Q133-N137 PolarHBondContact O-OD1 3.44Å |
| 134 | V | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.7 | 179.4 | 0 | 0 | 0 | 0 | 110.7 | P79 E111 A114 R115 L129 S130 V131 N137 A138 | P79-V134 HydrophobicContact CG-CG1 4.35Å; E111-V134 HydrophobicContact CG-CG1 3.86Å; E111-V134 WeakPolarHBondContact O-CG1 3.46Å; A114-V134 HydrophobicContact CB-CG1 3.73Å; R115-V134 HydrophobicContact CG-CG1 4.27Å; L129-V134 HydrophobicContact CB-CG2 3.57Å; L129-V134 HydrophobicContact CD1-CG2 4.08Å; L129-V134 HydrophobicContact CG-CG2 4.49Å; S130-V134 WeakPolarHBondContact O-CG2 3.44Å; S130-V134 PolarHBondContact O-N 3.46Å; V131-V134 PolarHBondContact O-N 3.17Å; V134-N137 PolarHBondContact O-N 3.12Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.01Å |
| 135 | A | 97.7 | Very high | 93.7 | Very high | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V131 S132 Q133 A138 Q139 | V131-A135 WeakPolarHBondContact O-CB 3.42Å; V131-A135 PolarHBondContact O-N 3.23Å; S132-A135 PolarHBondContact O-N 3.21Å; Q133-A135 VanDerWaalsContact C-N 3.35Å; A135-A138 PolarHBondContact O-N 3.37Å; A135-Q139 WeakPolarHBondContact O-CG 3.33Å; A135-Q139 PolarHBondContact O-N 3.33Å |
| 136 | A | 98 | Very high | 94.7 | Very high | 41 Ų | 41 | 56.3 Ų | 56.3 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S132 Q133 A138 Q139 T140 | S132-A136 WeakPolarHBondContact O-CB 3.4Å; S132-A136 PolarHBondContact O-N 2.96Å; Q133-A136 PolarHBondContact O-N 3.35Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.49Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.74Å; A136-T140 PolarHBondContact O-N 3.08Å; A136-T140 VanDerWaalsContact O-N 3.13Å |
| 137 | N | 98.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.027 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 174.6 | -68.1 | -6.4 | 0 | 0 | 0 | 112 | P79 T80 A81 D82 Q133 V134 Q139 T140 V141 | P79-N137 HydrophobicContact CB-CB 4Å; P79-N137 WeakPolarHBondContact O-CB 3.49Å; P79-N137 PolarHBondContact O-ND2 3.5Å; T80-N137 PolarHBondContact O-ND2 3.36Å; A81-N137 VanDerWaalsContact C-CG 3.41Å; A81-N137 WeakPolarHBondContact O-CB 3.27Å; D82-N137 WeakPolarHBondContact CA-OD1 3.36Å; D82-N137 PolarHBondContact N-OD1 3.5Å; Q133-N137 PolarHBondContact NE2-OD1 3.47Å; Q133-N137 WeakPolarHBondContact O-CB 3.14Å; Q133-N137 PolarHBondContact O-N 2.95Å; Q133-N137 PolarHBondContact O-OD1 3.44Å; V134-N137 PolarHBondContact O-N 3.12Å; N137-Q139 VanDerWaalsContact C-N 3.28Å; N137-Q139 PolarHBondContact O-N 2.99Å; N137-T140 PolarHBondContact O-N 3.02Å; N137-T140 PolarHBondContact O-OG1 3.2Å; N137-V141 WeakPolarHBondContact O-CB 3.25Å; N137-V141 VanDerWaalsContact O-CG2 3.3Å; N137-V141 WeakPolarHBondContact O-CG2 3.4Å; N137-V141 PolarHBondContact O-N 2.61Å |
| 138 | A | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -37.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | P79 I109 E111 V134 A135 A136 T142 | P79-A138 HydrophobicContact CB-CB 3.96Å; P79-A138 HydrophobicContact CG-CB 3.96Å; I109-A138 HydrophobicContact CG2-CB 3.96Å; E111-A138 HydrophobicContact CB-CB 3.81Å; E111-A138 HydrophobicContact CG-CB 3.7Å; E111-A138 WeakPolarHBondContact OE2-CB 3.25Å; V134-A138 WeakPolarHBondContact O-CB 3.37Å; V134-A138 PolarHBondContact O-N 3.01Å; A135-A138 PolarHBondContact O-N 3.37Å; A136-A138 VanDerWaalsContact C-N 3.33Å; A136-A138 PolarHBondContact O-N 3.49Å; A138-T142 VanDerWaalsContact O-CB 3.23Å; A138-T142 WeakPolarHBondContact O-CB 3.38Å; A138-T142 PolarHBondContact O-N 3.3Å; A138-T142 PolarHBondContact O-OG1 3.29Å |
| 139 | Q | 98.3 | Very high | 97 | Very high | 137 Ų | 137 | 47.6 Ų | 47.6 | 64% | 0.64 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -65 | -44.3 | 174.1 | -69 | 175.6 | 2.7 | 0 | 0 | 112.4 | A135 A136 N137 S143 | A135-Q139 WeakPolarHBondContact O-CG 3.33Å; A135-Q139 PolarHBondContact O-N 3.33Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.74Å; N137-Q139 VanDerWaalsContact C-N 3.28Å; N137-Q139 PolarHBondContact O-N 2.99Å; Q139-S143 WeakPolarHBondContact O-CB 3.39Å; Q139-S143 PolarHBondContact O-N 3.45Å; Q139-S143 PolarHBondContact O-OG 3.13Å |
| 140 | T | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 47.6 Ų | 47.6 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 178.6 | 61 | 0 | 0 | 0 | 0 | 111.4 | D82 A136 N137 T142 S143 Q144 | D82-T140 VanDerWaalsContact C-OG1 3.28Å; D82-T140 WeakPolarHBondContact CA-OG1 3.16Å; D82-T140 VanDerWaalsContact O-CB 3.29Å; D82-T140 WeakPolarHBondContact O-CB 3.36Å; D82-T140 PolarHBondContact O-OG1 2.9Å; A136-T140 PolarHBondContact O-N 3.08Å; A136-T140 VanDerWaalsContact O-N 3.13Å; N137-T140 PolarHBondContact O-N 3.02Å; N137-T140 PolarHBondContact O-OG1 3.2Å; T140-T142 PolarHBondContact O-N 2.94Å; T140-S143 WeakPolarHBondContact O-CB 3.42Å; T140-S143 PolarHBondContact O-N 2.92Å; T140-S143 VanDerWaalsContact O-N 3.16Å; T140-Q144 WeakPolarHBondContact O-CG 3.18Å; T140-Q144 PolarHBondContact O-N 2.92Å |
| 141 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.8 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | F77 P79 L84 I109 N137 S143 Q144 V145 | F77-V141 HydrophobicContact CB-CG1 4.24Å; P79-V141 HydrophobicContact CB-CG2 4.24Å; L84-V141 HydrophobicContact CD1-CG1 4.12Å; L84-V141 HydrophobicContact CD2-CG1 3.73Å; L84-V141 HydrophobicContact CD2-CG2 4.16Å; L84-V141 HydrophobicContact CG-CG1 3.88Å; L84-V141 HydrophobicContact CG-CG2 4.27Å; I109-V141 HydrophobicContact CD1-CG1 4.02Å; N137-V141 WeakPolarHBondContact O-CB 3.25Å; N137-V141 VanDerWaalsContact O-CG2 3.3Å; N137-V141 WeakPolarHBondContact O-CG2 3.4Å; N137-V141 PolarHBondContact O-N 2.61Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.1Å; V141-Q144 PolarHBondContact O-N 3.31Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.29Å; V141-V145 PolarHBondContact O-N 2.91Å |
| 142 | T | 98.6 | Very high | 97.6 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 17% | 0.166 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.4 | -45.3 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 111 | A138 T140 V145 K146 V166 | A138-T142 VanDerWaalsContact O-CB 3.23Å; A138-T142 WeakPolarHBondContact O-CB 3.38Å; A138-T142 PolarHBondContact O-N 3.3Å; A138-T142 PolarHBondContact O-OG1 3.29Å; T140-T142 PolarHBondContact O-N 2.94Å; T142-V145 PolarHBondContact O-N 3.31Å; T142-K146 HydrophobicContact CG2-CD 4.16Å; T142-K146 WeakPolarHBondContact O-CB 3.27Å; T142-K146 WeakPolarHBondContact O-CG 3.5Å; T142-K146 PolarHBondContact O-N 2.77Å; T142-V166 HydrophobicContact CG2-CG1 4.03Å |
| 143 | S | 98.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 54% | 0.538 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 179.8 | -58.6 | 0 | 0 | 0 | 0 | 111.9 | Q139 T140 V141 K147 | Q139-S143 WeakPolarHBondContact O-CB 3.39Å; Q139-S143 PolarHBondContact O-N 3.45Å; Q139-S143 PolarHBondContact O-OG 3.13Å; T140-S143 WeakPolarHBondContact O-CB 3.42Å; T140-S143 PolarHBondContact O-N 2.92Å; T140-S143 VanDerWaalsContact O-N 3.16Å; V141-S143 VanDerWaalsContact C-N 3.27Å; V141-S143 PolarHBondContact O-N 3.1Å; S143-K147 VanDerWaalsContact O-CB 3.25Å; S143-K147 WeakPolarHBondContact O-CB 3.31Å; S143-K147 PolarHBondContact O-N 3.21Å |
| 144 | Q | 98.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 40 Ų | 40 | 11% | 0.112 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.2 | -48.7 | 175 | -73.9 | -176.7 | -37.4 | 0 | 0 | 112.1 | S83 T140 V141 K146 K147 I148 S288 | S83-Q144 PolarHBondContact OG-NE2 2.97Å; T140-Q144 WeakPolarHBondContact O-CG 3.18Å; T140-Q144 PolarHBondContact O-N 2.92Å; V141-Q144 PolarHBondContact O-N 3.31Å; Q144-K146 PolarHBondContact O-N 3.04Å; Q144-K147 PolarHBondContact O-N 3.49Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.23Å; Q144-S288 VanDerWaalsContact NE2-CA 3.32Å |
| 145 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 179 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | L84 L92 A107 I109 V141 T142 K147 I148 F149 V166 | L84-V145 HydrophobicContact CD1-CG2 3.78Å; L92-V145 HydrophobicContact CD2-CG1 4.15Å; L92-V145 HydrophobicContact CD2-CG2 4.35Å; A107-V145 HydrophobicContact CB-CG1 3.66Å; I109-V145 HydrophobicContact CD1-CG2 4.41Å; V141-V145 HydrophobicContact CG1-CG2 4.44Å; V141-V145 WeakPolarHBondContact O-CG2 3.29Å; V141-V145 PolarHBondContact O-N 2.91Å; T142-V145 PolarHBondContact O-N 3.31Å; V145-K147 VanDerWaalsContact C-N 3.33Å; V145-K147 PolarHBondContact O-N 3.21Å; V145-I148 PolarHBondContact O-N 3.15Å; V145-F149 HydrophobicContact CG1-CD2 4.07Å; V145-F149 HydrophobicContact CG1-CE1 4.34Å; V145-F149 HydrophobicContact CG1-CE2 3.52Å; V145-F149 HydrophobicContact CG1-CZ 3.69Å; V145-F149 WeakPolarHBondContact O-CG 3.43Å; V145-F149 PolarHBondContact O-N 3.42Å; V145-V166 HydrophobicContact CG1-CG1 4.47Å; V145-V166 HydrophobicContact CG1-CG2 3.9Å |
| 146 | K | 97.8 | Very high | 96.7 | Very high | 111 Ų | 111 | 43.8 Ų | 43.8 | 48% | 0.483 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.8 | -39 | 176.7 | -72.9 | 179.9 | 178 | 179.8 | 0 | 112.8 | T142 Q144 F149 T150 V166 | T142-K146 HydrophobicContact CG2-CD 4.16Å; T142-K146 WeakPolarHBondContact O-CB 3.27Å; T142-K146 WeakPolarHBondContact O-CG 3.5Å; T142-K146 PolarHBondContact O-N 2.77Å; Q144-K146 PolarHBondContact O-N 3.04Å; K146-F149 PolarHBondContact O-N 3.13Å; K146-T150 PolarHBondContact O-N 3.46Å; K146-T150 PolarHBondContact O-OG1 2.88Å; K146-V166 HydrophobicContact CG-CB 4.34Å; K146-V166 HydrophobicContact CG-CG2 3.9Å |
| 147 | K | 97.4 | Very high | 96.1 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 38% | 0.378 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -45.2 | 175.8 | -179.4 | 174.7 | 175.3 | 177.8 | 0 | 111 | S143 Q144 V145 F149 T150 N151 V352 H353 | S143-K147 VanDerWaalsContact O-CB 3.25Å; S143-K147 WeakPolarHBondContact O-CB 3.31Å; S143-K147 PolarHBondContact O-N 3.21Å; Q144-K147 PolarHBondContact O-N 3.49Å; V145-K147 VanDerWaalsContact C-N 3.33Å; V145-K147 PolarHBondContact O-N 3.21Å; K147-F149 VanDerWaalsContact C-N 3.34Å; K147-F149 PolarHBondContact O-N 3.46Å; K147-T150 PolarHBondContact O-N 3.2Å; K147-N151 WeakPolarHBondContact O-CB 3.38Å; K147-N151 VanDerWaalsContact O-CG 3.3Å; K147-N151 PolarHBondContact O-N 3.29Å; K147-N151 PolarHBondContact O-ND2 2.97Å; K147-V352 WeakPolarHBondContact CE-O 3.18Å; K147-H353 WeakPolarHBondContact CE-O 3.42Å; K147-H353 PolarHBondContact NZ-O 2.93Å |
| 148 | I | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -44.3 | 176.5 | -75 | 166.9 | 0 | 0 | 0 | 111 | L89 L92 L96 Q144 V145 N151 F152 L287 L351 | L89-I148 HydrophobicContact CD1-CD1 4.37Å; L92-I148 HydrophobicContact CD1-CD1 3.66Å; L96-I148 HydrophobicContact CD1-CG2 3.98Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 3.23Å; V145-I148 PolarHBondContact O-N 3.15Å; I148-N151 PolarHBondContact O-N 3.33Å; I148-F152 WeakPolarHBondContact O-CB 3.44Å; I148-F152 PolarHBondContact O-N 3.34Å; I148-L287 HydrophobicContact CD1-CD1 3.88Å; I148-L351 HydrophobicContact CG2-CD1 4.02Å; I148-L351 HydrophobicContact CG2-CD2 4.48Å; I148-L351 HydrophobicContact CG2-CG 4.03Å |
| 149 | F | 97 | Very high | 93.9 | Very high | 11 Ų | 11 | 55.6 Ų | 55.6 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.5 | -65 | -19.6 | 0 | 0 | 0 | 113 | L92 L96 I105 A107 V145 K146 K147 F152 D153 P164 V166 | L92-F149 HydrophobicContact CD2-CE1 3.99Å; L92-F149 HydrophobicContact CD2-CZ 4.2Å; L96-F149 HydrophobicContact CD1-CD1 4.4Å; L96-F149 HydrophobicContact CD2-CD1 3.7Å; L96-F149 HydrophobicContact CD2-CE1 3.99Å; L96-F149 HydrophobicContact CG-CD1 4.24Å; L96-F149 HydrophobicContact CG-CE1 4.23Å; I105-F149 HydrophobicContact CG2-CZ 4.25Å; A107-F149 HydrophobicContact CB-CE2 4.2Å; A107-F149 HydrophobicContact CB-CZ 4.1Å; V145-F149 HydrophobicContact CG1-CD2 4.07Å; V145-F149 HydrophobicContact CG1-CE1 4.34Å; V145-F149 HydrophobicContact CG1-CE2 3.52Å; V145-F149 HydrophobicContact CG1-CZ 3.69Å; V145-F149 WeakPolarHBondContact O-CG 3.43Å; V145-F149 PolarHBondContact O-N 3.42Å; K146-F149 PolarHBondContact O-N 3.13Å; K147-F149 VanDerWaalsContact C-N 3.34Å; K147-F149 PolarHBondContact O-N 3.46Å; F149-F152 WeakPolarHBondContact O-CB 3.37Å; F149-F152 PolarHBondContact O-N 3.22Å; F149-D153 PolarHBondContact O-N 2.85Å; F149-P164 HydrophobicContact CB-CG 4.34Å; F149-P164 HydrophobicContact CD1-CG 4.29Å; F149-P164 HydrophobicContact CD2-CB 3.42Å; F149-P164 VanDerWaalsContact CD2-CB 3.42Å; F149-P164 HydrophobicContact CD2-CG 3.73Å; F149-P164 HydrophobicContact CE1-CB 4.5Å; F149-P164 HydrophobicContact CE2-CB 3.28Å; F149-P164 HydrophobicContact CE2-CG 3.97Å; F149-P164 HydrophobicContact CG-CB 4.1Å; F149-P164 HydrophobicContact CG-CG 3.89Å; F149-P164 HydrophobicContact CZ-CB 3.87Å; F149-P164 HydrophobicContact CZ-CG 4.34Å; F149-V166 HydrophobicContact CD2-CG2 3.98Å; F149-V166 HydrophobicContact CE2-CG2 3.69Å |
| 150 | T | 95.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 174.8 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | K146 K147 F152 D153 R154 | K146-T150 PolarHBondContact O-N 3.46Å; K146-T150 PolarHBondContact O-OG1 2.88Å; K147-T150 PolarHBondContact O-N 3.2Å; T150-F152 VanDerWaalsContact C-N 3.32Å; T150-D153 PolarHBondContact O-N 3.36Å; T150-R154 PolarHBondContact O-N 2.85Å |
| 151 | N | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.7 | -32.5 | 178.7 | -75.2 | -19.3 | 0 | 0 | 0 | 112.5 | K147 I148 D153 R154 L155 L350 L351 G354 | K147-N151 WeakPolarHBondContact O-CB 3.38Å; K147-N151 VanDerWaalsContact O-CG 3.3Å; K147-N151 PolarHBondContact O-N 3.29Å; K147-N151 PolarHBondContact O-ND2 2.97Å; I148-N151 PolarHBondContact O-N 3.33Å; N151-D153 VanDerWaalsContact C-N 3.34Å; N151-R154 WeakPolarHBondContact O-CB 3.26Å; N151-R154 PolarHBondContact O-N 2.76Å; N151-R154 PolarHBondContact OD1-NH1 3.02Å; N151-L155 PolarHBondContact O-N 3.48Å; N151-L350 WeakPolarHBondContact CB-O 3.4Å; N151-L350 PolarHBondContact ND2-O 2.84Å; N151-L351 WeakPolarHBondContact CB-O 3.48Å; N151-L351 PolarHBondContact ND2-O 3.42Å; N151-G354 WeakPolarHBondContact ND2-CA 3.1Å; N151-G354 PolarHBondContact ND2-N 3.27Å |
| 152 | F | 96.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 172.7 | 179 | -99.5 | 0 | 0 | 0 | 111.6 | L96 L100 I148 F149 T150 R154 L155 Q156 A160 F318 L351 | L96-F152 HydrophobicContact CB-CD2 4.09Å; L96-F152 HydrophobicContact CB-CE2 3.99Å; L96-F152 HydrophobicContact CB-CG 4.42Å; L96-F152 HydrophobicContact CB-CZ 4.21Å; L96-F152 HydrophobicContact CD1-CB 3.92Å; L96-F152 HydrophobicContact CD1-CD2 3.79Å; L96-F152 HydrophobicContact CD1-CG 3.87Å; L96-F152 HydrophobicContact CD2-CB 4.04Å; L96-F152 HydrophobicContact CD2-CD1 3.67Å; L96-F152 HydrophobicContact CD2-CD2 4.19Å; L96-F152 HydrophobicContact CD2-CE1 4.11Å; L96-F152 HydrophobicContact CD2-CG 3.67Å; L96-F152 HydrophobicContact CG-CD2 4.25Å; L96-F152 HydrophobicContact CG-CG 4.2Å; L100-F152 HydrophobicContact CD1-CZ 3.92Å; L100-F152 HydrophobicContact CD2-CE1 4.02Å; L100-F152 HydrophobicContact CD2-CZ 3.64Å; L100-F152 HydrophobicContact CG-CE1 4.36Å; L100-F152 HydrophobicContact CG-CZ 3.67Å; I148-F152 WeakPolarHBondContact O-CB 3.44Å; I148-F152 PolarHBondContact O-N 3.34Å; F149-F152 WeakPolarHBondContact O-CB 3.37Å; F149-F152 PolarHBondContact O-N 3.22Å; T150-F152 VanDerWaalsContact C-N 3.32Å; F152-R154 PolarHBondContact O-N 2.85Å; F152-L155 WeakPolarHBondContact O-CB 3.3Å; F152-L155 PolarHBondContact O-N 3.45Å; F152-L155 VanDerWaalsContact O-N 3.08Å; F152-Q156 HydrophobicContact CD1-CG 4.16Å; F152-Q156 HydrophobicContact CD2-CG 4.4Å; F152-Q156 HydrophobicContact CE1-CG 3.69Å; F152-Q156 HydrophobicContact CE2-CG 3.92Å; F152-Q156 HydrophobicContact CZ-CG 3.56Å; F152-Q156 WeakPolarHBondContact O-CG 3.16Å; F152-Q156 PolarHBondContact O-N 3.43Å; F152-A160 HydrophobicContact CE1-CB 4.34Å; F152-F318 HydrophobicContact CD2-CD2 4.27Å; F152-F318 HydrophobicContact CD2-CE1 4.09Å; F152-F318 AromaticContact CD2-CE2 3.77Å; F152-F318 HydrophobicContact CD2-CE2 3.77Å; F152-F318 AromaticContact CD2-CZ 3.66Å; F152-F318 HydrophobicContact CD2-CZ 3.66Å; F152-F318 AromaticContact CE2-CD1 3.64Å; F152-F318 HydrophobicContact CE2-CD1 3.64Å; F152-F318 AromaticContact CE2-CD2 3.92Å; F152-F318 HydrophobicContact CE2-CD2 3.92Å; F152-F318 AromaticContact CE2-CE1 3.48Å; F152-F318 HydrophobicContact CE2-CE1 3.48Å; F152-F318 VanDerWaalsContact CE2-CE1 3.48Å; F152-F318 AromaticContact CE2-CE2 3.76Å; F152-F318 HydrophobicContact CE2-CE2 3.76Å; F152-F318 AromaticContact CE2-CG 3.85Å; F152-F318 HydrophobicContact CE2-CG 3.85Å; F152-F318 AromaticContact CE2-CZ 3.54Å; F152-F318 HydrophobicContact CE2-CZ 3.54Å; F152-F318 HydrophobicContact CZ-CD1 4.4Å; F152-F318 HydrophobicContact CZ-CE1 4.37Å; F152-L351 HydrophobicContact CB-CD1 3.72Å; F152-L351 HydrophobicContact CD2-CD1 4.18Å; F152-L351 HydrophobicContact CG-CD1 4.47Å |
| 153 | D | 94.1 | Very high | 89.7 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.9 | -35.3 | 177.2 | -67.6 | -14.2 | 0 | 0 | 0 | 111.7 | R99 F149 T150 N151 Q156 N157 A158 A160 | R99-D153 IonicContact CZ-OD1 4Å; R99-D153 IonicContact CZ-OD2 3.02Å; R99-D153 IonicContact NH1-OD1 3.98Å; R99-D153 PolarHBondContact NH1-OD1 2.91Å; R99-D153 IonicContact NH1-OD2 2.72Å; R99-D153 IonicContact NH2-OD1 3.14Å; R99-D153 PolarHBondContact NH2-OD1 3.33Å; R99-D153 IonicContact NH2-OD2 2.99Å; R99-D153 PolarHBondContact NH2-OD2 2.75Å; R99-D153 VanDerWaalsContact NH2-OD2 3.13Å; F149-D153 PolarHBondContact O-N 2.85Å; T150-D153 PolarHBondContact O-N 3.36Å; N151-D153 VanDerWaalsContact C-N 3.34Å; D153-Q156 PolarHBondContact O-N 2.72Å; D153-N157 PolarHBondContact O-N 3.46Å; D153-A158 WeakPolarHBondContact CA-O 3.32Å; D153-A158 PolarHBondContact O-N 2.8Å; D153-A158 VanDerWaalsContact O-N 3.13Å; D153-A158 VanDerWaalsContact O-O 3.13Å; D153-A160 PolarHBondContact OD1-N 3.42Å |
| 154 | R | 91.9 | Very high | 89.4 | Confident | 131 Ų | 131 | 52.6 Ų | 52.6 | 49% | 0.494 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 170.9 | -64.7 | 178.3 | -179.9 | 124.3 | 0.5 | 112.1 | T150 N151 F152 Q156 N157 | T150-R154 PolarHBondContact O-N 2.85Å; N151-R154 WeakPolarHBondContact O-CB 3.26Å; N151-R154 PolarHBondContact O-N 2.76Å; N151-R154 PolarHBondContact OD1-NH1 3.02Å; F152-R154 PolarHBondContact O-N 2.85Å; R154-Q156 PolarHBondContact O-N 3.34Å; R154-N157 PolarHBondContact O-N 3.26Å; R154-N157 PolarHBondContact O-OD1 3.02Å |
| 155 | L | 91.6 | Very high | 89.3 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -35.1 | 178.4 | 176.2 | 65.7 | 0 | 0 | 0 | 111.8 | N151 F152 N157 F318 Q347 L350 | N151-L155 PolarHBondContact O-N 3.48Å; F152-L155 WeakPolarHBondContact O-CB 3.3Å; F152-L155 PolarHBondContact O-N 3.45Å; F152-L155 VanDerWaalsContact O-N 3.08Å; L155-N157 VanDerWaalsContact C-N 3.3Å; L155-F318 HydrophobicContact CD2-CD2 3.6Å; L155-F318 HydrophobicContact CD2-CE2 3.9Å; L155-Q347 HydrophobicContact CD1-CG 4.24Å; L155-L350 HydrophobicContact CB-CD2 4.26Å; L155-L350 HydrophobicContact CD1-CD2 3.89Å |
| 156 | Q | 89.9 | Confident | 89.3 | Confident | 66 Ų | 66 | 53.5 Ų | 53.5 | 31% | 0.308 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -1.6 | 176.8 | -61.7 | -57.7 | -55.6 | 0 | 0 | 113.7 | L100 F152 D153 R154 A158 | L100-Q156 HydrophobicContact CD2-CG 4.13Å; F152-Q156 HydrophobicContact CD1-CG 4.16Å; F152-Q156 HydrophobicContact CD2-CG 4.4Å; F152-Q156 HydrophobicContact CE1-CG 3.69Å; F152-Q156 HydrophobicContact CE2-CG 3.92Å; F152-Q156 HydrophobicContact CZ-CG 3.56Å; F152-Q156 WeakPolarHBondContact O-CG 3.16Å; F152-Q156 PolarHBondContact O-N 3.43Å; D153-Q156 PolarHBondContact O-N 2.72Å; R154-Q156 PolarHBondContact O-N 3.34Å; Q156-A158 PolarHBondContact O-N 2.81Å |
| 157 | N | 86.2 | Confident | 89.3 | Confident | 156 Ų | 156 | 48.7 Ų | 48.7 | 83% | 0.834 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 25.3 | -172.4 | -64.1 | -52.5 | 0 | 0 | 0 | 114.1 | D153 R154 L155 | D153-N157 PolarHBondContact O-N 3.46Å; R154-N157 PolarHBondContact O-N 3.26Å; R154-N157 PolarHBondContact O-OD1 3.02Å; L155-N157 VanDerWaalsContact C-N 3.3Å |
| 158 | A | 79.1 | Confident | 89.3 | Confident | 59 Ų | 59 | 46 Ų | 46 | 49% | 0.488 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -159.1 | 140 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110 | D153 Q156 A160 | D153-A158 WeakPolarHBondContact CA-O 3.32Å; D153-A158 PolarHBondContact O-N 2.8Å; D153-A158 VanDerWaalsContact O-N 3.13Å; D153-A158 VanDerWaalsContact O-O 3.13Å; Q156-A158 PolarHBondContact O-N 2.81Å; A158-A160 PolarHBondContact O-N 3.25Å |
| 159 | A | 72.3 | Confident | 89.3 | Confident | 81 Ų | 81 | 45.9 Ų | 45.9 | 67% | 0.669 | 27% | 0.266 | S | S | * | . | trans | -68.5 | 97.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | T161 | A159-T161 PolarHBondContact O-N 2.91Š| ||
| 160 | A | 68.4 | Low | 89.3 | Confident | 19 Ų | 19 | 46.4 Ų | 46.4 | 16% | 0.157 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 127.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R99 F152 D153 A158 P162 | R99-A160 PolarHBondContact NE-O 3.26Å; R99-A160 PolarHBondContact NH2-O 2.9Å; F152-A160 HydrophobicContact CE1-CB 4.34Å; D153-A160 PolarHBondContact OD1-N 3.42Å; A158-A160 PolarHBondContact O-N 3.25Å; A160-P162 CarbonylContact O-C 3.58Å |
| 161 | T | 70.2 | Confident | 89.3 | Confident | 101 Ų | 101 | 45.3 Ų | 45.3 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -98 | 136 | 171.2 | 55.2 | 0 | 0 | 0 | 0 | 109.4 | A159 | A159-T161 PolarHBondContact O-N 2.91Š|
| 162 | P | 79.4 | Confident | 89.3 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | S | Bend | cis | -79.7 | 156.2 | 5.6 | 31.7 | -35.1 | 0 | 0 | 0 | 115.4 | R28 L32 R99 F103 A160 | R28-P162 VanDerWaalsContact CZ-CB 3.45Å; L32-P162 HydrophobicContact CD1-CG 4.31Å; R99-P162 PolarHBondContact NE-O 2.9Å; F103-P162 VanDerWaalsContact O-CG 3.25Å; F103-P162 WeakPolarHBondContact O-CG 3.39Å; A160-P162 CarbonylContact O-C 3.58Å |
| 163 | V | 86.1 | Confident | 89.3 | Confident | 94 Ų | 94 | 47.1 Ų | 47.1 | 57% | 0.57 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 128.4 | 171.1 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 164 | P | 93.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 10% | 0.104 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 142.3 | 178 | -24.1 | 35.6 | 0 | 0 | 0 | 112.5 | R99 I105 F149 | R99-P164 VanDerWaalsContact CZ-CD 3.48Å; I105-P164 HydrophobicContact CB-CB 4.15Å; I105-P164 HydrophobicContact CB-CG 4.43Å; I105-P164 HydrophobicContact CG2-CB 4.26Å; I105-P164 CarbonylContact O-C 3.59Å; I105-P164 WeakPolarHBondContact O-CA 3.4Å; F149-P164 HydrophobicContact CB-CG 4.34Å; F149-P164 HydrophobicContact CD1-CG 4.29Å; F149-P164 HydrophobicContact CD2-CB 3.42Å; F149-P164 VanDerWaalsContact CD2-CB 3.42Å; F149-P164 HydrophobicContact CD2-CG 3.73Å; F149-P164 HydrophobicContact CE1-CB 4.5Å; F149-P164 HydrophobicContact CE2-CB 3.28Å; F149-P164 HydrophobicContact CE2-CG 3.97Å; F149-P164 HydrophobicContact CG-CB 4.1Å; F149-P164 HydrophobicContact CG-CG 3.89Å; F149-P164 HydrophobicContact CZ-CB 3.87Å; F149-P164 HydrophobicContact CZ-CG 4.34Å |
| 165 | L | 95.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 50.7 Ų | 50.7 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 123.1 | 171.6 | 174 | 61.6 | 0 | 0 | 0 | 109.7 | Y21 F22 Y25 I105 I106 A107 I167 T231 | Y21-L165 HydrophobicContact CE1-CD1 4.03Å; F22-L165 HydrophobicContact CE1-CD2 3.92Å; Y25-L165 HydrophobicContact CE2-CB 4.03Å; I105-L165 PolarHBondContact O-N 3.49Å; I106-L165 CarbonylContact C-O 3.58Å; I106-L165 WeakPolarHBondContact CA-O 3.46Å; I106-L165 HydrophobicContact CG1-CB 4.27Å; I106-L165 HydrophobicContact CG1-CD2 4.3Å; I106-L165 HydrophobicContact CG2-CD2 4.32Å; I106-L165 HydrophobicContact CG2-CG 4.42Å; A107-L165 PolarHBondContact N-O 2.95Å; L165-I167 HydrophobicContact CD1-CB 4.47Å; L165-I167 HydrophobicContact CG-CB 4.32Å; L165-T231 HydrophobicContact CD2-CG2 4.13Å |
| 166 | V | 97.8 | Very high | 89.4 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 116 | 168 | -173.1 | 0 | 0 | 0 | 0 | 108 | A107 I109 T142 V145 K146 F149 | A107-V166 HydrophobicContact CB-CG2 4.35Å; A107-V166 WeakPolarHBondContact O-CA 3.38Å; I109-V166 HydrophobicContact CD1-CG1 4.19Å; I109-V166 HydrophobicContact CG1-CG1 4.02Å; T142-V166 HydrophobicContact CG2-CG1 4.03Å; V145-V166 HydrophobicContact CG1-CG1 4.47Å; V145-V166 HydrophobicContact CG1-CG2 3.9Å; K146-V166 HydrophobicContact CG-CB 4.34Å; K146-V166 HydrophobicContact CG-CG2 3.9Å; F149-V166 HydrophobicContact CD2-CG2 3.98Å; F149-V166 HydrophobicContact CE2-CG2 3.69Å |
| 167 | I | 97.6 | Very high | 89.7 | Confident | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 149.7 | -174.9 | -169.8 | 167.8 | 0 | 0 | 0 | 110.1 | F22 I106 A107 L108 I109 L165 W172 L227 | F22-I167 HydrophobicContact CE1-CD1 4.41Å; F22-I167 HydrophobicContact CZ-CD1 3.81Å; I106-I167 HydrophobicContact CG2-CG2 3.99Å; A107-I167 PolarHBondContact O-N 3.15Å; L108-I167 CarbonylContact C-O 3.58Å; L108-I167 WeakPolarHBondContact CA-O 3.44Å; L108-I167 HydrophobicContact CD1-CG2 3.8Å; I109-I167 PolarHBondContact N-O 3.43Å; L165-I167 HydrophobicContact CD1-CB 4.47Å; L165-I167 HydrophobicContact CG-CB 4.32Å; I167-W172 HydrophobicContact CD1-CZ3 3.85Å; I167-W172 HydrophobicContact CG1-CZ3 4.16Å; I167-L227 HydrophobicContact CG2-CD2 3.98Å |
| 168 | N | 98.4 | Very high | 90.1 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 16% | 0.16 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133 | -179.1 | -172.7 | -15.3 | 0 | 0 | 0 | 109.8 | I109 E111 V170 E171 | I109-N168 HydrophobicContact CB-CB 4.11Å; I109-N168 WeakPolarHBondContact O-CA 3.48Å; I109-N168 PolarHBondContact O-OD1 3.36Å; I109-N168 VanDerWaalsContact O-OD1 3.09Å; E111-N168 WeakPolarHBondContact CB-OD1 3.36Å; E111-N168 PolarHBondContact OE2-ND2 3.19Å; N168-V170 HydrophobicContact CB-CG2 4.2Å; N168-V170 PolarHBondContact O-N 3.06Å; N168-V170 PolarHBondContact OD1-N 3.49Å; N168-E171 WeakPolarHBondContact O-CB 3.25Å; N168-E171 PolarHBondContact O-N 2.89Å |
| 169 | N | 98.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -13.3 | -173.3 | 63.1 | 2.9 | 0 | 0 | 0 | 115.1 | L108 I109 E111 A112 T113 E171 W172 F173 D223 | L108-N169 HydrophobicContact CD1-CB 4.09Å; I109-N169 PolarHBondContact O-N 2.96Å; I109-N169 PolarHBondContact O-OD1 3.48Å; E111-N169 PolarHBondContact N-OD1 3.33Å; A112-N169 WeakPolarHBondContact CB-OD1 3.49Å; A112-N169 PolarHBondContact N-OD1 3.02Å; T113-N169 WeakPolarHBondContact CG2-ND2 3.26Å; T113-N169 PolarHBondContact OG1-ND2 2.94Å; N169-E171 PolarHBondContact O-N 3.12Å; N169-E171 VanDerWaalsContact O-N 3.14Å; N169-W172 HydrophobicContact CB-CD2 4.4Å; N169-W172 HydrophobicContact CB-CH2 3.99Å; N169-W172 HydrophobicContact CB-CZ2 3.3Å; N169-W172 PolarHBondContact O-N 3.07Å; N169-W172 VanDerWaalsContact O-N 3.14Å; N169-F173 HydrophobicContact CB-CD2 3.91Å; N169-F173 HydrophobicContact CB-CE2 4.14Å; N169-F173 WeakPolarHBondContact O-CD2 3.46Å; N169-F173 PolarHBondContact O-N 3.44Å; N169-D223 VanDerWaalsContact CB-OD1 3.23Å; N169-D223 WeakPolarHBondContact CB-OD1 3.25Å; N169-D223 PolarHBondContact ND2-OD1 3.05Å; N169-D223 PolarHBondContact ND2-OD2 2.94Å |
| 170 | V | 97.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 14% | 0.139 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.4 | -22.4 | 166.5 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | E111 A112 N168 W172 D174 | E111-V170 HydrophobicContact CB-CG1 3.84Å; E111-V170 HydrophobicContact CG-CG1 3.96Å; A112-V170 HydrophobicContact CB-CG1 4.05Å; N168-V170 HydrophobicContact CB-CG2 4.2Å; N168-V170 PolarHBondContact O-N 3.06Å; N168-V170 PolarHBondContact OD1-N 3.49Å; V170-W172 PolarHBondContact O-N 3.46Å; V170-W172 VanDerWaalsContact O-N 3.15Å; V170-D174 WeakPolarHBondContact O-CB 3.48Å; V170-D174 PolarHBondContact O-N 2.99Å |
| 171 | E | 95.6 | Very high | 93.2 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 21% | 0.206 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.4 | -29.2 | 174.9 | 179.2 | 171.3 | 164.1 | 0 | 0 | 113.5 | R18 N168 N169 H175 R230 | R18-E171 IonicContact CZ-OE1 3.96Å; R18-E171 IonicContact NH1-OE1 2.83Å; R18-E171 PolarHBondContact NH1-OE1 3.31Å; R18-E171 IonicContact NH1-OE2 2.9Å; R18-E171 PolarHBondContact NH1-OE2 3.37Å; N168-E171 WeakPolarHBondContact O-CB 3.25Å; N168-E171 PolarHBondContact O-N 2.89Å; N169-E171 PolarHBondContact O-N 3.12Å; N169-E171 VanDerWaalsContact O-N 3.14Å; E171-H175 PolarHBondContact O-CD2 3.29Å; E171-R230 IonicContact OE1-CZ 2.9Å; E171-R230 IonicContact OE1-NH1 2.77Å; E171-R230 PolarHBondContact OE1-NH1 2.75Å; E171-R230 IonicContact OE1-NH2 3.81Å |
| 172 | W | 96.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -108.5 | -40.6 | 170.7 | 49.2 | 89.8 | 0 | 0 | 0 | 112.3 | L108 I167 N169 V170 D174 H175 L176 D223 E226 L227 | L108-W172 HydrophobicContact CD1-CH2 3.5Å; L108-W172 VanDerWaalsContact CD1-CH2 3.5Å; L108-W172 HydrophobicContact CD1-CZ2 3.91Å; I167-W172 HydrophobicContact CD1-CZ3 3.85Å; I167-W172 HydrophobicContact CG1-CZ3 4.16Å; N169-W172 HydrophobicContact CB-CD2 4.4Å; N169-W172 HydrophobicContact CB-CH2 3.99Å; N169-W172 HydrophobicContact CB-CZ2 3.3Å; N169-W172 PolarHBondContact O-N 3.07Å; N169-W172 VanDerWaalsContact O-N 3.14Å; V170-W172 PolarHBondContact O-N 3.46Å; V170-W172 VanDerWaalsContact O-N 3.15Å; W172-D174 PolarHBondContact O-N 3.24Å; W172-H175 CarbonylContact O-C 3.37Å; W172-H175 PolarHBondContact O-N 3.19Å; W172-H175 VanDerWaalsContact O-N 3.13Å; W172-L176 WeakPolarHBondContact O-CB 3.38Å; W172-L176 PolarHBondContact O-N 2.86Å; W172-D223 HydrophobicContact CZ2-CB 4.02Å; W172-D223 WeakPolarHBondContact CZ2-OD1 3.45Å; W172-D223 PolarHBondContact NE1-OD1 2.81Å; W172-E226 HydrophobicContact CB-CG 4.29Å; W172-E226 HydrophobicContact CD2-CB 4.08Å; W172-E226 HydrophobicContact CD2-CG 4.24Å; W172-E226 HydrophobicContact CE3-CB 4.38Å; W172-E226 HydrophobicContact CG-CB 4.4Å; W172-E226 HydrophobicContact CG-CG 4.04Å; W172-E226 HydrophobicContact CZ2-CB 4.46Å; W172-L227 HydrophobicContact CH2-CD2 4.24Å; W172-L227 HydrophobicContact CH2-CG 4.43Å |
| 173 | F | 96.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.8 | -30.7 | -174.3 | -76.9 | -58.2 | 0 | 0 | 0 | 114.5 | A112 T113 N169 H175 L176 F181 F219 Y222 D223 | A112-F173 HydrophobicContact CB-CB 3.66Å; A112-F173 HydrophobicContact CB-CD2 3.47Å; A112-F173 VanDerWaalsContact CB-CD2 3.47Å; A112-F173 HydrophobicContact CB-CE2 4.35Å; A112-F173 HydrophobicContact CB-CG 3.88Å; T113-F173 HydrophobicContact CG2-CE2 4.29Å; N169-F173 HydrophobicContact CB-CD2 3.91Å; N169-F173 HydrophobicContact CB-CE2 4.14Å; N169-F173 WeakPolarHBondContact O-CD2 3.46Å; N169-F173 PolarHBondContact O-N 3.44Å; F173-H175 PolarHBondContact O-N 2.89Å; F173-L176 HydrophobicContact CD1-CD2 4.4Å; F173-F181 HydrophobicContact CE1-CD2 4.31Å; F173-F181 HydrophobicContact CE1-CE2 4.08Å; F173-F219 AromaticContact CD1-CD1 3.94Å; F173-F219 HydrophobicContact CD1-CD1 3.94Å; F173-F219 HydrophobicContact CD1-CE1 4.1Å; F173-F219 HydrophobicContact CE1-CB 4.47Å; F173-F219 AromaticContact CE1-CD1 3.41Å; F173-F219 HydrophobicContact CE1-CD1 3.41Å; F173-F219 VanDerWaalsContact CE1-CD1 3.41Å; F173-F219 AromaticContact CE1-CE1 3.89Å; F173-F219 HydrophobicContact CE1-CE1 3.89Å; F173-F219 HydrophobicContact CE1-CG 4.16Å; F173-F219 HydrophobicContact CE2-CB 4.49Å; F173-F219 HydrophobicContact CE2-CD1 4.16Å; F173-F219 HydrophobicContact CZ-CB 3.86Å; F173-F219 AromaticContact CZ-CD1 3.54Å; F173-F219 HydrophobicContact CZ-CD1 3.54Å; F173-F219 HydrophobicContact CZ-CE1 4.45Å; F173-F219 HydrophobicContact CZ-CG 4.04Å; F173-F219 WeakPolarHBondContact CZ-O 3.4Å; F173-Y222 HydrophobicContact CE1-CD1 4.09Å; F173-Y222 HydrophobicContact CE1-CG 4.5Å; F173-Y222 HydrophobicContact CZ-CD1 4.2Å; F173-D223 WeakPolarHBondContact CE2-OD1 3.3Å |
| 174 | D | 94.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 51 Ų | 51 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -4.5 | 177.4 | -72.2 | -4 | 0 | 0 | 0 | 112.4 | R115 V170 W172 | R115-D174 IonicContact CZ-OD1 3.13Å; R115-D174 IonicContact NH1-OD1 2.85Å; R115-D174 PolarHBondContact NH1-OD1 3.36Å; R115-D174 IonicContact NH2-OD1 3.12Å; R115-D174 IonicContact NH2-OD2 3.98Å; V170-D174 WeakPolarHBondContact O-CB 3.48Å; V170-D174 PolarHBondContact O-N 2.99Å; W172-D174 PolarHBondContact O-N 3.24Å |
| 175 | H | 92.8 | Very high | 95.5 | Very high | 155 Ų | 155 | 50.3 Ų | 50.3 | 72% | 0.718 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | -6 | -179.8 | -56.4 | -38 | 0 | 0 | 0 | 113.7 | E171 W172 F173 | E171-H175 PolarHBondContact O-CD2 3.29Å; W172-H175 CarbonylContact O-C 3.37Å; W172-H175 PolarHBondContact O-N 3.19Å; W172-H175 VanDerWaalsContact O-N 3.13Å; F173-H175 PolarHBondContact O-N 2.89Å |
| 176 | L | 93.4 | Very high | 95.2 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 20% | 0.204 | 30% | 0.295 | C | S | . | . | trans | -91.1 | 120.7 | -178.7 | -178.1 | 66.8 | 0 | 0 | 0 | 109.7 | W172 F173 E180 F181 Y222 | W172-L176 WeakPolarHBondContact O-CB 3.38Å; W172-L176 PolarHBondContact O-N 2.86Å; F173-L176 HydrophobicContact CD1-CD2 4.4Å; L176-E180 HydrophobicContact CD1-CB 3.64Å; L176-F181 HydrophobicContact CD2-CB 3.72Å; L176-F181 HydrophobicContact CD2-CD2 3.76Å; L176-F181 HydrophobicContact CD2-CG 4.21Å; L176-F181 HydrophobicContact CG-CB 4.09Å; L176-Y222 WeakPolarHBondContact CD1-OH 3.4Å; L176-Y222 HydrophobicContact CD2-CD1 4.33Å; L176-Y222 HydrophobicContact CD2-CE1 3.58Å; L176-Y222 HydrophobicContact CD2-CE2 4.12Å; L176-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L176-Y222 WeakPolarHBondContact CD2-OH 3.18Å | ||
| 177 | S | 95.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 59.9 Ų | 59.9 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | trans | -69 | 150.1 | 173.6 | 71.2 | 0 | 0 | 0 | 0 | 111 | A179 E180 F181 | S177-A179 PolarHBondContact O-N 3.01Å; S177-E180 VanDerWaalsContact CB-OE2 3.31Å; S177-E180 WeakPolarHBondContact CB-OE2 3.38Å; S177-E180 PolarHBondContact N-OE2 3.02Å; S177-E180 PolarHBondContact O-N 3.37Å; S177-E180 VanDerWaalsContact O-N 3.13Å; S177-E180 WeakPolarHBondContact OG-CB 3.45Å; S177-E180 WeakPolarHBondContact OG-CG 3.46Å; S177-E180 PolarHBondContact OG-N 3.33Å; S177-E180 VanDerWaalsContact OG-N 3.16Å; S177-E180 PolarHBondContact OG-OE2 3.33Å; S177-F181 PolarHBondContact O-N 3.07Å | ||
| 178 | I | 94.1 | Very high | 94.6 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 67% | 0.672 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -55.6 | -40.9 | 175.9 | -65.6 | 173.3 | 0 | 0 | 0 | 110.7 | F181 F182 | I178-F181 PolarHBondContact O-N 3Å; I178-F182 HydrophobicContact CG2-CD2 3.62Å; I178-F182 HydrophobicContact CG2-CE2 3.74Å; I178-F182 VanDerWaalsContact O-CD2 3.32Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 3.11Å |
| 179 | A | 95.4 | Very high | 94.4 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.1 | -43.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S177 A183 | S177-A179 PolarHBondContact O-N 3.01Å; A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.12Å |
| 180 | E | 94.5 | Very high | 94 | Very high | 107 Ų | 107 | 70.2 Ų | 70.2 | 50% | 0.5 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 175.9 | -72.7 | 162.6 | 144.2 | 0 | 0 | 112 | L176 S177 A183 V184 | L176-E180 HydrophobicContact CD1-CB 3.64Å; S177-E180 VanDerWaalsContact CB-OE2 3.31Å; S177-E180 WeakPolarHBondContact CB-OE2 3.38Å; S177-E180 PolarHBondContact N-OE2 3.02Å; S177-E180 PolarHBondContact O-N 3.37Å; S177-E180 VanDerWaalsContact O-N 3.13Å; S177-E180 WeakPolarHBondContact OG-CB 3.45Å; S177-E180 WeakPolarHBondContact OG-CG 3.46Å; S177-E180 PolarHBondContact OG-N 3.33Å; S177-E180 VanDerWaalsContact OG-N 3.16Å; S177-E180 PolarHBondContact OG-OE2 3.33Å; E180-A183 PolarHBondContact O-N 2.69Å; E180-V184 WeakPolarHBondContact O-CG2 3.3Å; E180-V184 PolarHBondContact O-N 2.89Å |
| 181 | F | 95.8 | Very high | 93.7 | Very high | 12 Ų | 12 | 74.4 Ų | 74.4 | 5% | 0.053 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.1 | -54.3 | 175.5 | 177.1 | -105.8 | 0 | 0 | 0 | 111 | F173 L176 S177 I178 A183 V184 V185 I218 F219 Y222 | F173-F181 HydrophobicContact CE1-CD2 4.31Å; F173-F181 HydrophobicContact CE1-CE2 4.08Å; L176-F181 HydrophobicContact CD2-CB 3.72Å; L176-F181 HydrophobicContact CD2-CD2 3.76Å; L176-F181 HydrophobicContact CD2-CG 4.21Å; L176-F181 HydrophobicContact CG-CB 4.09Å; S177-F181 PolarHBondContact O-N 3.07Å; I178-F181 PolarHBondContact O-N 3Å; F181-A183 VanDerWaalsContact C-N 3.32Å; F181-A183 PolarHBondContact O-N 3.19Å; F181-V184 PolarHBondContact O-N 3.38Å; F181-V184 VanDerWaalsContact O-N 3.09Å; F181-V185 HydrophobicContact CD1-CG2 3.97Å; F181-V185 HydrophobicContact CD2-CG1 4.45Å; F181-V185 HydrophobicContact CE1-CG2 3.65Å; F181-V185 HydrophobicContact CE2-CG1 4.08Å; F181-V185 HydrophobicContact CE2-CG2 4.29Å; F181-V185 HydrophobicContact CG-CG2 4.43Å; F181-V185 HydrophobicContact CZ-CG1 4.31Å; F181-V185 HydrophobicContact CZ-CG2 3.84Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.34Å; F181-I218 HydrophobicContact CE1-CG2 4.29Å; F181-I218 HydrophobicContact CZ-CG2 3.76Å; F181-F219 HydrophobicContact CE1-CD2 4.2Å; F181-F219 AromaticContact CE1-CE2 3.73Å; F181-F219 HydrophobicContact CE1-CE2 3.73Å; F181-F219 HydrophobicContact CE1-CZ 4.14Å; F181-F219 HydrophobicContact CE2-CD2 4.46Å; F181-F219 AromaticContact CZ-CD2 3.66Å; F181-F219 HydrophobicContact CZ-CD2 3.66Å; F181-F219 AromaticContact CZ-CE2 3.66Å; F181-F219 HydrophobicContact CZ-CE2 3.66Å; F181-F219 HydrophobicContact CZ-CG 4.16Å; F181-F219 HydrophobicContact CZ-CZ 4.15Å; F181-Y222 AromaticContact CD2-CD2 3.67Å; F181-Y222 HydrophobicContact CD2-CD2 3.67Å; F181-Y222 AromaticContact CD2-CE2 3.91Å; F181-Y222 HydrophobicContact CD2-CE2 3.91Å; F181-Y222 HydrophobicContact CD2-CG 4.01Å; F181-Y222 AromaticContact CE2-CD2 3.7Å; F181-Y222 HydrophobicContact CE2-CD2 3.7Å; F181-Y222 HydrophobicContact CE2-CE2 4.41Å; F181-Y222 AromaticContact CE2-CG 3.79Å; F181-Y222 HydrophobicContact CE2-CG 3.79Å |
| 182 | F | 94.8 | Very high | 93.5 | Very high | 98 Ų | 98 | 81.6 Ų | 81.6 | 43% | 0.43 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.5 | -28.7 | -179.8 | -82.5 | -71.1 | 0 | 0 | 0 | 113.6 | I178 V184 V185 G186 | I178-F182 HydrophobicContact CG2-CD2 3.62Å; I178-F182 HydrophobicContact CG2-CE2 3.74Å; I178-F182 VanDerWaalsContact O-CD2 3.32Å; I178-F182 WeakPolarHBondContact O-CD2 3.41Å; I178-F182 PolarHBondContact O-N 3.11Å; F182-V184 PolarHBondContact O-N 3.03Å; F182-V185 HydrophobicContact CD1-CG2 4.47Å; F182-G186 WeakPolarHBondContact O-CA 3.44Å; F182-G186 PolarHBondContact O-N 3.22Å |
| 183 | A | 94 | Very high | 93.1 | Very high | 68 Ų | 68 | 83.9 Ų | 83.9 | 56% | 0.562 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.1 | -32.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | A179 E180 F181 | A179-A183 VanDerWaalsContact O-CB 3.3Å; A179-A183 WeakPolarHBondContact O-CB 3.3Å; A179-A183 PolarHBondContact O-N 3.12Å; E180-A183 PolarHBondContact O-N 2.69Å; F181-A183 VanDerWaalsContact C-N 3.32Å; F181-A183 PolarHBondContact O-N 3.19Å |
| 184 | V | 93.8 | Very high | 92.8 | Very high | 41 Ų | 41 | 82.9 Ų | 82.9 | 25% | 0.248 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -82.7 | -54.2 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | E180 F181 F182 Q188 Y222 L225 | E180-V184 WeakPolarHBondContact O-CG2 3.3Å; E180-V184 PolarHBondContact O-N 2.89Å; F181-V184 PolarHBondContact O-N 3.38Å; F181-V184 VanDerWaalsContact O-N 3.09Å; F182-V184 PolarHBondContact O-N 3.03Å; V184-Q188 WeakPolarHBondContact O-CG 3.47Å; V184-Y222 HydrophobicContact CB-CE2 4.02Å; V184-Y222 HydrophobicContact CG1-CD2 4.37Å; V184-Y222 HydrophobicContact CG1-CE2 3.93Å; V184-Y222 HydrophobicContact CG2-CE2 4.32Å; V184-L225 HydrophobicContact CG1-CD2 3.53Å |
| 185 | V | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 82 Ų | 82 | 1% | 0.012 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -91.6 | -26.6 | -168.2 | -55 | 0 | 0 | 0 | 0 | 114.3 | F181 F182 R187 Q188 F189 I218 Y222 L252 | F181-V185 HydrophobicContact CD1-CG2 3.97Å; F181-V185 HydrophobicContact CD2-CG1 4.45Å; F181-V185 HydrophobicContact CE1-CG2 3.65Å; F181-V185 HydrophobicContact CE2-CG1 4.08Å; F181-V185 HydrophobicContact CE2-CG2 4.29Å; F181-V185 HydrophobicContact CG-CG2 4.43Å; F181-V185 HydrophobicContact CZ-CG1 4.31Å; F181-V185 HydrophobicContact CZ-CG2 3.84Å; F181-V185 WeakPolarHBondContact O-CG2 3.3Å; F181-V185 PolarHBondContact O-N 3.34Å; F182-V185 HydrophobicContact CD1-CG2 4.47Å; V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.22Å; V185-R187 VanDerWaalsContact O-N 3.14Å; V185-Q188 PolarHBondContact O-N 3.47Å; V185-F189 HydrophobicContact CB-CD2 4.12Å; V185-F189 HydrophobicContact CB-CE2 4.01Å; V185-F189 HydrophobicContact CG1-CE2 4.39Å; V185-F189 PolarHBondContact O-N 3.34Å; V185-I218 HydrophobicContact CB-CG2 3.88Å; V185-I218 HydrophobicContact CG1-CG2 4.17Å; V185-I218 HydrophobicContact CG2-CG2 3.7Å; V185-Y222 HydrophobicContact CG1-CD2 3.64Å; V185-Y222 HydrophobicContact CG1-CE2 4.38Å; V185-L252 HydrophobicContact CG1-CD1 4.23Å; V185-L252 HydrophobicContact CG1-CD2 4.19Å |
| 186 | G | 88.1 | Confident | 92.4 | Very high | 43 Ų | 43 | 79.7 Ų | 79.7 | 44% | 0.443 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -32.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F182 | F182-G186 WeakPolarHBondContact O-CA 3.44Å; F182-G186 PolarHBondContact O-N 3.22Å |
| 187 | R | 90 | Very high | 92.1 | Very high | 201 Ų | 201 | 78.7 Ų | 78.7 | 76% | 0.758 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -8.5 | 176.4 | -68.6 | -169.8 | -70.8 | -104.8 | -1 | 114.2 | V185 | V185-R187 VanDerWaalsContact C-N 3.29Å; V185-R187 PolarHBondContact O-N 3.22Å; V185-R187 VanDerWaalsContact O-N 3.14Å |
| 188 | Q | 93.4 | Very high | 91.5 | Very high | 48 Ų | 48 | 83 Ų | 83 | 22% | 0.224 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -28.9 | -172.7 | -49.4 | -54.6 | -14.2 | 0 | 0 | 112.6 | V184 V185 L252 K255 | V184-Q188 WeakPolarHBondContact O-CG 3.47Å; V185-Q188 PolarHBondContact O-N 3.47Å; Q188-L252 HydrophobicContact CB-CD1 3.83Å; Q188-L252 HydrophobicContact CG-CD1 3.84Å; Q188-K255 HydrophobicContact CB-CD 4.09Å; Q188-K255 WeakPolarHBondContact O-CD 3.33Å; Q188-K255 PolarHBondContact O-NZ 2.92Å; Q188-K255 VanDerWaalsContact OE1-CB 3.23Å |
| 189 | F | 93.2 | Very high | 90.9 | Very high | 21 Ų | 21 | 77.9 Ų | 77.9 | 9% | 0.092 | 39% | 0.386 | C | S | . | . | trans | -100.1 | 125.9 | 177.9 | -63.4 | -78 | 0 | 0 | 0 | 110.9 | V185 L194 I218 A221 L252 | V185-F189 HydrophobicContact CB-CD2 4.12Å; V185-F189 HydrophobicContact CB-CE2 4.01Å; V185-F189 HydrophobicContact CG1-CE2 4.39Å; V185-F189 PolarHBondContact O-N 3.34Å; F189-L194 HydrophobicContact CB-CD1 3.94Å; F189-L194 HydrophobicContact CB-CD2 4.22Å; F189-L194 HydrophobicContact CB-CG 4.23Å; F189-L194 HydrophobicContact CD1-CD2 3.82Å; F189-L194 HydrophobicContact CG-CD2 4.27Å; F189-I218 HydrophobicContact CD2-CG1 4.27Å; F189-I218 HydrophobicContact CD2-CG2 3.94Å; F189-I218 HydrophobicContact CE2-CB 4.45Å; F189-I218 HydrophobicContact CE2-CG1 4.46Å; F189-I218 HydrophobicContact CE2-CG2 3.76Å; F189-I218 HydrophobicContact CG-CG1 4.43Å; F189-A221 HydrophobicContact CZ-CB 3.73Å; F189-L252 HydrophobicContact CE2-CB 4.45Å; F189-L252 HydrophobicContact CE2-CD1 3.95Å; F189-L252 HydrophobicContact CE2-CD2 4.44Å; F189-L252 HydrophobicContact CZ-CB 3.95Å; F189-L252 HydrophobicContact CZ-CD1 4.31Å; F189-L252 HydrophobicContact CZ-CD2 4.47Å; F189-L252 HydrophobicContact CZ-CG 4.47Å | ||
| 190 | R | 91.5 | Very high | 90.5 | Very high | 188 Ų | 188 | 74.3 Ų | 74.3 | 71% | 0.709 | 36% | 0.357 | S | S | * | . | trans | -89.3 | 128.7 | 170.4 | -62.7 | -60.5 | -173.5 | 177.7 | 0.5 | 108.2 | R192 H193 L194 | R190-R192 VanDerWaalsContact C-N 3.27Å; R190-R192 PolarHBondContact O-N 3.13Å; R190-H193 WeakPolarHBondContact O-CB 3.32Å; R190-H193 PolarHBondContact O-N 3.04Å; R190-H193 VanDerWaalsContact O-N 3.08Å; R190-L194 PolarHBondContact O-N 2.96Å | ||
| 191 | L | 90.7 | Very high | 90.1 | Very high | 111 Ų | 111 | 71.4 Ų | 71.4 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -53.4 | -43.3 | -176.2 | -179.3 | 59.9 | 0 | 0 | 0 | 112.8 | H193 L194 L195 F214 | L191-H193 VanDerWaalsContact C-N 3.35Å; L191-H193 PolarHBondContact O-N 3.33Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.47Å; L191-L194 VanDerWaalsContact O-N 3.12Å; L191-L195 HydrophobicContact CD1-CD1 4.32Å; L191-L195 HydrophobicContact CD1-CG 4.26Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 HydrophobicContact CG-CG 4.4Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 2.89Å; L191-F214 HydrophobicContact CD1-CE1 4.38Å; L191-F214 HydrophobicContact CD1-CZ 3.85Å |
| 192 | R | 90.5 | Very high | 89.5 | Confident | 194 Ų | 194 | 74.9 Ų | 74.9 | 73% | 0.732 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.4 | -48.2 | 177.6 | -178.3 | 172.7 | -68.8 | -85.8 | 1.2 | 112.4 | R190 L194 L195 D196 | R190-R192 VanDerWaalsContact C-N 3.27Å; R190-R192 PolarHBondContact O-N 3.13Å; R192-L194 VanDerWaalsContact C-N 3.29Å; R192-L194 PolarHBondContact O-N 2.92Å; R192-L195 PolarHBondContact O-N 3.38Å; R192-L195 VanDerWaalsContact O-N 3.13Å; R192-D196 WeakPolarHBondContact CG-OD2 3.43Å; R192-D196 PolarHBondContact O-N 2.87Å |
| 193 | H | 88.5 | Confident | 89 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 179.1 | -177.8 | 66.6 | 0 | 0 | 0 | 113.3 | R190 L191 K197 H247 D251 | R190-H193 WeakPolarHBondContact O-CB 3.32Å; R190-H193 PolarHBondContact O-N 3.04Å; R190-H193 VanDerWaalsContact O-N 3.08Å; L191-H193 VanDerWaalsContact C-N 3.35Å; L191-H193 PolarHBondContact O-N 3.33Å; H193-K197 PolarHBondContact CE1-NZ 2.94Å; H193-K197 PolarHBondContact NE2-NZ 3.37Å; H193-H247 AromaticContact CE1-CE1 3.29Å; H193-H247 PolarHBondContact CE1-CE1 3.49Å; H193-H247 AromaticContact CE1-ND1 3.96Å; H193-H247 AromaticContact CE1-NE2 3.75Å; H193-H247 AromaticContact NE2-CE1 3.12Å; H193-H247 PolarHBondContact NE2-CE1 2.93Å; H193-H247 AromaticContact NE2-ND1 3.46Å; H193-H247 PolarHBondContact NE2-ND1 2.84Å; H193-H247 AromaticContact NE2-NE2 3.99Å; H193-D251 IonicContact CD2-OD2 3.43Å; H193-D251 IonicContact CE1-OD2 3.45Å; H193-D251 IonicContact NE2-OD2 3.03Å; H193-D251 PolarHBondContact NE2-OD2 2.87Å |
| 194 | L | 90.6 | Very high | 88.6 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 175.2 | -62.7 | 175.8 | 0 | 0 | 0 | 111.7 | F189 R190 L191 R192 F214 Q217 I218 | F189-L194 HydrophobicContact CB-CD1 3.94Å; F189-L194 HydrophobicContact CB-CD2 4.22Å; F189-L194 HydrophobicContact CB-CG 4.23Å; F189-L194 HydrophobicContact CD1-CD2 3.82Å; F189-L194 HydrophobicContact CG-CD2 4.27Å; R190-L194 PolarHBondContact O-N 2.96Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.47Å; L191-L194 VanDerWaalsContact O-N 3.12Å; R192-L194 VanDerWaalsContact C-N 3.29Å; R192-L194 PolarHBondContact O-N 2.92Å; L194-F214 HydrophobicContact CB-CE2 3.85Å; L194-F214 HydrophobicContact CB-CZ 3.68Å; L194-F214 HydrophobicContact CD1-CE1 4.27Å; L194-F214 HydrophobicContact CD1-CZ 3.79Å; L194-F214 HydrophobicContact CG-CZ 4.4Å; L194-Q217 HydrophobicContact CD2-CG 4.16Å; L194-I218 HydrophobicContact CD1-CD1 3.87Å; L194-I218 HydrophobicContact CD1-CG1 4.43Å; L194-I218 HydrophobicContact CD2-CG1 4.42Å |
| 195 | L | 90.3 | Very high | 87.9 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.9 | -32.6 | 177.8 | -66.5 | 171.5 | 0 | 0 | 0 | 112.4 | L191 R192 K197 V200 L204 F214 | L191-L195 HydrophobicContact CD1-CD1 4.32Å; L191-L195 HydrophobicContact CD1-CG 4.26Å; L191-L195 HydrophobicContact CG-CD1 4Å; L191-L195 HydrophobicContact CG-CG 4.4Å; L191-L195 WeakPolarHBondContact O-CG 3.29Å; L191-L195 PolarHBondContact O-N 2.89Å; R192-L195 PolarHBondContact O-N 3.38Å; R192-L195 VanDerWaalsContact O-N 3.13Å; L195-K197 PolarHBondContact O-N 3.46Å; L195-V200 HydrophobicContact CD2-CG1 4.34Å; L195-L204 HydrophobicContact CD2-CD1 3.71Å; L195-F214 HydrophobicContact CD2-CE2 4.16Å |
| 196 | D | 88.6 | Confident | 87.2 | Confident | 107 Ų | 107 | 82.5 Ų | 82.5 | 57% | 0.572 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11 | 179.7 | -65.1 | -23.4 | 0 | 0 | 0 | 113 | R192 Q198 | R192-D196 WeakPolarHBondContact CG-OD2 3.43Å; R192-D196 PolarHBondContact O-N 2.87Å; D196-Q198 PolarHBondContact O-N 3.11Å |
| 197 | K | 86.7 | Confident | 86.7 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -60.8 | 131.9 | 174.5 | -63.4 | -57.9 | -176.3 | -171.9 | 0 | 110 | H193 L195 C199 V200 S201 H247 | H193-K197 PolarHBondContact CE1-NZ 2.94Å; H193-K197 PolarHBondContact NE2-NZ 3.37Å; L195-K197 PolarHBondContact O-N 3.46Å; K197-C199 VanDerWaalsContact C-N 3.33Å; K197-C199 PolarHBondContact O-N 3.02Å; K197-V200 HydrophobicContact CB-CB 4.4Å; K197-V200 HydrophobicContact CB-CG2 4.17Å; K197-V200 WeakPolarHBondContact O-CA 3.27Å; K197-V200 WeakPolarHBondContact O-CB 3.4Å; K197-V200 PolarHBondContact O-N 3.27Å; K197-S201 PolarHBondContact O-N 3.28Å; K197-H247 PolarHBondContact NZ-ND1 3Å |
| 198 | Q | 83.8 | Confident | 86.5 | Confident | 141 Ų | 141 | 75.9 Ų | 75.9 | 66% | 0.659 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -52.4 | -46.5 | -175.3 | -175.5 | 178.6 | 0.4 | 0 | 0 | 113.1 | D196 V200 S201 E202 | D196-Q198 PolarHBondContact O-N 3.11Å; Q198-V200 PolarHBondContact O-N 2.9Å; Q198-S201 PolarHBondContact O-N 3.34Å; Q198-E202 HydrophobicContact CG-CG 4.24Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.44Å; Q198-E202 PolarHBondContact NE2-OE1 2.79Å; Q198-E202 WeakPolarHBondContact O-CB 3.25Å; Q198-E202 VanDerWaalsContact O-CG 3.3Å; Q198-E202 WeakPolarHBondContact O-CG 3.01Å; Q198-E202 PolarHBondContact O-N 3.35Å |
| 199 | C | 81 | Confident | 86.2 | Confident | 23 Ų | 23 | 75.1 Ų | 75.1 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.4 | -29.9 | 178.8 | 60.2 | 0 | 0 | 0 | 0 | 113.5 | K197 R203 | K197-C199 VanDerWaalsContact C-N 3.33Å; K197-C199 PolarHBondContact O-N 3.02Å; C199-R203 WeakPolarHBondContact O-CG 3.29Å |
| 200 | V | 86.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -80.5 | -52.2 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 110 | L195 K197 Q198 E202 R203 L204 M209 F214 | L195-V200 HydrophobicContact CD2-CG1 4.34Å; K197-V200 HydrophobicContact CB-CB 4.4Å; K197-V200 HydrophobicContact CB-CG2 4.17Å; K197-V200 WeakPolarHBondContact O-CA 3.27Å; K197-V200 WeakPolarHBondContact O-CB 3.4Å; K197-V200 PolarHBondContact O-N 3.27Å; Q198-V200 PolarHBondContact O-N 2.9Å; V200-E202 VanDerWaalsContact C-N 3.32Å; V200-E202 PolarHBondContact O-N 3.03Å; V200-R203 PolarHBondContact O-N 3.5Å; V200-R203 VanDerWaalsContact O-N 3.14Å; V200-L204 HydrophobicContact CG1-CD1 3.72Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 2.96Å; V200-M209 HydrophobicContact CB-CE 4.42Å; V200-M209 HydrophobicContact CB-SD 4.38Å; V200-M209 HydrophobicContact CG1-SD 4.08Å; V200-M209 HydrophobicContact CG2-CE 4.16Å; V200-M209 HydrophobicContact CG2-SD 4.05Å; V200-F214 HydrophobicContact CG1-CD2 3.98Å; V200-F214 HydrophobicContact CG1-CE2 4.15Å; V200-F214 HydrophobicContact CG2-CD2 4.29Å |
| 201 | S | 85.6 | Confident | 86.1 | Confident | 47 Ų | 47 | 75.3 Ų | 75.3 | 33% | 0.329 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | -179.5 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | K197 Q198 R203 N205 | K197-S201 PolarHBondContact O-N 3.28Å; Q198-S201 PolarHBondContact O-N 3.34Å; S201-R203 PolarHBondContact O-N 3.34Å; S201-N205 PolarHBondContact O-N 2.9Å; S201-N205 VanDerWaalsContact O-N 3.15Å; S201-N205 PolarHBondContact O-ND2 3.04Å |
| 202 | E | 84.4 | Confident | 86.2 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.4 | -34.3 | 178 | -73.8 | -179.6 | -170.4 | 0 | 0 | 113.7 | Q198 V200 K206 | Q198-E202 HydrophobicContact CG-CG 4.24Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.44Å; Q198-E202 PolarHBondContact NE2-OE1 2.79Å; Q198-E202 WeakPolarHBondContact O-CB 3.25Å; Q198-E202 VanDerWaalsContact O-CG 3.3Å; Q198-E202 WeakPolarHBondContact O-CG 3.01Å; Q198-E202 PolarHBondContact O-N 3.35Å; V200-E202 VanDerWaalsContact C-N 3.32Å; V200-E202 PolarHBondContact O-N 3.03Å; E202-K206 WeakPolarHBondContact O-CD 3.4Å; E202-K206 WeakPolarHBondContact O-CG 3.47Å |
| 203 | R | 84.2 | Confident | 86.2 | Confident | 11 Ų | 11 | 63.3 Ų | 63.3 | 4% | 0.042 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -78.1 | -41.2 | 178.8 | -68.7 | -87.1 | -74.4 | 135.1 | 6.4 | 111.3 | T123 K124 C199 V200 S201 N205 K206 A207 G208 M209 E213 | T123-R203 PolarHBondContact O-NH1 3.27Å; T123-R203 VanDerWaalsContact O-NH1 3.13Å; K124-R203 VanDerWaalsContact CA-NH1 3.27Å; C199-R203 WeakPolarHBondContact O-CG 3.29Å; V200-R203 PolarHBondContact O-N 3.5Å; V200-R203 VanDerWaalsContact O-N 3.14Å; S201-R203 PolarHBondContact O-N 3.34Å; R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.42Å; R203-K206 CarbonylContact O-C 3.52Å; R203-K206 PolarHBondContact O-N 2.94Å; R203-A207 PolarHBondContact O-N 3.09Å; R203-G208 VanDerWaalsContact CZ-O 3.28Å; R203-G208 PolarHBondContact NH1-O 3.27Å; R203-G208 PolarHBondContact NH2-O 3.34Å; R203-G208 WeakPolarHBondContact O-CA 3.26Å; R203-G208 PolarHBondContact O-N 3.19Å; R203-M209 HydrophobicContact CB-CB 4.18Å; R203-M209 HydrophobicContact CB-CE 3.8Å; R203-M209 HydrophobicContact CG-CE 3.8Å; R203-E213 IonicContact CZ-OE1 2.96Å; R203-E213 IonicContact CZ-OE2 3.68Å; R203-E213 IonicContact NE-OE1 2.84Å; R203-E213 PolarHBondContact NE-OE1 2.9Å; R203-E213 IonicContact NE-OE2 3.1Å; R203-E213 VanDerWaalsContact NH2-CD 3.31Å; R203-E213 IonicContact NH2-OE1 3.4Å; R203-E213 PolarHBondContact NH2-OE1 3.48Å; R203-E213 VanDerWaalsContact NH2-OE1 3.1Å; R203-E213 IonicContact NH2-OE2 3.59Å; R203-E213 PolarHBondContact NH2-OE2 2.94Å |
| 204 | L | 84.2 | Confident | 86.4 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 45% | 0.45 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 176.8 | -72.7 | 177.8 | 0 | 0 | 0 | 112.3 | L195 V200 K206 M209 | L195-L204 HydrophobicContact CD2-CD1 3.71Å; V200-L204 HydrophobicContact CG1-CD1 3.72Å; V200-L204 HydrophobicContact CG1-CG 4.13Å; V200-L204 WeakPolarHBondContact O-CG 3.48Å; V200-L204 PolarHBondContact O-N 2.96Å; L204-K206 PolarHBondContact O-N 3.09Å; L204-M209 HydrophobicContact CD2-CB 4.42Å |
| 205 | N | 79.4 | Confident | 86.5 | Confident | 131 Ų | 131 | 61.8 Ų | 61.8 | 70% | 0.701 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.3 | 176.4 | -69.2 | -39.2 | 0 | 0 | 0 | 114.1 | S201 R203 | S201-N205 PolarHBondContact O-N 2.9Å; S201-N205 VanDerWaalsContact O-N 3.15Å; S201-N205 PolarHBondContact O-ND2 3.04Å; R203-N205 VanDerWaalsContact C-N 3.28Å; R203-N205 PolarHBondContact O-N 3.42Å |
| 206 | K | 81.1 | Confident | 86.8 | Confident | 142 Ų | 142 | 59.1 Ų | 59.1 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -108.1 | -175.7 | -67.5 | 177.1 | -176.1 | 167.5 | 0 | 111.7 | E202 R203 L204 G208 | E202-K206 WeakPolarHBondContact O-CD 3.4Å; E202-K206 WeakPolarHBondContact O-CG 3.47Å; R203-K206 CarbonylContact O-C 3.52Å; R203-K206 PolarHBondContact O-N 2.94Å; L204-K206 PolarHBondContact O-N 3.09Å; K206-G208 VanDerWaalsContact C-N 3.27Å; K206-G208 PolarHBondContact O-N 3.5Å |
| 207 | A | 77.2 | Confident | 87 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -4.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R203 | R203-A207 PolarHBondContact O-N 3.09Š|
| 208 | G | 84.2 | Confident | 87.5 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | trans | 82 | 173.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R203 K206 | R203-G208 VanDerWaalsContact CZ-O 3.28Å; R203-G208 PolarHBondContact NH1-O 3.27Å; R203-G208 PolarHBondContact NH2-O 3.34Å; R203-G208 WeakPolarHBondContact O-CA 3.26Å; R203-G208 PolarHBondContact O-N 3.19Å; K206-G208 VanDerWaalsContact C-N 3.27Å; K206-G208 PolarHBondContact O-N 3.5Å | ||
| 209 | M | 88.9 | Confident | 88.2 | Confident | 32 Ų | 32 | 50 Ų | 50 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | trans | -138.5 | 132.3 | 179.3 | 173.4 | 175.1 | -76.4 | 0 | 0 | 107.8 | P119 V200 R203 L204 E213 F214 | P119-M209 HydrophobicContact CB-CE 3.67Å; P119-M209 HydrophobicContact CG-CE 4.09Å; V200-M209 HydrophobicContact CB-CE 4.42Å; V200-M209 HydrophobicContact CB-SD 4.38Å; V200-M209 HydrophobicContact CG1-SD 4.08Å; V200-M209 HydrophobicContact CG2-CE 4.16Å; V200-M209 HydrophobicContact CG2-SD 4.05Å; R203-M209 HydrophobicContact CB-CB 4.18Å; R203-M209 HydrophobicContact CB-CE 3.8Å; R203-M209 HydrophobicContact CG-CE 3.8Å; L204-M209 HydrophobicContact CD2-CB 4.42Å; M209-E213 HydrophobicContact CE-CG 4.19Å; M209-E213 HydrophobicContact CG-CB 4.11Å; M209-E213 HydrophobicContact CG-CG 4.13Å; M209-E213 WeakPolarHBondContact CG-OE2 3.41Å; M209-F214 HydrophobicContact CG-CB 4.11Å; M209-F214 VanDerWaalsContact SD-CA 3.56Å; M209-F214 HydrophobicContact SD-CB 3.73Å; M209-F214 HydrophobicContact SD-CD2 4.17Å; M209-F214 HydrophobicContact SD-CG 4.48Å | ||
| 210 | N | 90.4 | Very high | 88.9 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -78.4 | 158.8 | 175.8 | 75.9 | 63 | 0 | 0 | 0 | 110.1 | D125 S212 E213 F214 | D125-N210 PolarHBondContact OD2-ND2 3.06Å; N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.16Å; N210-S212 WeakPolarHBondContact OD1-CA 3.48Å; N210-S212 WeakPolarHBondContact OD1-CB 3.13Å; N210-S212 PolarHBondContact OD1-N 2.89Å; N210-E213 PolarHBondContact O-N 2.86Å; N210-E213 PolarHBondContact OD1-N 3.32Å; N210-F214 PolarHBondContact O-N 3.32Å | ||
| 211 | Y | 91.8 | Very high | 89.5 | Confident | 157 Ų | 157 | 49.4 Ų | 49.4 | 62% | 0.616 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -65.5 | -27.8 | -175.4 | -175.8 | -110.6 | 0 | 0 | 0 | 113.8 | F214 S215 | Y211-F214 AromaticContact CD2-CD1 3.97Å; Y211-F214 HydrophobicContact CD2-CD1 3.97Å; Y211-F214 AromaticContact CE2-CD1 3.94Å; Y211-F214 HydrophobicContact CE2-CD1 3.94Å; Y211-F214 HydrophobicContact CE2-CE1 4.33Å; Y211-S215 WeakPolarHBondContact O-CB 3.42Å; Y211-S215 PolarHBondContact O-N 3.18Å; Y211-S215 PolarHBondContact O-OG 3.26Å |
| 212 | S | 91.5 | Very high | 90.1 | Very high | 49 Ų | 49 | 47.7 Ų | 47.7 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.1 | -50.7 | 177.5 | -166.8 | 0 | 0 | 0 | 0 | 110.8 | L116 N210 F214 S215 Y216 | L116-S212 VanDerWaalsContact CA-OG 3.27Å; L116-S212 WeakPolarHBondContact CA-OG 3.46Å; L116-S212 PolarHBondContact O-OG 2.92Å; N210-S212 VanDerWaalsContact C-N 3.26Å; N210-S212 PolarHBondContact O-N 3.16Å; N210-S212 WeakPolarHBondContact OD1-CA 3.48Å; N210-S212 WeakPolarHBondContact OD1-CB 3.13Å; N210-S212 PolarHBondContact OD1-N 2.89Å; S212-F214 VanDerWaalsContact C-N 3.35Å; S212-F214 PolarHBondContact O-N 3.02Å; S212-S215 PolarHBondContact O-N 3.08Å; S212-S215 VanDerWaalsContact O-N 3.11Å; S212-Y216 PolarHBondContact O-N 3.41Å |
| 213 | E | 90.9 | Very high | 90.8 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 175.1 | -175.1 | -173.1 | -169.8 | 0 | 0 | 111.1 | P119 R203 M209 N210 S215 Y216 | P119-E213 HydrophobicContact CB-CG 3.63Å; P119-E213 VanDerWaalsContact CB-OE1 3.29Å; P119-E213 WeakPolarHBondContact CB-OE1 3.18Å; P119-E213 HydrophobicContact CG-CG 3.93Å; R203-E213 IonicContact CZ-OE1 2.96Å; R203-E213 IonicContact CZ-OE2 3.68Å; R203-E213 IonicContact NE-OE1 2.84Å; R203-E213 PolarHBondContact NE-OE1 2.9Å; R203-E213 IonicContact NE-OE2 3.1Å; R203-E213 VanDerWaalsContact NH2-CD 3.31Å; R203-E213 IonicContact NH2-OE1 3.4Å; R203-E213 PolarHBondContact NH2-OE1 3.48Å; R203-E213 VanDerWaalsContact NH2-OE1 3.1Å; R203-E213 IonicContact NH2-OE2 3.59Å; R203-E213 PolarHBondContact NH2-OE2 2.94Å; M209-E213 HydrophobicContact CE-CG 4.19Å; M209-E213 HydrophobicContact CG-CB 4.11Å; M209-E213 HydrophobicContact CG-CG 4.13Å; M209-E213 WeakPolarHBondContact CG-OE2 3.41Å; N210-E213 PolarHBondContact O-N 2.86Å; N210-E213 PolarHBondContact OD1-N 3.32Å; E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 3.34Å; E213-Y216 VanDerWaalsContact O-CB 3.25Å; E213-Y216 WeakPolarHBondContact O-CB 3.4Å; E213-Y216 PolarHBondContact O-N 2.84Å |
| 214 | F | 92.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 43.2 Ų | 43.2 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -38.2 | 174.3 | 173.3 | -103.6 | 0 | 0 | 0 | 112.7 | L191 L194 L195 V200 M209 N210 Y211 S212 Y216 | L191-F214 HydrophobicContact CD1-CE1 4.38Å; L191-F214 HydrophobicContact CD1-CZ 3.85Å; L194-F214 HydrophobicContact CB-CE2 3.85Å; L194-F214 HydrophobicContact CB-CZ 3.68Å; L194-F214 HydrophobicContact CD1-CE1 4.27Å; L194-F214 HydrophobicContact CD1-CZ 3.79Å; L194-F214 HydrophobicContact CG-CZ 4.4Å; L195-F214 HydrophobicContact CD2-CE2 4.16Å; V200-F214 HydrophobicContact CG1-CD2 3.98Å; V200-F214 HydrophobicContact CG1-CE2 4.15Å; V200-F214 HydrophobicContact CG2-CD2 4.29Å; M209-F214 HydrophobicContact CG-CB 4.11Å; M209-F214 VanDerWaalsContact SD-CA 3.56Å; M209-F214 HydrophobicContact SD-CB 3.73Å; M209-F214 HydrophobicContact SD-CD2 4.17Å; M209-F214 HydrophobicContact SD-CG 4.48Å; N210-F214 PolarHBondContact O-N 3.32Å; Y211-F214 AromaticContact CD2-CD1 3.97Å; Y211-F214 HydrophobicContact CD2-CD1 3.97Å; Y211-F214 AromaticContact CE2-CD1 3.94Å; Y211-F214 HydrophobicContact CE2-CD1 3.94Å; Y211-F214 HydrophobicContact CE2-CE1 4.33Å; S212-F214 VanDerWaalsContact C-N 3.35Å; S212-F214 PolarHBondContact O-N 3.02Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.05Å |
| 215 | S | 94.1 | Very high | 92.1 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.2 | -15.7 | -178 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | Y211 S212 E213 Q217 I218 F219 | Y211-S215 WeakPolarHBondContact O-CB 3.42Å; Y211-S215 PolarHBondContact O-N 3.18Å; Y211-S215 PolarHBondContact O-OG 3.26Å; S212-S215 PolarHBondContact O-N 3.08Å; S212-S215 VanDerWaalsContact O-N 3.11Å; E213-S215 VanDerWaalsContact C-N 3.27Å; E213-S215 PolarHBondContact O-N 3.34Å; S215-Q217 VanDerWaalsContact C-N 3.31Å; S215-Q217 PolarHBondContact O-N 2.97Å; S215-I218 WeakPolarHBondContact O-CB 3.49Å; S215-I218 PolarHBondContact O-N 3.49Å; S215-F219 WeakPolarHBondContact O-CD2 3.41Å; S215-F219 PolarHBondContact O-N 3.31Å |
| 216 | Y | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -49.3 | -48.1 | -176.7 | 175.7 | -91.6 | 0 | 0 | 0 | 113.2 | T113 L116 D118 S212 E213 F214 I218 F219 Q220 N245 | T113-Y216 HydrophobicContact CG2-CE2 4.39Å; L116-Y216 HydrophobicContact CB-CD2 4.4Å; D118-Y216 HydrophobicContact CB-CD1 4.13Å; D118-Y216 HydrophobicContact CB-CD2 4.02Å; D118-Y216 HydrophobicContact CB-CE1 3.69Å; D118-Y216 HydrophobicContact CB-CE2 3.55Å; D118-Y216 HydrophobicContact CB-CG 4.28Å; D118-Y216 VanDerWaalsContact OD1-CE1 3.3Å; D118-Y216 WeakPolarHBondContact OD1-CE1 3.5Å; D118-Y216 WeakPolarHBondContact OD2-CE1 3.44Å; D118-Y216 PolarHBondContact OD2-OH 3.23Å; S212-Y216 PolarHBondContact O-N 3.41Å; E213-Y216 VanDerWaalsContact O-CB 3.25Å; E213-Y216 WeakPolarHBondContact O-CB 3.4Å; E213-Y216 PolarHBondContact O-N 2.84Å; F214-Y216 VanDerWaalsContact C-N 3.3Å; F214-Y216 PolarHBondContact O-N 3.05Å; Y216-I218 PolarHBondContact O-N 3.37Å; Y216-F219 PolarHBondContact O-N 2.97Å; Y216-F219 VanDerWaalsContact O-N 3.12Å; Y216-Q220 HydrophobicContact CE1-CB 4.17Å; Y216-Q220 HydrophobicContact CE1-CG 4.41Å; Y216-Q220 WeakPolarHBondContact O-CB 3.43Å; Y216-Q220 PolarHBondContact O-N 3.13Å; Y216-N245 WeakPolarHBondContact CE1-ND2 3.18Å |
| 217 | Q | 94.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.1 | -29.9 | -178.4 | 65.9 | -178.9 | -55.1 | 0 | 0 | 113.3 | L194 S215 A221 N245 S248 | L194-Q217 HydrophobicContact CD2-CG 4.16Å; S215-Q217 VanDerWaalsContact C-N 3.31Å; S215-Q217 PolarHBondContact O-N 2.97Å; Q217-A221 VanDerWaalsContact O-CB 3.25Å; Q217-A221 WeakPolarHBondContact O-CB 3.41Å; Q217-A221 PolarHBondContact O-N 2.89Å; Q217-N245 WeakPolarHBondContact CB-OD1 3.46Å; Q217-S248 PolarHBondContact OE1-OG 3.32Å; Q217-S248 VanDerWaalsContact OE1-OG 3.07Å |
| 218 | I | 96.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 25 Ų | 25 | 10% | 0.097 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76 | -41 | 178.4 | -56.5 | 178.3 | 0 | 0 | 0 | 109.5 | F181 V185 F189 L194 S215 Y216 A221 Y222 | F181-I218 HydrophobicContact CE1-CG2 4.29Å; F181-I218 HydrophobicContact CZ-CG2 3.76Å; V185-I218 HydrophobicContact CB-CG2 3.88Å; V185-I218 HydrophobicContact CG1-CG2 4.17Å; V185-I218 HydrophobicContact CG2-CG2 3.7Å; F189-I218 HydrophobicContact CD2-CG1 4.27Å; F189-I218 HydrophobicContact CD2-CG2 3.94Å; F189-I218 HydrophobicContact CE2-CB 4.45Å; F189-I218 HydrophobicContact CE2-CG1 4.46Å; F189-I218 HydrophobicContact CE2-CG2 3.76Å; F189-I218 HydrophobicContact CG-CG1 4.43Å; L194-I218 HydrophobicContact CD1-CD1 3.87Å; L194-I218 HydrophobicContact CD1-CG1 4.43Å; L194-I218 HydrophobicContact CD2-CG1 4.42Å; S215-I218 WeakPolarHBondContact O-CB 3.49Å; S215-I218 PolarHBondContact O-N 3.49Å; Y216-I218 PolarHBondContact O-N 3.37Å; I218-A221 PolarHBondContact O-N 3.23Å; I218-Y222 PolarHBondContact O-N 2.81Å |
| 219 | F | 97.5 | Very high | 95.2 | Very high | 50 Ų | 50 | 28.1 Ų | 28.1 | 22% | 0.219 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -44.9 | 175.7 | -80.8 | -116.1 | 0 | 0 | 0 | 110.9 | T113 L116 F173 F181 S215 Y216 A221 Y222 D223 | T113-F219 HydrophobicContact CG2-CB 3.85Å; L116-F219 HydrophobicContact CD1-CD1 4.24Å; L116-F219 HydrophobicContact CD1-CE1 4.38Å; L116-F219 HydrophobicContact CD2-CB 3.99Å; L116-F219 HydrophobicContact CD2-CD1 3.87Å; L116-F219 HydrophobicContact CD2-CD2 3.52Å; L116-F219 HydrophobicContact CD2-CE1 4.22Å; L116-F219 HydrophobicContact CD2-CE2 3.9Å; L116-F219 HydrophobicContact CD2-CG 3.51Å; L116-F219 HydrophobicContact CD2-CZ 4.23Å; F173-F219 AromaticContact CD1-CD1 3.94Å; F173-F219 HydrophobicContact CD1-CD1 3.94Å; F173-F219 HydrophobicContact CD1-CE1 4.1Å; F173-F219 HydrophobicContact CE1-CB 4.47Å; F173-F219 AromaticContact CE1-CD1 3.41Å; F173-F219 HydrophobicContact CE1-CD1 3.41Å; F173-F219 VanDerWaalsContact CE1-CD1 3.41Å; F173-F219 AromaticContact CE1-CE1 3.89Å; F173-F219 HydrophobicContact CE1-CE1 3.89Å; F173-F219 HydrophobicContact CE1-CG 4.16Å; F173-F219 HydrophobicContact CE2-CB 4.49Å; F173-F219 HydrophobicContact CE2-CD1 4.16Å; F173-F219 HydrophobicContact CZ-CB 3.86Å; F173-F219 AromaticContact CZ-CD1 3.54Å; F173-F219 HydrophobicContact CZ-CD1 3.54Å; F173-F219 HydrophobicContact CZ-CE1 4.45Å; F173-F219 HydrophobicContact CZ-CG 4.04Å; F173-F219 WeakPolarHBondContact CZ-O 3.4Å; F181-F219 HydrophobicContact CE1-CD2 4.2Å; F181-F219 AromaticContact CE1-CE2 3.73Å; F181-F219 HydrophobicContact CE1-CE2 3.73Å; F181-F219 HydrophobicContact CE1-CZ 4.14Å; F181-F219 HydrophobicContact CE2-CD2 4.46Å; F181-F219 AromaticContact CZ-CD2 3.66Å; F181-F219 HydrophobicContact CZ-CD2 3.66Å; F181-F219 AromaticContact CZ-CE2 3.66Å; F181-F219 HydrophobicContact CZ-CE2 3.66Å; F181-F219 HydrophobicContact CZ-CG 4.16Å; F181-F219 HydrophobicContact CZ-CZ 4.15Å; S215-F219 WeakPolarHBondContact O-CD2 3.41Å; S215-F219 PolarHBondContact O-N 3.31Å; Y216-F219 PolarHBondContact O-N 2.97Å; Y216-F219 VanDerWaalsContact O-N 3.12Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.96Å; F219-Y222 WeakPolarHBondContact O-CA 3.46Å; F219-Y222 WeakPolarHBondContact O-CB 3.11Å; F219-Y222 PolarHBondContact O-N 3.45Å; F219-Y222 VanDerWaalsContact O-N 3.07Å; F219-D223 PolarHBondContact O-N 2.97Å |
| 220 | Q | 97.5 | Very high | 95.4 | Very high | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66 | -34 | 176.8 | -170.7 | -97 | 18.6 | 0 | 0 | 112.2 | Y216 Y222 D223 W224 N245 | Y216-Q220 HydrophobicContact CE1-CB 4.17Å; Y216-Q220 HydrophobicContact CE1-CG 4.41Å; Y216-Q220 WeakPolarHBondContact O-CB 3.43Å; Y216-Q220 PolarHBondContact O-N 3.13Å; Q220-Y222 VanDerWaalsContact C-N 3.34Å; Q220-D223 WeakPolarHBondContact O-CB 3.42Å; Q220-D223 PolarHBondContact O-N 3.49Å; Q220-W224 PolarHBondContact O-N 3.3Å; Q220-N245 HydrophobicContact CG-CB 4.45Å; Q220-N245 PolarHBondContact OE1-O 2.89Å |
| 221 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F189 Q217 I218 F219 D223 W224 L225 L252 | F189-A221 HydrophobicContact CZ-CB 3.73Å; Q217-A221 VanDerWaalsContact O-CB 3.25Å; Q217-A221 WeakPolarHBondContact O-CB 3.41Å; Q217-A221 PolarHBondContact O-N 2.89Å; I218-A221 PolarHBondContact O-N 3.23Å; F219-A221 VanDerWaalsContact C-N 3.32Å; F219-A221 PolarHBondContact O-N 2.96Å; A221-D223 VanDerWaalsContact C-N 3.33Å; A221-W224 PolarHBondContact O-N 3.3Å; A221-L225 PolarHBondContact O-N 2.83Å; A221-L225 VanDerWaalsContact O-N 3.12Å; A221-L252 HydrophobicContact CB-CB 4.28Å; A221-L252 HydrophobicContact CB-CD2 3.99Å; A221-L252 WeakPolarHBondContact O-CD2 3.31Å |
| 222 | Y | 98.4 | Very high | 95.6 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 4% | 0.039 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | 175.8 | -165.3 | -83.1 | 0 | 0 | 0 | 112.3 | F173 L176 F181 V184 V185 I218 F219 Q220 W224 L225 E226 | F173-Y222 HydrophobicContact CE1-CD1 4.09Å; F173-Y222 HydrophobicContact CE1-CG 4.5Å; F173-Y222 HydrophobicContact CZ-CD1 4.2Å; L176-Y222 WeakPolarHBondContact CD1-OH 3.4Å; L176-Y222 HydrophobicContact CD2-CD1 4.33Å; L176-Y222 HydrophobicContact CD2-CE1 3.58Å; L176-Y222 HydrophobicContact CD2-CE2 4.12Å; L176-Y222 VanDerWaalsContact CD2-CZ 3.45Å; L176-Y222 WeakPolarHBondContact CD2-OH 3.18Å; F181-Y222 AromaticContact CD2-CD2 3.67Å; F181-Y222 HydrophobicContact CD2-CD2 3.67Å; F181-Y222 AromaticContact CD2-CE2 3.91Å; F181-Y222 HydrophobicContact CD2-CE2 3.91Å; F181-Y222 HydrophobicContact CD2-CG 4.01Å; F181-Y222 AromaticContact CE2-CD2 3.7Å; F181-Y222 HydrophobicContact CE2-CD2 3.7Å; F181-Y222 HydrophobicContact CE2-CE2 4.41Å; F181-Y222 AromaticContact CE2-CG 3.79Å; F181-Y222 HydrophobicContact CE2-CG 3.79Å; V184-Y222 HydrophobicContact CB-CE2 4.02Å; V184-Y222 HydrophobicContact CG1-CD2 4.37Å; V184-Y222 HydrophobicContact CG1-CE2 3.93Å; V184-Y222 HydrophobicContact CG2-CE2 4.32Å; V185-Y222 HydrophobicContact CG1-CD2 3.64Å; V185-Y222 HydrophobicContact CG1-CE2 4.38Å; I218-Y222 PolarHBondContact O-N 2.81Å; F219-Y222 WeakPolarHBondContact O-CA 3.46Å; F219-Y222 WeakPolarHBondContact O-CB 3.11Å; F219-Y222 PolarHBondContact O-N 3.45Å; F219-Y222 VanDerWaalsContact O-N 3.07Å; Q220-Y222 VanDerWaalsContact C-N 3.34Å; Y222-W224 VanDerWaalsContact C-N 3.28Å; Y222-W224 PolarHBondContact O-N 3.24Å; Y222-L225 HydrophobicContact CD2-CD2 4.46Å; Y222-L225 HydrophobicContact CE2-CD2 4.48Å; Y222-L225 WeakPolarHBondContact O-CB 3.49Å; Y222-L225 PolarHBondContact O-N 3.34Å; Y222-L225 VanDerWaalsContact O-N 3.12Å; Y222-E226 HydrophobicContact CD1-CG 4.17Å; Y222-E226 HydrophobicContact CE1-CG 3.66Å; Y222-E226 PolarHBondContact O-N 3.11Å |
| 223 | D | 98.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -54.8 | -45.6 | 171.4 | -75.3 | -21.6 | 0 | 0 | 0 | 111.2 | L108 N169 W172 F173 F219 Q220 A221 L225 E226 L227 | L108-D223 HydrophobicContact CD2-CB 3.62Å; N169-D223 VanDerWaalsContact CB-OD1 3.23Å; N169-D223 WeakPolarHBondContact CB-OD1 3.25Å; N169-D223 PolarHBondContact ND2-OD1 3.05Å; N169-D223 PolarHBondContact ND2-OD2 2.94Å; W172-D223 HydrophobicContact CZ2-CB 4.02Å; W172-D223 WeakPolarHBondContact CZ2-OD1 3.45Å; W172-D223 PolarHBondContact NE1-OD1 2.81Å; F173-D223 WeakPolarHBondContact CE2-OD1 3.3Å; F219-D223 PolarHBondContact O-N 2.97Å; Q220-D223 WeakPolarHBondContact O-CB 3.42Å; Q220-D223 PolarHBondContact O-N 3.49Å; A221-D223 VanDerWaalsContact C-N 3.33Å; D223-L225 VanDerWaalsContact C-N 3.35Å; D223-L225 PolarHBondContact O-N 3.44Å; D223-E226 PolarHBondContact O-N 3.24Å; D223-L227 WeakPolarHBondContact O-CB 3.49Å; D223-L227 VanDerWaalsContact O-CG 3.32Å; D223-L227 WeakPolarHBondContact O-CG 3.47Å; D223-L227 PolarHBondContact O-N 3.42Å |
| 224 | W | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 177.1 | -157.5 | -12.5 | 0 | 0 | 0 | 111.7 | Y74 Q220 A221 Y222 E226 L227 Y228 C233 Q236 I246 L253 A261 | Y74-W224 HydrophobicContact CE1-CB 4.31Å; Y74-W224 AromaticContact CE1-CD1 3.47Å; Y74-W224 VanDerWaalsContact CE1-CD1 3.47Å; Y74-W224 AromaticContact CE1-CD2 3.73Å; Y74-W224 HydrophobicContact CE1-CD2 3.73Å; Y74-W224 AromaticContact CE1-CE2 3.75Å; Y74-W224 HydrophobicContact CE1-CE3 4.45Å; Y74-W224 AromaticContact CE1-CG 3.6Å; Y74-W224 HydrophobicContact CE1-CG 3.6Å; Y74-W224 HydrophobicContact CE1-CZ2 4.48Å; Y74-W224 AromaticContact CE1-NE1 3.59Å; Y74-W224 AromaticContact CZ-CG 3.86Å; Y74-W224 VanDerWaalsContact OH-CB 3.26Å; Y74-W224 WeakPolarHBondContact OH-CB 3.25Å; Y74-W224 VanDerWaalsContact OH-CG 3.31Å; Q220-W224 PolarHBondContact O-N 3.3Å; A221-W224 PolarHBondContact O-N 3.3Å; Y222-W224 VanDerWaalsContact C-N 3.28Å; Y222-W224 PolarHBondContact O-N 3.24Å; W224-E226 PolarHBondContact O-N 3.09Å; W224-L227 PolarHBondContact O-N 3.28Å; W224-Y228 WeakPolarHBondContact O-CB 3.46Å; W224-Y228 PolarHBondContact O-N 3.37Å; W224-C233 PolarHBondContact NE1-O 2.63Å; W224-Q236 HydrophobicContact CD2-CB 4.37Å; W224-Q236 HydrophobicContact CE3-CB 4.18Å; W224-Q236 HydrophobicContact CH2-CB 3.55Å; W224-Q236 HydrophobicContact CZ2-CB 3.69Å; W224-Q236 HydrophobicContact CZ3-CB 3.81Å; W224-I246 HydrophobicContact CH2-CG2 4.45Å; W224-I246 HydrophobicContact CZ3-CG2 4.1Å; W224-I246 WeakPolarHBondContact CZ3-O 3.39Å; W224-L253 HydrophobicContact CB-CD1 4.34Å; W224-L253 HydrophobicContact CD2-CD1 3.71Å; W224-L253 HydrophobicContact CE3-CD1 4.49Å; W224-L253 HydrophobicContact CG-CD1 3.62Å; W224-L253 HydrophobicContact CZ2-CD1 4.48Å; W224-A261 HydrophobicContact CH2-CB 3.73Å; W224-A261 HydrophobicContact CZ2-CB 3.39Å; W224-A261 HydrophobicContact CZ3-CB 4.47Å |
| 225 | L | 98.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.016 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.7 | 177.6 | 62.8 | 0 | 0 | 0 | 111.9 | V184 A221 Y222 D223 Y228 K229 L252 L253 C256 | V184-L225 HydrophobicContact CG1-CD2 3.53Å; A221-L225 PolarHBondContact O-N 2.83Å; A221-L225 VanDerWaalsContact O-N 3.12Å; Y222-L225 HydrophobicContact CD2-CD2 4.46Å; Y222-L225 HydrophobicContact CE2-CD2 4.48Å; Y222-L225 WeakPolarHBondContact O-CB 3.49Å; Y222-L225 PolarHBondContact O-N 3.34Å; Y222-L225 VanDerWaalsContact O-N 3.12Å; D223-L225 VanDerWaalsContact C-N 3.35Å; D223-L225 PolarHBondContact O-N 3.44Å; L225-Y228 PolarHBondContact O-N 2.93Å; L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.35Å; L225-L252 HydrophobicContact CB-CD2 4Å; L225-L252 HydrophobicContact CD2-CD2 4.08Å; L225-L252 HydrophobicContact CD2-CG 4.33Å; L225-L253 HydrophobicContact CD1-CD2 4.01Å; L225-C256 HydrophobicContact CD1-CB 4.3Å |
| 226 | E | 97.5 | Very high | 96.6 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 11% | 0.112 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68.5 | -42 | 177.3 | -88.2 | -52.8 | 137.6 | 0 | 0 | 112.9 | W172 Y222 D223 W224 Y228 K229 R230 | W172-E226 HydrophobicContact CB-CG 4.29Å; W172-E226 HydrophobicContact CD2-CB 4.08Å; W172-E226 HydrophobicContact CD2-CG 4.24Å; W172-E226 HydrophobicContact CE3-CB 4.38Å; W172-E226 HydrophobicContact CG-CB 4.4Å; W172-E226 HydrophobicContact CG-CG 4.04Å; W172-E226 HydrophobicContact CZ2-CB 4.46Å; Y222-E226 HydrophobicContact CD1-CG 4.17Å; Y222-E226 HydrophobicContact CE1-CG 3.66Å; Y222-E226 PolarHBondContact O-N 3.11Å; D223-E226 PolarHBondContact O-N 3.24Å; W224-E226 PolarHBondContact O-N 3.09Å; E226-Y228 VanDerWaalsContact C-N 3.3Å; E226-Y228 PolarHBondContact O-N 2.94Å; E226-K229 PolarHBondContact O-N 2.97Å; E226-K229 WeakPolarHBondContact OE1-CD 3.42Å; E226-K229 IonicContact OE1-NZ 3.75Å; E226-K229 PolarHBondContact OE1-NZ 3.33Å; E226-R230 WeakPolarHBondContact O-CB 3.32Å; E226-R230 WeakPolarHBondContact O-CD 3.22Å; E226-R230 VanDerWaalsContact O-CG 3.27Å; E226-R230 WeakPolarHBondContact O-CG 3.19Å; E226-R230 PolarHBondContact O-N 3.04Å; E226-R230 IonicContact OE2-NE 3.95Å; E226-R230 PolarHBondContact OE2-NE 3.22Å; E226-R230 VanDerWaalsContact OE2-NE 3.14Å |
| 227 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 173.2 | -72.7 | 179.5 | 0 | 0 | 0 | 111.5 | Y74 I106 L108 I167 W172 D223 W224 R230 T231 | Y74-L227 HydrophobicContact CD1-CD1 4.04Å; Y74-L227 HydrophobicContact CD2-CD1 3.38Å; Y74-L227 HydrophobicContact CE1-CD1 4.29Å; Y74-L227 HydrophobicContact CE2-CD1 3.68Å; Y74-L227 HydrophobicContact CG-CD1 3.55Å; I106-L227 HydrophobicContact CG2-CD2 4.08Å; L108-L227 HydrophobicContact CB-CD1 4.38Å; L108-L227 HydrophobicContact CD2-CD1 4.06Å; I167-L227 HydrophobicContact CG2-CD2 3.98Å; W172-L227 HydrophobicContact CH2-CD2 4.24Å; W172-L227 HydrophobicContact CH2-CG 4.43Å; D223-L227 WeakPolarHBondContact O-CB 3.49Å; D223-L227 VanDerWaalsContact O-CG 3.32Å; D223-L227 WeakPolarHBondContact O-CG 3.47Å; D223-L227 PolarHBondContact O-N 3.42Å; W224-L227 PolarHBondContact O-N 3.28Å; L227-R230 PolarHBondContact O-N 2.77Å; L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.38Å; L227-T231 PolarHBondContact O-OG1 3.36Å |
| 228 | Y | 96.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 15.2 Ų | 15.2 | 11% | 0.106 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 175.6 | 167.3 | -106.8 | 0 | 0 | 0 | 111.8 | W224 L225 E226 R230 G232 L234 L253 C257 R259 | W224-Y228 WeakPolarHBondContact O-CB 3.46Å; W224-Y228 PolarHBondContact O-N 3.37Å; L225-Y228 PolarHBondContact O-N 2.93Å; E226-Y228 VanDerWaalsContact C-N 3.3Å; E226-Y228 PolarHBondContact O-N 2.94Å; Y228-R230 VanDerWaalsContact C-N 3.27Å; Y228-R230 PolarHBondContact O-N 2.87Å; Y228-G232 VanDerWaalsContact O-CA 3.24Å; Y228-G232 WeakPolarHBondContact O-CA 3.5Å; Y228-G232 PolarHBondContact O-N 3.36Å; Y228-L234 HydrophobicContact CD2-CD2 3.53Å; Y228-L234 HydrophobicContact CD2-CG 3.88Å; Y228-L234 HydrophobicContact CE2-CD1 4.27Å; Y228-L234 HydrophobicContact CE2-CD2 3.85Å; Y228-L234 HydrophobicContact CE2-CG 4.08Å; Y228-L234 HydrophobicContact CG-CD2 4.27Å; Y228-L253 HydrophobicContact CD1-CD2 3.64Å; Y228-L253 HydrophobicContact CG-CD2 3.65Å; Y228-C257 HydrophobicContact CD1-CB 4.42Å; Y228-C257 HydrophobicContact CE1-CB 3.79Å; Y228-R259 HydrophobicContact CE1-CG 4.34Å; Y228-R259 HydrophobicContact CE2-CG 4.08Å; Y228-R259 WeakPolarHBondContact OH-CG 3.29Å; Y228-R259 PolarHBondContact OH-NE 3.33Å |
| 229 | K | 94.5 | Very high | 96.6 | Very high | 93 Ų | 93 | 15 Ų | 15 | 40% | 0.404 | 7% | 0.071 | S | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 178 | -72.7 | 174.8 | -169.4 | 167.4 | 0 | 112.1 | L225 E226 | L225-K229 WeakPolarHBondContact O-CG 3.46Å; L225-K229 PolarHBondContact O-N 3.35Å; E226-K229 PolarHBondContact O-N 2.97Å; E226-K229 WeakPolarHBondContact OE1-CD 3.42Å; E226-K229 IonicContact OE1-NZ 3.75Å; E226-K229 PolarHBondContact OE1-NZ 3.33Å |
| 230 | R | 93.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 15.1 Ų | 15.1 | 20% | 0.2 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -79.1 | -38.5 | -175.8 | -69.9 | 167.6 | -179.6 | -107.5 | 8.8 | 113.3 | F22 E171 E226 L227 Y228 | F22-R230 WeakPolarHBondContact CB-O 3.21Å; F22-R230 HydrophobicContact CD1-CB 3.73Å; F22-R230 HydrophobicContact CD2-CB 4.36Å; F22-R230 HydrophobicContact CD2-CG 4.33Å; F22-R230 HydrophobicContact CE1-CB 3.99Å; F22-R230 HydrophobicContact CE2-CG 4.45Å; F22-R230 HydrophobicContact CG-CB 3.95Å; F22-R230 HydrophobicContact CG-CG 4.39Å; F22-R230 HydrophobicContact CZ-CB 4.43Å; E171-R230 IonicContact OE1-CZ 2.9Å; E171-R230 IonicContact OE1-NH1 2.77Å; E171-R230 PolarHBondContact OE1-NH1 2.75Å; E171-R230 IonicContact OE1-NH2 3.81Å; E226-R230 WeakPolarHBondContact O-CB 3.32Å; E226-R230 WeakPolarHBondContact O-CD 3.22Å; E226-R230 VanDerWaalsContact O-CG 3.27Å; E226-R230 WeakPolarHBondContact O-CG 3.19Å; E226-R230 PolarHBondContact O-N 3.04Å; E226-R230 IonicContact OE2-NE 3.95Å; E226-R230 PolarHBondContact OE2-NE 3.22Å; E226-R230 VanDerWaalsContact OE2-NE 3.14Å; L227-R230 PolarHBondContact O-N 2.77Å; Y228-R230 VanDerWaalsContact C-N 3.27Å; Y228-R230 PolarHBondContact O-N 2.87Å |
| 231 | T | 93.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -124.3 | -15 | -166.3 | 68 | 0 | 0 | 0 | 0 | 114.2 | F22 Y25 I106 L165 L227 C233 | F22-T231 HydrophobicContact CD1-CG2 4.01Å; F22-T231 HydrophobicContact CE1-CG2 4.1Å; Y25-T231 HydrophobicContact CD1-CG2 3.81Å; Y25-T231 HydrophobicContact CE1-CG2 3.85Å; I106-T231 HydrophobicContact CD1-CG2 3.8Å; I106-T231 WeakPolarHBondContact CD1-OG1 3.37Å; L165-T231 HydrophobicContact CD2-CG2 4.13Å; L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.38Å; L227-T231 PolarHBondContact O-OG1 3.36Å; T231-C233 VanDerWaalsContact C-N 3.26Å; T231-C233 WeakPolarHBondContact OG1-CB 3.4Å; T231-C233 PolarHBondContact OG1-N 3.25Å |
| 232 | G | 93 | Very high | 95.6 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | trans | 75.9 | 8.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y228 L234 | Y228-G232 VanDerWaalsContact O-CA 3.24Å; Y228-G232 WeakPolarHBondContact O-CA 3.5Å; Y228-G232 PolarHBondContact O-N 3.36Å; G232-L234 PolarHBondContact O-N 2.79Å | ||
| 233 | C | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -63 | 121.5 | -178.2 | -170.3 | 0 | 0 | 0 | 0 | 112.3 | C72 I106 W224 T231 L235 | C72-C233 HydrophobicContact CB-CB 4.4Å; C72-C233 PolarHBondContact O-SG 3.04Å; I106-C233 HydrophobicContact CD1-CB 3.99Å; W224-C233 PolarHBondContact NE1-O 2.63Å; T231-C233 VanDerWaalsContact C-N 3.26Å; T231-C233 WeakPolarHBondContact OG1-CB 3.4Å; T231-C233 PolarHBondContact OG1-N 3.25Å; C233-L235 PolarHBondContact SG-O 2.9Å | ||
| 234 | L | 97.2 | Very high | 95 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 5% | 0.047 | 12% | 0.115 | C | C | . | . | trans | -122.3 | 10.6 | 177.5 | -70.6 | 173.1 | 0 | 0 | 0 | 112.3 | V69 Y228 G232 L253 R259 A261 Y262 | V69-L234 HydrophobicContact CB-CB 4.16Å; V69-L234 HydrophobicContact CB-CD1 4.37Å; V69-L234 HydrophobicContact CG1-CB 3.94Å; V69-L234 HydrophobicContact CG1-CD1 3.87Å; Y228-L234 HydrophobicContact CD2-CD2 3.53Å; Y228-L234 HydrophobicContact CD2-CG 3.88Å; Y228-L234 HydrophobicContact CE2-CD1 4.27Å; Y228-L234 HydrophobicContact CE2-CD2 3.85Å; Y228-L234 HydrophobicContact CE2-CG 4.08Å; Y228-L234 HydrophobicContact CG-CD2 4.27Å; G232-L234 PolarHBondContact O-N 2.79Å; L234-L253 HydrophobicContact CD2-CD1 4.22Å; L234-R259 HydrophobicContact CD1-CB 4.44Å; L234-R259 HydrophobicContact CD2-CB 3.91Å; L234-A261 HydrophobicContact CD2-CB 4.06Å; L234-A261 CarbonylContact O-C 3.39Å; L234-A261 WeakPolarHBondContact O-CA 3.14Å; L234-Y262 PolarHBondContact O-N 3.03Å | ||
| 235 | L | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.8 | 176.2 | -59.8 | 179 | 0 | 0 | 0 | 110.2 | I38 L66 V69 C72 I73 Y74 F103 C233 Y262 | I38-L235 HydrophobicContact CG2-CD1 4.04Å; L66-L235 HydrophobicContact CD2-CD2 3.75Å; V69-L235 HydrophobicContact CG2-CD1 4.26Å; V69-L235 HydrophobicContact CG2-CD2 3.94Å; V69-L235 HydrophobicContact CG2-CG 4.09Å; C72-L235 WeakPolarHBondContact O-CB 3.42Å; I73-L235 WeakPolarHBondContact CA-O 3.34Å; I73-L235 HydrophobicContact CB-CB 3.91Å; I73-L235 HydrophobicContact CD1-CB 4.17Å; I73-L235 HydrophobicContact CG1-CB 3.8Å; Y74-L235 WeakPolarHBondContact CD1-O 3.29Å; Y74-L235 PolarHBondContact N-O 3.34Å; F103-L235 HydrophobicContact CE1-CD1 3.88Å; C233-L235 PolarHBondContact SG-O 2.9Å; L235-Y262 WeakPolarHBondContact CA-O 3.36Å; L235-Y262 HydrophobicContact CD2-CD2 4.15Å; L235-Y262 HydrophobicContact CD2-CG 4.37Å |
| 236 | Q | 98.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 2% | 0.023 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129.6 | 172 | -172.8 | 172.8 | 9.9 | 0 | 0 | 110.2 | Y74 W224 I246 Y262 G263 L264 | Y74-Q236 HydrophobicContact CD1-CB 4.08Å; Y74-Q236 HydrophobicContact CD1-CG 4.17Å; Y74-Q236 HydrophobicContact CE1-CB 3.51Å; Y74-Q236 HydrophobicContact CE1-CG 3.55Å; Y74-Q236 HydrophobicContact CE2-CG 4.07Å; Y74-Q236 CarbonylContact O-C 3.46Å; Y74-Q236 WeakPolarHBondContact O-CA 3.48Å; Y74-Q236 PolarHBondContact OH-NE2 3.41Å; Y74-Q236 VanDerWaalsContact OH-NE2 3.16Å; Y74-Q236 PolarHBondContact OH-OE1 3.24Å; W224-Q236 HydrophobicContact CD2-CB 4.37Å; W224-Q236 HydrophobicContact CE3-CB 4.18Å; W224-Q236 HydrophobicContact CH2-CB 3.55Å; W224-Q236 HydrophobicContact CZ2-CB 3.69Å; W224-Q236 HydrophobicContact CZ3-CB 3.81Å; Q236-I246 HydrophobicContact CB-CG1 4.35Å; Q236-I246 VanDerWaalsContact CD-CG1 3.49Å; Q236-I246 HydrophobicContact CG-CD1 4.4Å; Q236-I246 HydrophobicContact CG-CG1 4.01Å; Q236-Y262 PolarHBondContact N-O 2.99Å; Q236-G263 CarbonylContact O-C 3.52Å; Q236-G263 WeakPolarHBondContact O-CA 3.39Å; Q236-L264 PolarHBondContact O-N 3.45Å |
| 237 | L | 98.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.9 | 166.9 | -172.6 | 74.2 | 0 | 0 | 0 | 109.1 | I73 Y74 A75 V91 T94 L95 L264 V266 | I73-L237 HydrophobicContact CD1-CB 3.87Å; I73-L237 HydrophobicContact CG1-CB 4.19Å; Y74-L237 PolarHBondContact O-N 3.24Å; A75-L237 HydrophobicContact CB-CB 4.27Å; A75-L237 WeakPolarHBondContact CB-O 3.47Å; V91-L237 HydrophobicContact CG1-CD2 3.81Å; V91-L237 HydrophobicContact CG1-CG 4.31Å; T94-L237 HydrophobicContact CG2-CD1 3.91Å; T94-L237 HydrophobicContact CG2-CD2 3.69Å; T94-L237 HydrophobicContact CG2-CG 4.48Å; L95-L237 HydrophobicContact CD2-CB 4.25Å; L95-L237 HydrophobicContact CD2-CD2 3.85Å; L95-L237 HydrophobicContact CG-CD2 3.87Å; L237-L264 WeakPolarHBondContact CA-O 3.48Å; L237-L264 HydrophobicContact CD1-CB 3.84Å; L237-V266 HydrophobicContact CD1-CG1 3.72Å; L237-V266 HydrophobicContact CG-CG1 4.18Å |
| 238 | G | 95.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 7% | 0.072 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 168.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L264 L265 V266 | G238-L264 PolarHBondContact N-O 3.02Å; G238-L265 CarbonylContact O-C 3.54Å; G238-L265 VanDerWaalsContact O-CA 3.3Å; G238-L265 WeakPolarHBondContact O-CA 3.5Å; G238-V266 PolarHBondContact O-N 2.64Å |
| 239 | G | 92.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 21 Ų | 21 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 158.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D241 Q242 | G239-D241 VanDerWaalsContact C-OD1 3.24Å; G239-D241 VanDerWaalsContact CA-OD1 3.32Å; G239-D241 WeakPolarHBondContact CA-OD1 3.49Å; G239-D241 PolarHBondContact O-N 3.39Å; G239-D241 VanDerWaalsContact O-N 3.11Å; G239-Q242 WeakPolarHBondContact O-CA 3.43Å; G239-Q242 VanDerWaalsContact O-CB 3.29Å; G239-Q242 WeakPolarHBondContact O-CB 3.4Å; G239-Q242 PolarHBondContact O-N 3.28Å |
| 240 | I | 90.7 | Very high | 94.6 | Very high | 54 Ų | 54 | 17.9 Ų | 17.9 | 28% | 0.277 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -54.7 | -28.1 | 175.8 | -168.3 | 64.9 | 0 | 0 | 0 | 113.3 | S53 Q242 T243 L265 V266 L268 | S53-I240 WeakPolarHBondContact OG-CD1 3.37Å; I240-Q242 PolarHBondContact O-N 2.92Å; I240-T243 WeakPolarHBondContact O-CB 3.48Å; I240-T243 PolarHBondContact O-N 3.22Å; I240-T243 PolarHBondContact O-OG1 2.91Å; I240-L265 HydrophobicContact CD1-CB 4.03Å; I240-L265 HydrophobicContact CD1-CG 4.29Å; I240-V266 PolarHBondContact N-O 3.13Å; I240-L268 HydrophobicContact CG2-CD1 4.08Å; I240-L268 HydrophobicContact CG2-CG 3.68Å |
| 241 | D | 87.9 | Confident | 94.7 | Very high | 62 Ų | 62 | 16.6 Ų | 16.6 | 33% | 0.332 | 10% | 0.097 | S | C | . | . | G | 310 helix | trans | -68.1 | -16.2 | 173.3 | 58.6 | -31.2 | 0 | 0 | 0 | 113.7 | S120 G239 | S120-D241 WeakPolarHBondContact CB-O 3.26Å; S120-D241 PolarHBondContact OG-O 3.43Å; G239-D241 VanDerWaalsContact C-OD1 3.24Å; G239-D241 VanDerWaalsContact CA-OD1 3.32Å; G239-D241 WeakPolarHBondContact CA-OD1 3.49Å; G239-D241 PolarHBondContact O-N 3.39Å; G239-D241 VanDerWaalsContact O-N 3.11Å |
| 242 | Q | 92.7 | Very high | 94.9 | Very high | 29 Ų | 29 | 16.6 Ų | 16.6 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -91.4 | 3.4 | 176.5 | -62.3 | -64.9 | -41.7 | 0 | 0 | 113.5 | D118 G239 I240 G244 N245 I246 | D118-Q242 PolarHBondContact OD2-NE2 2.82Å; G239-Q242 WeakPolarHBondContact O-CA 3.43Å; G239-Q242 VanDerWaalsContact O-CB 3.29Å; G239-Q242 WeakPolarHBondContact O-CB 3.4Å; G239-Q242 PolarHBondContact O-N 3.28Å; I240-Q242 PolarHBondContact O-N 2.92Å; Q242-G244 VanDerWaalsContact C-N 3.31Å; Q242-G244 PolarHBondContact O-N 2.91Å; Q242-N245 PolarHBondContact O-N 3.22Å; Q242-N245 VanDerWaalsContact O-N 3.09Å; Q242-N245 PolarHBondContact OE1-ND2 3.37Å; Q242-I246 HydrophobicContact CB-CD1 4.26Å; Q242-I246 PolarHBondContact O-N 2.93Å |
| 243 | T | 92.7 | Very high | 95.1 | Very high | 48 Ų | 48 | 16.3 Ų | 16.3 | 29% | 0.294 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -55.2 | -43.7 | -177.7 | -59 | 0 | 0 | 0 | 0 | 112.5 | I240 N245 I246 H247 | I240-T243 WeakPolarHBondContact O-CB 3.48Å; I240-T243 PolarHBondContact O-N 3.22Å; I240-T243 PolarHBondContact O-OG1 2.91Å; T243-N245 VanDerWaalsContact C-N 3.33Å; T243-N245 PolarHBondContact O-N 2.69Å; T243-I246 PolarHBondContact O-N 3.14Å; T243-H247 WeakPolarHBondContact O-CB 3.44Å; T243-H247 PolarHBondContact O-N 3.28Å |
| 244 | G | 91.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 18.5 Ų | 18.5 | 21% | 0.206 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q242 H247 S248 | Q242-G244 VanDerWaalsContact C-N 3.31Å; Q242-G244 PolarHBondContact O-N 2.91Å; G244-H247 WeakPolarHBondContact O-CB 3.41Å; G244-H247 PolarHBondContact O-N 2.74Å; G244-S248 PolarHBondContact O-N 3.4Å; G244-S248 PolarHBondContact O-OG 3.1Å |
| 245 | N | 94.8 | Very high | 95 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -72.4 | -43.9 | -179.9 | -60.8 | -32.8 | 0 | 0 | 0 | 111.1 | S120 Y216 Q217 Q220 Q242 T243 H247 S248 G249 | S120-N245 PolarHBondContact OG-ND2 2.96Å; Y216-N245 WeakPolarHBondContact CE1-ND2 3.18Å; Q217-N245 WeakPolarHBondContact CB-OD1 3.46Å; Q220-N245 HydrophobicContact CG-CB 4.45Å; Q220-N245 PolarHBondContact OE1-O 2.89Å; Q242-N245 PolarHBondContact O-N 3.22Å; Q242-N245 VanDerWaalsContact O-N 3.09Å; Q242-N245 PolarHBondContact OE1-ND2 3.37Å; T243-N245 VanDerWaalsContact C-N 3.33Å; T243-N245 PolarHBondContact O-N 2.69Å; N245-H247 VanDerWaalsContact C-N 3.29Å; N245-H247 PolarHBondContact O-N 2.71Å; N245-S248 WeakPolarHBondContact O-CB 3.32Å; N245-S248 PolarHBondContact O-N 2.72Å; N245-G249 PolarHBondContact O-N 3.47Å |
| 246 | I | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 172.6 | -77.1 | 161.9 | 0 | 0 | 0 | 111.3 | F55 W224 Q236 Q242 T243 S248 G249 H250 L265 | F55-I246 HydrophobicContact CB-CG2 3.77Å; F55-I246 HydrophobicContact CD1-CG2 4.04Å; F55-I246 HydrophobicContact CG-CG2 4.07Å; W224-I246 HydrophobicContact CH2-CG2 4.45Å; W224-I246 HydrophobicContact CZ3-CG2 4.1Å; W224-I246 WeakPolarHBondContact CZ3-O 3.39Å; Q236-I246 HydrophobicContact CB-CG1 4.35Å; Q236-I246 VanDerWaalsContact CD-CG1 3.49Å; Q236-I246 HydrophobicContact CG-CD1 4.4Å; Q236-I246 HydrophobicContact CG-CG1 4.01Å; Q242-I246 HydrophobicContact CB-CD1 4.26Å; Q242-I246 PolarHBondContact O-N 2.93Å; T243-I246 PolarHBondContact O-N 3.14Å; I246-S248 VanDerWaalsContact C-N 3.32Å; I246-S248 PolarHBondContact O-N 3.44Å; I246-G249 PolarHBondContact O-N 3.02Å; I246-H250 PolarHBondContact O-N 3.11Å; I246-L265 HydrophobicContact CD1-CD1 3.27Å |
| 247 | H | 94.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 27 Ų | 27 | 20% | 0.199 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.5 | -176.3 | -52.1 | 0 | 0 | 0 | 111.7 | F55 H193 K197 T243 G244 N245 G249 H250 D251 | F55-H247 HydrophobicContact CE1-CB 4.32Å; F55-H247 HydrophobicContact CE2-CB 4.02Å; F55-H247 AromaticContact CE2-CD2 3.25Å; F55-H247 WeakPolarHBondContact CE2-CD2 3.36Å; F55-H247 AromaticContact CE2-CG 3.83Å; F55-H247 HydrophobicContact CZ-CB 3.9Å; F55-H247 AromaticContact CZ-CD2 3.26Å; F55-H247 WeakPolarHBondContact CZ-CD2 3.32Å; F55-H247 AromaticContact CZ-CG 3.56Å; F55-H247 AromaticContact CZ-NE2 3.84Å; H193-H247 AromaticContact CE1-CE1 3.29Å; H193-H247 PolarHBondContact CE1-CE1 3.49Å; H193-H247 AromaticContact CE1-ND1 3.96Å; H193-H247 AromaticContact CE1-NE2 3.75Å; H193-H247 AromaticContact NE2-CE1 3.12Å; H193-H247 PolarHBondContact NE2-CE1 2.93Å; H193-H247 AromaticContact NE2-ND1 3.46Å; H193-H247 PolarHBondContact NE2-ND1 2.84Å; H193-H247 AromaticContact NE2-NE2 3.99Å; K197-H247 PolarHBondContact NZ-ND1 3Å; T243-H247 WeakPolarHBondContact O-CB 3.44Å; T243-H247 PolarHBondContact O-N 3.28Å; G244-H247 WeakPolarHBondContact O-CB 3.41Å; G244-H247 PolarHBondContact O-N 2.74Å; N245-H247 VanDerWaalsContact C-N 3.29Å; N245-H247 PolarHBondContact O-N 2.71Å; H247-G249 VanDerWaalsContact C-N 3.34Å; H247-G249 PolarHBondContact O-N 3.01Å; H247-H250 PolarHBondContact O-N 3.3Å; H247-D251 VanDerWaalsContact CE1-CG 3.5Å; H247-D251 IonicContact CE1-OD1 2.89Å; H247-D251 PolarHBondContact CE1-OD1 3.38Å; H247-D251 IonicContact CE1-OD2 3.03Å; H247-D251 PolarHBondContact CE1-OD2 3.18Å; H247-D251 IonicContact ND1-OD1 3.55Å; H247-D251 IonicContact ND1-OD2 2.63Å; H247-D251 PolarHBondContact ND1-OD2 2.69Å; H247-D251 PolarHBondContact O-N 3.02Å |
| 248 | S | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 178.8 | -68.5 | 0 | 0 | 0 | 0 | 112 | Q217 G244 N245 I246 D251 L252 | Q217-S248 PolarHBondContact OE1-OG 3.32Å; Q217-S248 VanDerWaalsContact OE1-OG 3.07Å; G244-S248 PolarHBondContact O-N 3.4Å; G244-S248 PolarHBondContact O-OG 3.1Å; N245-S248 WeakPolarHBondContact O-CB 3.32Å; N245-S248 PolarHBondContact O-N 2.72Å; I246-S248 VanDerWaalsContact C-N 3.32Å; I246-S248 PolarHBondContact O-N 3.44Å; S248-D251 PolarHBondContact O-N 2.81Å; S248-L252 PolarHBondContact O-N 3.25Å; S248-L252 VanDerWaalsContact O-N 3.09Å |
| 249 | G | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N245 I246 H247 D251 L252 L253 | N245-G249 PolarHBondContact O-N 3.47Å; I246-G249 PolarHBondContact O-N 3.02Å; H247-G249 VanDerWaalsContact C-N 3.34Å; H247-G249 PolarHBondContact O-N 3.01Å; G249-D251 PolarHBondContact O-N 3.4Å; G249-L252 PolarHBondContact O-N 2.82Å; G249-L253 PolarHBondContact O-N 3.43Å |
| 250 | H | 96.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 13% | 0.125 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -49.2 | 172.1 | 171.4 | 104.1 | 0 | 0 | 0 | 111.8 | F55 I246 H247 L252 L253 S254 A261 | F55-H250 HydrophobicContact CD1-CB 4.05Å; F55-H250 HydrophobicContact CE1-CB 3.51Å; F55-H250 AromaticContact CE1-CD2 3.88Å; F55-H250 AromaticContact CE1-CG 3.5Å; F55-H250 AromaticContact CE1-ND1 3.86Å; I246-H250 PolarHBondContact O-N 3.11Å; H247-H250 PolarHBondContact O-N 3.3Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 PolarHBondContact O-N 3.2Å; H250-L253 PolarHBondContact O-N 2.8Å; H250-S254 WeakPolarHBondContact O-CB 3.3Å; H250-S254 PolarHBondContact O-N 2.75Å; H250-A261 PolarHBondContact ND1-O 3.41Å |
| 251 | D | 95.4 | Very high | 95 | Very high | 25 Ų | 25 | 36.7 Ų | 36.7 | 13% | 0.134 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -42.4 | -179.7 | -76.6 | -16.4 | 0 | 0 | 0 | 111.2 | H193 H247 S248 G249 K255 | H193-D251 IonicContact CD2-OD2 3.43Å; H193-D251 IonicContact CE1-OD2 3.45Å; H193-D251 IonicContact NE2-OD2 3.03Å; H193-D251 PolarHBondContact NE2-OD2 2.87Å; H247-D251 VanDerWaalsContact CE1-CG 3.5Å; H247-D251 IonicContact CE1-OD1 2.89Å; H247-D251 PolarHBondContact CE1-OD1 3.38Å; H247-D251 IonicContact CE1-OD2 3.03Å; H247-D251 PolarHBondContact CE1-OD2 3.18Å; H247-D251 IonicContact ND1-OD1 3.55Å; H247-D251 IonicContact ND1-OD2 2.63Å; H247-D251 PolarHBondContact ND1-OD2 2.69Å; H247-D251 PolarHBondContact O-N 3.02Å; S248-D251 PolarHBondContact O-N 2.81Å; G249-D251 PolarHBondContact O-N 3.4Å; D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 WeakPolarHBondContact O-CD 3.37Å; D251-K255 VanDerWaalsContact O-CG 3.24Å; D251-K255 WeakPolarHBondContact O-CG 3.41Å; D251-K255 PolarHBondContact O-N 2.86Å; D251-K255 VanDerWaalsContact O-N 3.08Å |
| 252 | L | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -45.6 | 179.1 | -172.7 | 63.7 | 0 | 0 | 0 | 111.9 | V185 Q188 F189 A221 L225 S248 G249 H250 K255 C256 | V185-L252 HydrophobicContact CG1-CD1 4.23Å; V185-L252 HydrophobicContact CG1-CD2 4.19Å; Q188-L252 HydrophobicContact CB-CD1 3.83Å; Q188-L252 HydrophobicContact CG-CD1 3.84Å; F189-L252 HydrophobicContact CE2-CB 4.45Å; F189-L252 HydrophobicContact CE2-CD1 3.95Å; F189-L252 HydrophobicContact CE2-CD2 4.44Å; F189-L252 HydrophobicContact CZ-CB 3.95Å; F189-L252 HydrophobicContact CZ-CD1 4.31Å; F189-L252 HydrophobicContact CZ-CD2 4.47Å; F189-L252 HydrophobicContact CZ-CG 4.47Å; A221-L252 HydrophobicContact CB-CB 4.28Å; A221-L252 HydrophobicContact CB-CD2 3.99Å; A221-L252 WeakPolarHBondContact O-CD2 3.31Å; L225-L252 HydrophobicContact CB-CD2 4Å; L225-L252 HydrophobicContact CD2-CD2 4.08Å; L225-L252 HydrophobicContact CD2-CG 4.33Å; S248-L252 PolarHBondContact O-N 3.25Å; S248-L252 VanDerWaalsContact O-N 3.09Å; G249-L252 PolarHBondContact O-N 2.82Å; H250-L252 VanDerWaalsContact C-N 3.27Å; H250-L252 PolarHBondContact O-N 3.2Å; L252-K255 PolarHBondContact O-N 3.03Å; L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.49Å; L252-C256 PolarHBondContact O-N 2.88Å |
| 253 | L | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 178.2 | -76.9 | 166.8 | 0 | 0 | 0 | 112.5 | W224 L225 Y228 L234 G249 H250 C257 G258 R259 A261 | W224-L253 HydrophobicContact CB-CD1 4.34Å; W224-L253 HydrophobicContact CD2-CD1 3.71Å; W224-L253 HydrophobicContact CE3-CD1 4.49Å; W224-L253 HydrophobicContact CG-CD1 3.62Å; W224-L253 HydrophobicContact CZ2-CD1 4.48Å; L225-L253 HydrophobicContact CD1-CD2 4.01Å; Y228-L253 HydrophobicContact CD1-CD2 3.64Å; Y228-L253 HydrophobicContact CG-CD2 3.65Å; L234-L253 HydrophobicContact CD2-CD1 4.22Å; G249-L253 PolarHBondContact O-N 3.43Å; H250-L253 PolarHBondContact O-N 2.8Å; L253-C257 CarbonylContact O-C 3.32Å; L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.25Å; L253-C257 PolarHBondContact O-N 3.48Å; L253-G258 PolarHBondContact O-N 3.32Å; L253-R259 CarbonylContact C-O 3.6Å; L253-R259 PolarHBondContact O-N 2.9Å; L253-A261 HydrophobicContact CB-CB 4.4Å; L253-A261 HydrophobicContact CD1-CB 3.48Å; L253-A261 VanDerWaalsContact CD1-CB 3.48Å |
| 254 | S | 96.3 | Very high | 96 | Very high | 45 Ų | 45 | 30.5 Ų | 30.5 | 32% | 0.315 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.3 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | H250 G258 R259 | H250-S254 WeakPolarHBondContact O-CB 3.3Å; H250-S254 PolarHBondContact O-N 2.75Å; S254-G258 WeakPolarHBondContact O-CA 3.41Å; S254-G258 PolarHBondContact O-N 2.9Å; S254-R259 VanDerWaalsContact CA-O 3.28Å; S254-R259 WeakPolarHBondContact CA-O 3.31Å; S254-R259 PolarHBondContact N-O 2.79Å |
| 255 | K | 95.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 29.6 Ų | 29.6 | 43% | 0.43 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -75.4 | -39.7 | -177.4 | -66.3 | 166 | -176.5 | 156.8 | 0 | 114.1 | Q188 D251 L252 | Q188-K255 HydrophobicContact CB-CD 4.09Å; Q188-K255 WeakPolarHBondContact O-CD 3.33Å; Q188-K255 PolarHBondContact O-NZ 2.92Å; Q188-K255 VanDerWaalsContact OE1-CB 3.23Å; D251-K255 WeakPolarHBondContact O-CB 3.3Å; D251-K255 WeakPolarHBondContact O-CD 3.37Å; D251-K255 VanDerWaalsContact O-CG 3.24Å; D251-K255 WeakPolarHBondContact O-CG 3.41Å; D251-K255 PolarHBondContact O-N 2.86Å; D251-K255 VanDerWaalsContact O-N 3.08Å; L252-K255 PolarHBondContact O-N 3.03Å |
| 256 | C | 95.7 | Very high | 96.2 | Very high | 49 Ų | 49 | 29.8 Ų | 29.8 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -84.1 | -27.9 | -177.1 | -72.7 | 0 | 0 | 0 | 0 | 113.5 | L225 L252 | L225-C256 HydrophobicContact CD1-CB 4.3Å; L252-C256 VanDerWaalsContact O-CB 3.23Å; L252-C256 WeakPolarHBondContact O-CB 3.49Å; L252-C256 PolarHBondContact O-N 2.88Å |
| 257 | C | 94.9 | Very high | 95.9 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 30% | 0.297 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -130 | -3 | -169.8 | -62.4 | 0 | 0 | 0 | 0 | 113.9 | Y228 L253 R259 | Y228-C257 HydrophobicContact CD1-CB 4.42Å; Y228-C257 HydrophobicContact CE1-CB 3.79Å; L253-C257 CarbonylContact O-C 3.32Å; L253-C257 WeakPolarHBondContact O-CA 3.27Å; L253-C257 WeakPolarHBondContact O-CB 3.25Å; L253-C257 PolarHBondContact O-N 3.48Å; C257-R259 HydrophobicContact CB-CB 4.44Å; C257-R259 HydrophobicContact CB-CG 4.1Å; C257-R259 PolarHBondContact O-N 3.44Å |
| 258 | G | 95.3 | Very high | 95.3 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 69% | 0.691 | 19% | 0.186 | S | C | * | . | S | Bend | trans | 61.4 | 27.2 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L253 S254 | L253-G258 PolarHBondContact O-N 3.32Å; S254-G258 WeakPolarHBondContact O-CA 3.41Å; S254-G258 PolarHBondContact O-N 2.9Å |
| 259 | R | 95.1 | Very high | 94.3 | Very high | 123 Ų | 123 | 33.9 Ų | 33.9 | 46% | 0.464 | 19% | 0.192 | S | C | . | . | trans | -113.3 | 131.3 | -177.2 | -65.5 | -54.7 | -170.5 | 172.4 | -4.6 | 110.9 | Y228 L234 L253 S254 C257 | Y228-R259 HydrophobicContact CE1-CG 4.34Å; Y228-R259 HydrophobicContact CE2-CG 4.08Å; Y228-R259 WeakPolarHBondContact OH-CG 3.29Å; Y228-R259 PolarHBondContact OH-NE 3.33Å; L234-R259 HydrophobicContact CD1-CB 4.44Å; L234-R259 HydrophobicContact CD2-CB 3.91Å; L253-R259 CarbonylContact C-O 3.6Å; L253-R259 PolarHBondContact O-N 2.9Å; S254-R259 VanDerWaalsContact CA-O 3.28Å; S254-R259 WeakPolarHBondContact CA-O 3.31Å; S254-R259 PolarHBondContact N-O 2.79Å; C257-R259 HydrophobicContact CB-CB 4.44Å; C257-R259 HydrophobicContact CB-CG 4.1Å; C257-R259 PolarHBondContact O-N 3.44Å | ||
| 260 | L | 95.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 38 Ų | 38 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | trans | -79.2 | 132 | 166.6 | -58 | 180 | 0 | 0 | 0 | 108.9 | Y262 | L260-Y262 HydrophobicContact CB-CE2 4.33Š| ||
| 261 | A | 97.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -121.9 | 151.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.4 | W224 L234 H250 L253 | W224-A261 HydrophobicContact CH2-CB 3.73Å; W224-A261 HydrophobicContact CZ2-CB 3.39Å; W224-A261 HydrophobicContact CZ3-CB 4.47Å; L234-A261 HydrophobicContact CD2-CB 4.06Å; L234-A261 CarbonylContact O-C 3.39Å; L234-A261 WeakPolarHBondContact O-CA 3.14Å; H250-A261 PolarHBondContact ND1-O 3.41Å; L253-A261 HydrophobicContact CB-CB 4.4Å; L253-A261 HydrophobicContact CD1-CB 3.48Å; L253-A261 VanDerWaalsContact CD1-CB 3.48Å | ||
| 262 | Y | 97.5 | Very high | 90.2 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138 | -168.7 | -55 | -84.3 | 0 | 0 | 0 | 111.8 | F55 L59 L66 V69 L234 L235 Q236 L260 | F55-Y262 CarbonylContact O-C 3.14Å; F55-Y262 VanDerWaalsContact O-CA 3.32Å; F55-Y262 WeakPolarHBondContact O-CA 3.32Å; L59-Y262 HydrophobicContact CD1-CD1 3.43Å; L59-Y262 VanDerWaalsContact CD1-CD1 3.43Å; L59-Y262 HydrophobicContact CD1-CE1 3.67Å; L59-Y262 HydrophobicContact CD1-CG 4.13Å; L59-Y262 HydrophobicContact CD2-CD1 3.77Å; L59-Y262 HydrophobicContact CD2-CG 4.06Å; L59-Y262 HydrophobicContact CG-CD1 4.08Å; L66-Y262 HydrophobicContact CD2-CD2 4.16Å; L66-Y262 HydrophobicContact CD2-CG 4.17Å; V69-Y262 HydrophobicContact CG1-CD2 3.97Å; V69-Y262 HydrophobicContact CG1-CE2 3.68Å; L234-Y262 PolarHBondContact O-N 3.03Å; L235-Y262 WeakPolarHBondContact CA-O 3.36Å; L235-Y262 HydrophobicContact CD2-CD2 4.15Å; L235-Y262 HydrophobicContact CD2-CG 4.37Å; Q236-Y262 PolarHBondContact N-O 2.99Å; L260-Y262 HydrophobicContact CB-CE2 4.33Å |
| 263 | G | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T54 F55 Q236 | T54-G263 CarbonylContact C-O 3.57Å; T54-G263 VanDerWaalsContact CA-O 3.31Å; T54-G263 WeakPolarHBondContact CA-O 3.42Å; F55-G263 PolarHBondContact N-O 3.44Å; F55-G263 PolarHBondContact O-N 3.25Å; Q236-G263 CarbonylContact O-C 3.52Å; Q236-G263 WeakPolarHBondContact O-CA 3.39Å |
| 264 | L | 97.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 121.4 | 166.7 | -56.8 | -177 | 0 | 0 | 0 | 107.9 | V42 L45 V51 T54 L59 I73 Q236 L237 G238 | V42-L264 HydrophobicContact CG1-CD2 3.99Å; V42-L264 HydrophobicContact CG2-CD1 3.81Å; V42-L264 HydrophobicContact CG2-CD2 4.2Å; L45-L264 HydrophobicContact CD1-CD1 4.43Å; V51-L264 HydrophobicContact CG2-CB 4.04Å; T54-L264 HydrophobicContact CG2-CD2 4.12Å; L59-L264 HydrophobicContact CD2-CD2 4.3Å; I73-L264 HydrophobicContact CD1-CD1 3.87Å; Q236-L264 PolarHBondContact O-N 3.45Å; L237-L264 WeakPolarHBondContact CA-O 3.48Å; L237-L264 HydrophobicContact CD1-CB 3.84Å; G238-L264 PolarHBondContact N-O 3.02Å |
| 265 | L | 96.5 | Very high | 85.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.6 | -171.6 | -63.5 | -53.8 | 0 | 0 | 0 | 110 | V51 S52 S53 F55 G238 I240 I246 | V51-L265 CarbonylContact C-O 3.58Å; V51-L265 WeakPolarHBondContact CA-O 3.43Å; S52-L265 PolarHBondContact N-O 3.11Å; S52-L265 PolarHBondContact OG-O 3.42Å; S53-L265 WeakPolarHBondContact O-CB 3.41Å; S53-L265 PolarHBondContact O-N 2.92Å; F55-L265 HydrophobicContact CB-CD2 4.27Å; G238-L265 CarbonylContact O-C 3.54Å; G238-L265 VanDerWaalsContact O-CA 3.3Å; G238-L265 WeakPolarHBondContact O-CA 3.5Å; I240-L265 HydrophobicContact CD1-CB 4.03Å; I240-L265 HydrophobicContact CD1-CG 4.29Å; I246-L265 HydrophobicContact CD1-CD1 3.27Å |
| 266 | V | 94.4 | Very high | 84 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 141.3 | 172.8 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | L50 L90 V91 L237 G238 I240 | L50-V266 VanDerWaalsContact O-CA 3.27Å; L50-V266 WeakPolarHBondContact O-CA 3.32Å; L50-V266 WeakPolarHBondContact O-CB 3.24Å; L50-V266 WeakPolarHBondContact O-CG1 3.28Å; L90-V266 HydrophobicContact CD2-CB 4.25Å; L90-V266 HydrophobicContact CD2-CG2 4.19Å; V91-V266 HydrophobicContact CG2-CG2 3.97Å; L237-V266 HydrophobicContact CD1-CG1 3.72Å; L237-V266 HydrophobicContact CG-CG1 4.18Å; G238-V266 PolarHBondContact O-N 2.64Å; I240-V266 PolarHBondContact N-O 3.13Å |
| 267 | P | 89.8 | Confident | 82.5 | Confident | 29 Ų | 29 | 48.1 Ų | 48.1 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | trans | -66.6 | 154.9 | 179.9 | 27.4 | -34.8 | 0 | 0 | 0 | 111.6 | G49 L50 L269 | G49-P267 WeakPolarHBondContact O-CG 3.49Å; L50-P267 WeakPolarHBondContact O-CD 3.19Å; P267-L269 HydrophobicContact CG-CD2 4.28Å; P267-L269 PolarHBondContact O-N 3.42Å; P267-L269 VanDerWaalsContact O-N 3.14Å | ||
| 268 | L | 82.6 | Confident | 80.6 | Confident | 78 Ų | 78 | 46.1 Ų | 46.1 | 41% | 0.408 | 27% | 0.269 | S | S | . | . | trans | -67.7 | 109.1 | 157.5 | -68.6 | 173.1 | 0 | 0 | 0 | 107.2 | I240 L270 | I240-L268 HydrophobicContact CG2-CD1 4.08Å; I240-L268 HydrophobicContact CG2-CG 3.68Å; L268-L270 PolarHBondContact O-N 3.37Å | ||
| 269 | L | 74.9 | Confident | 78.7 | Confident | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | trans | -70.3 | 127.5 | 173.6 | -70.4 | -180 | 0 | 0 | 0 | 109 | L90 P267 L277 F316 | L90-L269 HydrophobicContact CD1-CD1 3.82Å; L90-L269 HydrophobicContact CD2-CD1 3.47Å; L90-L269 VanDerWaalsContact CD2-CD1 3.47Å; L90-L269 HydrophobicContact CD2-CG 3.7Å; L90-L269 HydrophobicContact CG-CD1 4.14Å; P267-L269 HydrophobicContact CG-CD2 4.28Å; P267-L269 PolarHBondContact O-N 3.42Å; P267-L269 VanDerWaalsContact O-N 3.14Å; L269-L277 HydrophobicContact CB-CB 4.41Å; L269-L277 HydrophobicContact CB-CD1 3.18Å; L269-L277 HydrophobicContact CB-CD2 4.01Å; L269-L277 HydrophobicContact CB-CG 3.24Å; L269-L277 HydrophobicContact CD1-CD1 3.32Å; L269-L277 HydrophobicContact CD1-CG 4.35Å; L269-L277 HydrophobicContact CG-CD1 3.85Å; L269-L277 HydrophobicContact CG-CG 4.41Å; L269-L277 WeakPolarHBondContact O-CG 3.34Å; L269-L277 PolarHBondContact O-N 2.99Å; L269-F316 HydrophobicContact CD1-CE2 3.61Å; L269-F316 HydrophobicContact CD1-CZ 3.82Å | ||
| 270 | L | 72.4 | Confident | 76.4 | Confident | 88 Ų | 88 | 44.9 Ų | 44.9 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | B | Isolated β-bridge | trans | -113.9 | 145.6 | 178.9 | -56.5 | 178.1 | 0 | 0 | 0 | 109.2 | L268 E275 K276 | L268-L270 PolarHBondContact O-N 3.37Å; L270-E275 CarbonylContact C-O 3.59Å; L270-E275 VanDerWaalsContact CA-O 3.24Å; L270-E275 WeakPolarHBondContact CA-O 3.13Å; L270-K276 HydrophobicContact CD2-CG 4.22Å |
| 271 | S | 65.7 | Low | 74.1 | Confident | 11 Ų | 11 | 45.2 Ų | 45.2 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | trans | -67.5 | 169.8 | 167.4 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | T273 G274 E275 | S271-T273 PolarHBondContact O-N 3.08Å; S271-T273 VanDerWaalsContact O-N 3.14Å; S271-T273 PolarHBondContact OG-N 3.5Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; S271-G274 PolarHBondContact O-N 2.75Å; S271-G274 PolarHBondContact OG-N 3.41Å; S271-E275 PolarHBondContact N-O 3.5Å; S271-E275 WeakPolarHBondContact OG-CB 3.41Å; S271-E275 PolarHBondContact OG-N 2.9Å; S271-E275 PolarHBondContact OG-O 3.24Å | ||
| 272 | S | 64.2 | Low | 72 | Confident | 95 Ų | 95 | 48.6 Ų | 48.6 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -24.7 | 169.6 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | G274 E308 | S272-G274 VanDerWaalsContact C-N 3.33Å; S272-E308 WeakPolarHBondContact CB-OE1 3.3Å; S272-E308 PolarHBondContact N-OE1 2.95Å; S272-E308 PolarHBondContact OG-OE1 3.35Å |
| 273 | T | 63.3 | Low | 70.5 | Confident | 100 Ų | 100 | 52.8 Ų | 52.8 | 61% | 0.613 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1.3 | 174.8 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | S271 E275 | S271-T273 PolarHBondContact O-N 3.08Å; S271-T273 VanDerWaalsContact O-N 3.14Å; S271-T273 PolarHBondContact OG-N 3.5Å; S271-T273 PolarHBondContact OG-OG1 2.92Å; T273-E275 VanDerWaalsContact C-N 3.33Å; T273-E275 PolarHBondContact OG1-OE2 3.07Å |
| 274 | G | 62 | Low | 69.8 | Low | 46 Ų | 46 | 54.9 Ų | 54.9 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 81.4 | 5.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S271 S272 | S271-G274 PolarHBondContact O-N 2.75Å; S271-G274 PolarHBondContact OG-N 3.41Å; S272-G274 VanDerWaalsContact C-N 3.33Å |
| 275 | E | 64.2 | Low | 69.5 | Low | 89 Ų | 89 | 55.3 Ų | 55.3 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 145.4 | 177.8 | -61.8 | 176.1 | 136.2 | 0 | 0 | 111 | L270 S271 T273 S280 | L270-E275 CarbonylContact C-O 3.59Å; L270-E275 VanDerWaalsContact CA-O 3.24Å; L270-E275 WeakPolarHBondContact CA-O 3.13Å; S271-E275 PolarHBondContact N-O 3.5Å; S271-E275 WeakPolarHBondContact OG-CB 3.41Å; S271-E275 PolarHBondContact OG-N 2.9Å; S271-E275 PolarHBondContact OG-O 3.24Å; T273-E275 VanDerWaalsContact C-N 3.33Å; T273-E275 PolarHBondContact OG1-OE2 3.07Å; E275-S280 WeakPolarHBondContact OE2-CA 3.49Å |
| 276 | K | 66.9 | Low | 69.4 | Low | 93 Ų | 93 | 57.5 Ų | 57.5 | 40% | 0.404 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -58.6 | 143.5 | 173.6 | -67.2 | -172.9 | 179 | -174.2 | 0 | 110.6 | L270 K279 | L270-K276 HydrophobicContact CD2-CG 4.22Å; K276-K279 HydrophobicContact CB-CD 4.46Å; K276-K279 WeakPolarHBondContact O-CB 3.4Å; K276-K279 PolarHBondContact O-N 2.67Å; K276-K279 VanDerWaalsContact O-N 3.12Å |
| 277 | L | 65.1 | Low | 69.6 | Low | 23 Ų | 23 | 57.5 Ų | 57.5 | 12% | 0.12 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 144.2 | 177.8 | -79.7 | -165 | 0 | 0 | 0 | 114.7 | I86 L269 K279 Y312 F316 | I86-L277 HydrophobicContact CD1-CD1 4.22Å; I86-L277 HydrophobicContact CG1-CD1 4.39Å; I86-L277 HydrophobicContact CG2-CB 3.95Å; L269-L277 HydrophobicContact CB-CB 4.41Å; L269-L277 HydrophobicContact CB-CD1 3.18Å; L269-L277 HydrophobicContact CB-CD2 4.01Å; L269-L277 HydrophobicContact CB-CG 3.24Å; L269-L277 HydrophobicContact CD1-CD1 3.32Å; L269-L277 HydrophobicContact CD1-CG 4.35Å; L269-L277 HydrophobicContact CG-CD1 3.85Å; L269-L277 HydrophobicContact CG-CG 4.41Å; L269-L277 WeakPolarHBondContact O-CG 3.34Å; L269-L277 PolarHBondContact O-N 2.99Å; L277-K279 PolarHBondContact O-N 3.12Å; L277-Y312 HydrophobicContact CD2-CE1 3.81Å; L277-Y312 HydrophobicContact CD2-CE2 3.94Å; L277-Y312 WeakPolarHBondContact CD2-OH 3.39Å; L277-F316 HydrophobicContact CD1-CE2 4.1Å; L277-F316 HydrophobicContact CD1-CZ 3.95Å |
| 278 | G | 55.5 | Low | 69.9 | Low | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 17 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T283 T284 Y300 | G278-T283 CarbonylContact O-C 3.44Å; G278-T284 WeakPolarHBondContact O-CA 3.45Å; G278-T284 PolarHBondContact O-N 2.97Å; G278-Y300 PolarHBondContact N-OH 3.21Å |
| 279 | K | 54.8 | Low | 70.5 | Confident | 107 Ų | 107 | 55.2 Ų | 55.2 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | trans | -115.9 | 3.5 | 171.5 | -62.5 | -167 | 177.1 | -170.9 | 0 | 114.3 | K276 L277 S281 G282 | K276-K279 HydrophobicContact CB-CD 4.46Å; K276-K279 WeakPolarHBondContact O-CB 3.4Å; K276-K279 PolarHBondContact O-N 2.67Å; K276-K279 VanDerWaalsContact O-N 3.12Å; L277-K279 PolarHBondContact O-N 3.12Å; K279-S281 PolarHBondContact O-N 2.81Å; K279-G282 PolarHBondContact O-N 3.46Å | ||
| 280 | S | 46.4 | Very low | 71.4 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 3.5 | -176.4 | 44.4 | 0 | 0 | 0 | 0 | 116 | E275 | E275-S280 WeakPolarHBondContact OE2-CA 3.49Š|
| 281 | S | 48.2 | Very low | 72.4 | Confident | 96 Ų | 96 | 59.9 Ų | 59.9 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147 | 28.4 | 167.7 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | K279 T283 | K279-S281 PolarHBondContact O-N 2.81Å; S281-T283 PolarHBondContact O-N 2.94Å |
| 282 | G | 53 | Low | 73.8 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 73% | 0.732 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 75.3 | -4.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K279 | K279-G282 PolarHBondContact O-N 3.46Š|
| 283 | T | 66.1 | Low | 75.4 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 60% | 0.595 | 34% | 0.335 | S | S | * | . | trans | -119.3 | 113.8 | -171.8 | -52 | 0 | 0 | 0 | 0 | 112.2 | G278 S281 L285 | G278-T283 CarbonylContact O-C 3.44Å; S281-T283 PolarHBondContact O-N 2.94Å; T283-L285 PolarHBondContact O-N 2.86Å | ||
| 284 | T | 82.5 | Confident | 77 | Confident | 44 Ų | 44 | 51.2 Ų | 51.2 | 27% | 0.27 | 31% | 0.308 | S | S | . | . | trans | -50.4 | 124.7 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 111.5 | H85 G278 W286 | H85-T284 HydrophobicContact CB-CG2 3.63Å; G278-T284 WeakPolarHBondContact O-CA 3.45Å; G278-T284 PolarHBondContact O-N 2.97Å; T284-W286 HydrophobicContact CG2-CD2 4.07Å; T284-W286 HydrophobicContact CG2-CH2 4.41Å; T284-W286 HydrophobicContact CG2-CZ2 3.95Å; T284-W286 PolarHBondContact O-N 3.27Å; T284-W286 PolarHBondContact O-NE1 3.34Å | ||
| 285 | L | 91.2 | Very high | 78.7 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | trans | -76.5 | 107 | 171.8 | -163.6 | 79.8 | 0 | 0 | 0 | 110 | H85 I86 T283 T292 F297 Y300 F301 | H85-L285 VanDerWaalsContact CA-O 3.31Å; H85-L285 WeakPolarHBondContact CA-O 3.43Å; H85-L285 WeakPolarHBondContact CB-O 3.31Å; I86-L285 HydrophobicContact CB-CB 4.37Å; I86-L285 HydrophobicContact CB-CD2 4.36Å; I86-L285 HydrophobicContact CD1-CD2 4.01Å; I86-L285 HydrophobicContact CG2-CB 4.39Å; I86-L285 PolarHBondContact N-O 3.04Å; T283-L285 PolarHBondContact O-N 2.86Å; L285-T292 HydrophobicContact CD1-CG2 3.57Å; L285-T292 HydrophobicContact CG-CG2 4.25Å; L285-F297 HydrophobicContact CD1-CD2 4.41Å; L285-F297 HydrophobicContact CD2-CD2 3.79Å; L285-F297 HydrophobicContact CD2-CE2 3.79Å; L285-F297 HydrophobicContact CG-CD2 3.98Å; L285-F297 HydrophobicContact CG-CE2 4.31Å; L285-Y300 HydrophobicContact CD1-CD1 4.39Å; L285-Y300 HydrophobicContact CD1-CD2 4.23Å; L285-Y300 HydrophobicContact CD1-CG 3.9Å; L285-Y300 HydrophobicContact CD2-CD1 3.52Å; L285-Y300 HydrophobicContact CD2-CE1 3.94Å; L285-Y300 HydrophobicContact CD2-CG 3.91Å; L285-Y300 HydrophobicContact CG-CG 4.49Å; L285-F301 HydrophobicContact CD2-CE2 3.77Å; L285-F301 HydrophobicContact CD2-CZ 3.89Å | ||
| 286 | W | 95.2 | Very high | 80.2 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -89.9 | 155 | -179.6 | -60.6 | 95.1 | 0 | 0 | 0 | 111.1 | A81 S83 H85 T284 R291 T292 | A81-W286 HydrophobicContact CB-CH2 3.81Å; A81-W286 HydrophobicContact CB-CZ3 3.61Å; S83-W286 VanDerWaalsContact O-CE3 3.28Å; S83-W286 WeakPolarHBondContact O-CZ3 3.25Å; H85-W286 HydrophobicContact CB-CE3 4.24Å; T284-W286 HydrophobicContact CG2-CD2 4.07Å; T284-W286 HydrophobicContact CG2-CH2 4.41Å; T284-W286 HydrophobicContact CG2-CZ2 3.95Å; T284-W286 PolarHBondContact O-N 3.27Å; T284-W286 PolarHBondContact O-NE1 3.34Å; W286-R291 HydrophobicContact CB-CB 3.59Å; W286-R291 HydrophobicContact CG-CB 3.64Å; W286-R291 HydrophobicContact CG-CG 4.3Å; W286-R291 VanDerWaalsContact CZ2-NH1 3.33Å; W286-T292 PolarHBondContact N-OG1 3.06Å; W286-T292 VanDerWaalsContact O-CB 3.3Å; W286-T292 WeakPolarHBondContact O-CB 3.22Å |
| 287 | L | 97.5 | Very high | 81.6 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -86.7 | -15.6 | 176 | -54.6 | -168.2 | 0 | 0 | 0 | 112.5 | S83 L84 L89 I148 F297 V352 H353 | S83-L287 PolarHBondContact OG-N 2.75Å; L84-L287 HydrophobicContact CB-CD1 3.71Å; L84-L287 HydrophobicContact CB-CG 4.1Å; L84-L287 WeakPolarHBondContact O-CG 3.35Å; L84-L287 PolarHBondContact O-N 2.93Å; L89-L287 HydrophobicContact CB-CD1 4.08Å; L89-L287 HydrophobicContact CB-CD2 4.08Å; L89-L287 HydrophobicContact CD1-CD1 4.3Å; L89-L287 HydrophobicContact CD2-CD2 4.03Å; L89-L287 HydrophobicContact CG-CD2 4.49Å; I148-L287 HydrophobicContact CD1-CD1 3.88Å; L287-F297 HydrophobicContact CD2-CE2 3.81Å; L287-F297 HydrophobicContact CD2-CZ 4.41Å; L287-V352 HydrophobicContact CB-CG1 3.82Å; L287-V352 HydrophobicContact CD2-CG1 4.2Å; L287-V352 HydrophobicContact CD2-CG2 4.12Å; L287-V352 HydrophobicContact CG-CG1 4.49Å; L287-V352 VanDerWaalsContact O-CG1 3.29Å; L287-V352 WeakPolarHBondContact O-CG1 3.45Å; L287-H353 PolarHBondContact O-CE1 3.22Å |
| 288 | S | 96.4 | Very high | 83.2 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -77.4 | 128.9 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | S83 Q144 S290 R291 T292 | S83-S288 VanDerWaalsContact OG-CB 3.32Å; S83-S288 WeakPolarHBondContact OG-CB 3.37Å; S83-S288 PolarHBondContact OG-N 2.93Å; Q144-S288 VanDerWaalsContact NE2-CA 3.32Å; S288-S290 PolarHBondContact O-N 3.05Å; S288-S290 PolarHBondContact OG-N 3.3Å; S288-S290 PolarHBondContact OG-OG 3.4Å; S288-R291 PolarHBondContact O-N 3.26Å; S288-T292 PolarHBondContact O-N 3.01Å; S288-T292 VanDerWaalsContact O-O 3.06Å |
| 289 | P | 95.5 | Very high | 85.1 | Confident | 42 Ų | 42 | 42.8 Ų | 42.8 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13.2 | 174.3 | 27.7 | -35.1 | 0 | 0 | 0 | 113.9 | T292 | P289-T292 VanDerWaalsContact CA-O 3.28Å; P289-T292 WeakPolarHBondContact CA-O 3.49Å |
| 290 | S | 93.2 | Very high | 86.9 | Confident | 97 Ų | 97 | 39.5 Ų | 39.5 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -23.6 | 173.8 | 62.5 | 0 | 0 | 0 | 0 | 113.7 | S288 | S288-S290 PolarHBondContact O-N 3.05Å; S288-S290 PolarHBondContact OG-N 3.3Å; S288-S290 PolarHBondContact OG-OG 3.4Å |
| 291 | R | 93.4 | Very high | 89.2 | Confident | 111 Ų | 111 | 36.8 Ų | 36.8 | 42% | 0.419 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -33.4 | 179.4 | -70.6 | -164.3 | 176.2 | -144.6 | -0.6 | 112.9 | D82 W286 S288 | D82-R291 VanDerWaalsContact CG-NE 3.34Å; D82-R291 WeakPolarHBondContact OD1-CD 3.49Å; D82-R291 IonicContact OD1-CZ 2.64Å; D82-R291 IonicContact OD1-NE 2.82Å; D82-R291 PolarHBondContact OD1-NE 2.86Å; D82-R291 IonicContact OD1-NH2 3.45Å; D82-R291 PolarHBondContact OD1-NH2 2.92Å; D82-R291 IonicContact OD2-CZ 3.22Å; D82-R291 IonicContact OD2-NE 2.69Å; D82-R291 PolarHBondContact OD2-NE 3.14Å; D82-R291 IonicContact OD2-NH2 3.81Å; D82-R291 PolarHBondContact OD2-NH2 2.92Å; W286-R291 HydrophobicContact CB-CB 3.59Å; W286-R291 HydrophobicContact CG-CB 3.64Å; W286-R291 HydrophobicContact CG-CG 4.3Å; W286-R291 VanDerWaalsContact CZ2-NH1 3.33Å; S288-R291 PolarHBondContact O-N 3.26Å |
| 292 | T | 95.1 | Very high | 91.4 | Very high | 8 Ų | 8 | 34 Ų | 34 | 5% | 0.049 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -138.3 | 106.4 | 173.8 | -58 | 0 | 0 | 0 | 0 | 106.1 | L285 W286 S288 P289 V296 F297 | L285-T292 HydrophobicContact CD1-CG2 3.57Å; L285-T292 HydrophobicContact CG-CG2 4.25Å; W286-T292 PolarHBondContact N-OG1 3.06Å; W286-T292 VanDerWaalsContact O-CB 3.3Å; W286-T292 WeakPolarHBondContact O-CB 3.22Å; S288-T292 PolarHBondContact O-N 3.01Å; S288-T292 VanDerWaalsContact O-O 3.06Å; P289-T292 VanDerWaalsContact CA-O 3.28Å; P289-T292 WeakPolarHBondContact CA-O 3.49Å; T292-V296 HydrophobicContact CG2-CB 4.1Å; T292-V296 HydrophobicContact CG2-CG1 3.88Å; T292-F297 HydrophobicContact CG2-CB 3.91Å; T292-F297 HydrophobicContact CG2-CD2 4.4Å |
| 293 | S | 97 | Very high | 93.3 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -58.5 | 161.8 | 177.7 | 64.1 | 0 | 0 | 0 | 0 | 111.5 | Y295 V296 F297 E390 | S293-Y295 PolarHBondContact O-N 3.13Å; S293-V296 PolarHBondContact O-N 3.33Å; S293-V296 WeakPolarHBondContact OG-CB 3.43Å; S293-V296 VanDerWaalsContact OG-CG2 3.24Å; S293-V296 WeakPolarHBondContact OG-CG2 3.47Å; S293-V296 PolarHBondContact OG-N 3.44Å; S293-V296 VanDerWaalsContact OG-N 3.15Å; S293-F297 WeakPolarHBondContact O-CB 3.42Å; S293-F297 PolarHBondContact O-N 2.92Å; S293-E390 WeakPolarHBondContact CB-O 3.47Å; S293-E390 WeakPolarHBondContact CB-OE2 3.27Å; S293-E390 PolarHBondContact OG-O 3.06Å | ||
| 294 | S | 98 | Very high | 94.5 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | -178.8 | -44.4 | 0 | 0 | 0 | 0 | 110.8 | Y298 G357 A361 E390 | S294-Y298 VanDerWaalsContact O-CB 3.25Å; S294-Y298 WeakPolarHBondContact O-CB 3.48Å; S294-Y298 PolarHBondContact O-N 3.27Å; S294-G357 WeakPolarHBondContact CB-O 3.46Å; S294-G357 WeakPolarHBondContact OG-CA 3.33Å; S294-A361 WeakPolarHBondContact O-CB 3.49Å; S294-E390 WeakPolarHBondContact CA-OE2 3.29Å; S294-E390 WeakPolarHBondContact CB-OE2 3.38Å; S294-E390 PolarHBondContact N-OE2 3.31Å |
| 295 | Y | 97.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.1 | -50.8 | 173.1 | 168.2 | -103.9 | 0 | 0 | 0 | 112.6 | S293 F297 Y298 Q299 V364 L368 H369 E390 V391 | S293-Y295 PolarHBondContact O-N 3.13Å; Y295-F297 VanDerWaalsContact C-N 3.29Å; Y295-F297 PolarHBondContact O-N 3.22Å; Y295-Y298 PolarHBondContact O-N 3.4Å; Y295-Q299 HydrophobicContact CD2-CG 3.74Å; Y295-Q299 HydrophobicContact CE1-CG 4.21Å; Y295-Q299 HydrophobicContact CE2-CG 3.3Å; Y295-Q299 HydrophobicContact CG-CG 4.37Å; Y295-Q299 WeakPolarHBondContact O-CB 3.32Å; Y295-Q299 VanDerWaalsContact O-CG 3.31Å; Y295-Q299 WeakPolarHBondContact O-CG 3.36Å; Y295-Q299 PolarHBondContact O-N 2.97Å; Y295-V364 HydrophobicContact CD1-CG1 4.16Å; Y295-V364 HydrophobicContact CD2-CB 3.77Å; Y295-V364 HydrophobicContact CD2-CG1 3.39Å; Y295-V364 HydrophobicContact CE2-CB 4.45Å; Y295-V364 HydrophobicContact CE2-CG1 3.78Å; Y295-V364 HydrophobicContact CG-CB 4.13Å; Y295-V364 HydrophobicContact CG-CG1 3.59Å; Y295-L368 HydrophobicContact CE1-CD1 4.24Å; Y295-L368 HydrophobicContact CE2-CD1 4.09Å; Y295-L368 WeakPolarHBondContact OH-CD1 3.36Å; Y295-H369 AromaticContact CZ-NE2 3.98Å; Y295-H369 PolarHBondContact OH-NE2 3.46Å; Y295-E390 WeakPolarHBondContact CD1-O 3.28Å; Y295-E390 PolarHBondContact N-OE2 2.87Å; Y295-V391 HydrophobicContact CD1-CG2 4.08Å; Y295-V391 HydrophobicContact CE1-CG1 4.35Å; Y295-V391 HydrophobicContact CE1-CG2 4.07Å |
| 296 | V | 95.7 | Very high | 94.8 | Very high | 48 Ų | 48 | 31.1 Ų | 31.1 | 29% | 0.291 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.5 | -40.4 | -179.7 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | T292 S293 Q299 Y300 P392 | T292-V296 HydrophobicContact CG2-CB 4.1Å; T292-V296 HydrophobicContact CG2-CG1 3.88Å; S293-V296 PolarHBondContact O-N 3.33Å; S293-V296 WeakPolarHBondContact OG-CB 3.43Å; S293-V296 VanDerWaalsContact OG-CG2 3.24Å; S293-V296 WeakPolarHBondContact OG-CG2 3.47Å; S293-V296 PolarHBondContact OG-N 3.44Å; S293-V296 VanDerWaalsContact OG-N 3.15Å; V296-Q299 PolarHBondContact O-N 3.04Å; V296-Y300 WeakPolarHBondContact O-CB 3.31Å; V296-Y300 PolarHBondContact O-N 2.97Å; V296-P392 HydrophobicContact CG2-CG 4.03Å |
| 297 | F | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.2 | -50.9 | 175.3 | -172.1 | -87 | 0 | 0 | 0 | 111.6 | L89 L285 L287 T292 S293 Y295 Q299 Y300 F301 L348 V352 H353 | L89-F297 HydrophobicContact CD2-CZ 3.95Å; L285-F297 HydrophobicContact CD1-CD2 4.41Å; L285-F297 HydrophobicContact CD2-CD2 3.79Å; L285-F297 HydrophobicContact CD2-CE2 3.79Å; L285-F297 HydrophobicContact CG-CD2 3.98Å; L285-F297 HydrophobicContact CG-CE2 4.31Å; L287-F297 HydrophobicContact CD2-CE2 3.81Å; L287-F297 HydrophobicContact CD2-CZ 4.41Å; T292-F297 HydrophobicContact CG2-CB 3.91Å; T292-F297 HydrophobicContact CG2-CD2 4.4Å; S293-F297 WeakPolarHBondContact O-CB 3.42Å; S293-F297 PolarHBondContact O-N 2.92Å; Y295-F297 VanDerWaalsContact C-N 3.29Å; Y295-F297 PolarHBondContact O-N 3.22Å; F297-Q299 PolarHBondContact O-N 3.13Å; F297-Y300 WeakPolarHBondContact O-CB 3.47Å; F297-Y300 PolarHBondContact O-N 3.34Å; F297-F301 HydrophobicContact CD1-CD2 4.17Å; F297-F301 AromaticContact CD1-CE2 3.92Å; F297-F301 HydrophobicContact CD1-CE2 3.92Å; F297-F301 HydrophobicContact CD2-CE2 4.31Å; F297-F301 AromaticContact CE1-CD2 3.94Å; F297-F301 HydrophobicContact CE1-CD2 3.94Å; F297-F301 AromaticContact CE1-CE2 3.42Å; F297-F301 HydrophobicContact CE1-CE2 3.42Å; F297-F301 VanDerWaalsContact CE1-CE2 3.42Å; F297-F301 HydrophobicContact CE1-CZ 4.44Å; F297-F301 AromaticContact CE2-CE2 3.86Å; F297-F301 HydrophobicContact CE2-CE2 3.86Å; F297-F301 HydrophobicContact CE2-CZ 4.49Å; F297-F301 HydrophobicContact CG-CE2 4.34Å; F297-F301 HydrophobicContact CZ-CD2 4.35Å; F297-F301 AromaticContact CZ-CE2 3.4Å; F297-F301 HydrophobicContact CZ-CE2 3.4Å; F297-F301 HydrophobicContact CZ-CZ 4.07Å; F297-F301 VanDerWaalsContact O-CD2 3.24Å; F297-F301 WeakPolarHBondContact O-CD2 3.28Å; F297-L348 HydrophobicContact CE1-CB 3.83Å; F297-L348 HydrophobicContact CZ-CB 4.23Å; F297-V352 HydrophobicContact CE1-CB 4.35Å; F297-V352 HydrophobicContact CE1-CG2 4.29Å; F297-V352 HydrophobicContact CE2-CG1 4.45Å; F297-V352 HydrophobicContact CE2-CG2 4.34Å; F297-V352 HydrophobicContact CZ-CB 4.11Å; F297-V352 HydrophobicContact CZ-CG1 4.44Å; F297-V352 HydrophobicContact CZ-CG2 3.71Å; F297-H353 WeakPolarHBondContact CB-NE2 3.47Å; F297-H353 AromaticContact CD1-CD2 3.9Å; F297-H353 AromaticContact CD1-NE2 3.92Å; F297-H353 AromaticContact CD2-NE2 3.76Å; F297-H353 AromaticContact CG-CD2 3.89Å; F297-H353 AromaticContact CG-NE2 3.43Å; F297-H353 WeakPolarHBondContact CG-NE2 3.5Å |
| 298 | Y | 97.7 | Very high | 94 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.2 | -49.7 | 176.5 | 179.2 | -85 | 0 | 0 | 0 | 111.7 | S294 Y295 Y300 F301 F302 A345 E346 L358 A361 L362 T365 | S294-Y298 VanDerWaalsContact O-CB 3.25Å; S294-Y298 WeakPolarHBondContact O-CB 3.48Å; S294-Y298 PolarHBondContact O-N 3.27Å; Y295-Y298 PolarHBondContact O-N 3.4Å; Y298-Y300 VanDerWaalsContact C-N 3.28Å; Y298-Y300 PolarHBondContact O-N 3.42Å; Y298-F301 PolarHBondContact O-N 3.15Å; Y298-F302 HydrophobicContact CD1-CB 4.23Å; Y298-F302 HydrophobicContact CE1-CB 3.93Å; Y298-F302 HydrophobicContact CE1-CD2 4.23Å; Y298-F302 HydrophobicContact CE1-CG 4.06Å; Y298-F302 WeakPolarHBondContact O-CB 3.28Å; Y298-F302 PolarHBondContact O-N 2.93Å; Y298-A345 HydrophobicContact CD1-CB 4.38Å; Y298-A345 HydrophobicContact CD2-CB 3.65Å; Y298-A345 HydrophobicContact CE1-CB 4.3Å; Y298-A345 HydrophobicContact CE2-CB 3.56Å; Y298-A345 HydrophobicContact CG-CB 4.06Å; Y298-A345 WeakPolarHBondContact O-CB 3.47Å; Y298-E346 HydrophobicContact CE2-CG 3.81Å; Y298-L358 HydrophobicContact CD2-CD1 4.17Å; Y298-L358 HydrophobicContact CE2-CD1 4.23Å; Y298-A361 HydrophobicContact CD2-CB 4.38Å; Y298-A361 HydrophobicContact CG-CB 4.1Å; Y298-L362 HydrophobicContact CE2-CD2 3.76Å; Y298-T365 HydrophobicContact CE1-CG2 4.33Å |
| 299 | Q | 95.6 | Very high | 93.8 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -30.4 | -178.2 | -74.9 | -62.8 | -36.4 | 0 | 0 | 112.7 | Y295 V296 F297 F302 N303 T365 | Y295-Q299 HydrophobicContact CD2-CG 3.74Å; Y295-Q299 HydrophobicContact CE1-CG 4.21Å; Y295-Q299 HydrophobicContact CE2-CG 3.3Å; Y295-Q299 HydrophobicContact CG-CG 4.37Å; Y295-Q299 WeakPolarHBondContact O-CB 3.32Å; Y295-Q299 VanDerWaalsContact O-CG 3.31Å; Y295-Q299 WeakPolarHBondContact O-CG 3.36Å; Y295-Q299 PolarHBondContact O-N 2.97Å; V296-Q299 PolarHBondContact O-N 3.04Å; F297-Q299 PolarHBondContact O-N 3.13Å; Q299-F302 PolarHBondContact O-N 3.47Å; Q299-N303 WeakPolarHBondContact O-CB 3.3Å; Q299-N303 VanDerWaalsContact O-CG 3.29Å; Q299-N303 PolarHBondContact O-N 2.98Å; Q299-N303 PolarHBondContact O-ND2 3.41Å; Q299-N303 PolarHBondContact OE1-ND2 3.42Å; Q299-T365 PolarHBondContact NE2-OG1 2.89Å |
| 300 | Y | 93.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 32.1 Ų | 32.1 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.3 | -54.3 | 173.8 | 175.4 | -95.3 | 0 | 0 | 0 | 110.9 | I86 G278 L285 V296 F297 Y298 N303 Y312 | I86-Y300 HydrophobicContact CD1-CE1 3.81Å; G278-Y300 PolarHBondContact N-OH 3.21Å; L285-Y300 HydrophobicContact CD1-CD1 4.39Å; L285-Y300 HydrophobicContact CD1-CD2 4.23Å; L285-Y300 HydrophobicContact CD1-CG 3.9Å; L285-Y300 HydrophobicContact CD2-CD1 3.52Å; L285-Y300 HydrophobicContact CD2-CE1 3.94Å; L285-Y300 HydrophobicContact CD2-CG 3.91Å; L285-Y300 HydrophobicContact CG-CG 4.49Å; V296-Y300 WeakPolarHBondContact O-CB 3.31Å; V296-Y300 PolarHBondContact O-N 2.97Å; F297-Y300 WeakPolarHBondContact O-CB 3.47Å; F297-Y300 PolarHBondContact O-N 3.34Å; Y298-Y300 VanDerWaalsContact C-N 3.28Å; Y298-Y300 PolarHBondContact O-N 3.42Å; Y300-N303 PolarHBondContact O-N 3.35Å; Y300-Y312 HydrophobicContact CE1-CE2 4.3Å |
| 301 | F | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 179.1 | -65.1 | -73.2 | 0 | 0 | 0 | 112.3 | I86 L285 F297 Y298 N303 L304 Y312 L344 A345 L348 | I86-F301 HydrophobicContact CD1-CE1 3.75Å; I86-F301 HydrophobicContact CD1-CZ 3.57Å; I86-F301 HydrophobicContact CG1-CZ 4.3Å; L285-F301 HydrophobicContact CD2-CE2 3.77Å; L285-F301 HydrophobicContact CD2-CZ 3.89Å; F297-F301 HydrophobicContact CD1-CD2 4.17Å; F297-F301 AromaticContact CD1-CE2 3.92Å; F297-F301 HydrophobicContact CD1-CE2 3.92Å; F297-F301 HydrophobicContact CD2-CE2 4.31Å; F297-F301 AromaticContact CE1-CD2 3.94Å; F297-F301 HydrophobicContact CE1-CD2 3.94Å; F297-F301 AromaticContact CE1-CE2 3.42Å; F297-F301 HydrophobicContact CE1-CE2 3.42Å; F297-F301 VanDerWaalsContact CE1-CE2 3.42Å; F297-F301 HydrophobicContact CE1-CZ 4.44Å; F297-F301 AromaticContact CE2-CE2 3.86Å; F297-F301 HydrophobicContact CE2-CE2 3.86Å; F297-F301 HydrophobicContact CE2-CZ 4.49Å; F297-F301 HydrophobicContact CG-CE2 4.34Å; F297-F301 HydrophobicContact CZ-CD2 4.35Å; F297-F301 AromaticContact CZ-CE2 3.4Å; F297-F301 HydrophobicContact CZ-CE2 3.4Å; F297-F301 HydrophobicContact CZ-CZ 4.07Å; F297-F301 VanDerWaalsContact O-CD2 3.24Å; F297-F301 WeakPolarHBondContact O-CD2 3.28Å; Y298-F301 PolarHBondContact O-N 3.15Å; F301-N303 PolarHBondContact O-N 3.34Å; F301-L304 HydrophobicContact CD1-CD1 4.03Å; F301-L304 WeakPolarHBondContact O-CB 3.18Å; F301-L304 WeakPolarHBondContact O-CG 3.36Å; F301-L304 PolarHBondContact O-N 3.22Å; F301-Y312 HydrophobicContact CD1-CD2 4.13Å; F301-Y312 HydrophobicContact CE1-CD2 4Å; F301-Y312 HydrophobicContact CE1-CE2 4.39Å; F301-L344 HydrophobicContact CB-CD2 4.19Å; F301-L344 HydrophobicContact CB-CG 4.21Å; F301-L344 HydrophobicContact CD1-CD2 3.6Å; F301-L344 HydrophobicContact CD1-CG 3.83Å; F301-L344 HydrophobicContact CE1-CD2 4.46Å; F301-L344 HydrophobicContact CG-CD2 4.28Å; F301-L344 HydrophobicContact CG-CG 4.23Å; F301-A345 HydrophobicContact CB-CB 3.87Å; F301-L348 HydrophobicContact CD1-CD1 3.89Å; F301-L348 HydrophobicContact CD2-CD1 4.3Å; F301-L348 HydrophobicContact CE1-CD1 3.48Å; F301-L348 VanDerWaalsContact CE1-CD1 3.48Å; F301-L348 HydrophobicContact CE2-CB 4.36Å; F301-L348 HydrophobicContact CE2-CD1 3.99Å; F301-L348 HydrophobicContact CG-CD1 4.26Å; F301-L348 HydrophobicContact CZ-CD1 3.54Å |
| 302 | F | 95.4 | Very high | 93.4 | Very high | 38 Ų | 38 | 25.8 Ų | 25.8 | 17% | 0.167 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.7 | -30.4 | 179.6 | -169 | -105.1 | 0 | 0 | 0 | 112.5 | Y298 Q299 R338 Q341 R342 A345 | Y298-F302 HydrophobicContact CD1-CB 4.23Å; Y298-F302 HydrophobicContact CE1-CB 3.93Å; Y298-F302 HydrophobicContact CE1-CD2 4.23Å; Y298-F302 HydrophobicContact CE1-CG 4.06Å; Y298-F302 WeakPolarHBondContact O-CB 3.28Å; Y298-F302 PolarHBondContact O-N 2.93Å; Q299-F302 PolarHBondContact O-N 3.47Å; F302-R338 PolarHBondContact O-NH1 3.26Å; F302-Q341 HydrophobicContact CD2-CB 4.21Å; F302-Q341 WeakPolarHBondContact O-CB 3.48Å; F302-Q341 WeakPolarHBondContact O-CG 3.49Å; F302-R342 HydrophobicContact CE2-CB 4.22Å; F302-A345 HydrophobicContact CB-CB 4.12Å |
| 303 | N | 92.8 | Very high | 93.3 | Very high | 38 Ų | 38 | 25.4 Ų | 25.4 | 20% | 0.203 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -1.5 | -176.6 | -73.8 | -55.7 | 0 | 0 | 0 | 115 | Q299 Y300 F301 K463 | Q299-N303 WeakPolarHBondContact O-CB 3.3Å; Q299-N303 VanDerWaalsContact O-CG 3.29Å; Q299-N303 PolarHBondContact O-N 2.98Å; Q299-N303 PolarHBondContact O-ND2 3.41Å; Q299-N303 PolarHBondContact OE1-ND2 3.42Å; Y300-N303 PolarHBondContact O-N 3.35Å; F301-N303 PolarHBondContact O-N 3.34Å; N303-K463 HydrophobicContact CB-CD 4.13Å; N303-K463 PolarHBondContact O-NZ 3.4Å; N303-K463 VanDerWaalsContact O-NZ 3.16Å; N303-K463 VanDerWaalsContact OD1-CD 3.27Å; N303-K463 WeakPolarHBondContact OD1-CD 3.42Å; N303-K463 VanDerWaalsContact OD1-CE 3.23Å; N303-K463 WeakPolarHBondContact OD1-CE 3.14Å |
| 304 | L | 90.5 | Very high | 93 | Very high | 7 Ų | 7 | 30.2 Ų | 30.2 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -56.5 | 144.6 | 177.5 | -70.8 | 172.7 | 0 | 0 | 0 | 111.9 | F301 E308 A309 Y312 R338 Q341 L344 | F301-L304 HydrophobicContact CD1-CD1 4.03Å; F301-L304 WeakPolarHBondContact O-CB 3.18Å; F301-L304 WeakPolarHBondContact O-CG 3.36Å; F301-L304 PolarHBondContact O-N 3.22Å; L304-E308 HydrophobicContact CB-CB 4.48Å; L304-E308 HydrophobicContact CD2-CB 4.4Å; L304-A309 HydrophobicContact CB-CB 4.21Å; L304-Y312 HydrophobicContact CD1-CD2 3.47Å; L304-Y312 VanDerWaalsContact CD1-CD2 3.47Å; L304-Y312 HydrophobicContact CD1-CE2 3.62Å; L304-Y312 HydrophobicContact CD1-CG 4.1Å; L304-Y312 HydrophobicContact CD2-CE2 4Å; L304-Y312 HydrophobicContact CG-CE2 4.49Å; L304-R338 PolarHBondContact O-NH2 2.92Å; L304-Q341 PolarHBondContact O-NE2 3.39Å; L304-L344 HydrophobicContact CD1-CD2 3.75Å |
| 305 | P | 90.2 | Very high | 92.7 | Very high | 62 Ų | 62 | 30 Ų | 30 | 40% | 0.403 | 16% | 0.157 | S | C | . | . | trans | -56.6 | 151.7 | 164 | -21.2 | 32.5 | 0 | 0 | 0 | 111.3 | S307 E308 A309 | P305-S307 VanDerWaalsContact C-N 3.29Å; P305-S307 PolarHBondContact O-N 2.89Å; P305-E308 HydrophobicContact CB-CG 4.4Å; P305-E308 HydrophobicContact CG-CG 4.3Å; P305-E308 PolarHBondContact O-N 3.3Å; P305-E308 VanDerWaalsContact O-N 3.13Å; P305-A309 WeakPolarHBondContact O-CB 3.43Å; P305-A309 PolarHBondContact O-N 3.49Å | ||
| 306 | D | 90.1 | Very high | 92.5 | Very high | 52 Ų | 52 | 29.6 Ų | 29.6 | 28% | 0.278 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.7 | -38.2 | -174 | -56.5 | -18.5 | 0 | 0 | 0 | 112.4 | A309 L310 T331 P335 R338 Q341 | D306-A309 PolarHBondContact O-N 2.59Å; D306-L310 WeakPolarHBondContact O-CG 3.33Å; D306-L310 PolarHBondContact O-N 3.01Å; D306-T331 HydrophobicContact CB-CG2 4.37Å; D306-P335 WeakPolarHBondContact OD2-CB 3.24Å; D306-R338 IonicContact OD1-NH2 3.55Å; D306-Q341 PolarHBondContact OD1-NE2 3.44Å |
| 307 | S | 87 | Confident | 92.4 | Very high | 86 Ų | 86 | 27.3 Ų | 27.3 | 60% | 0.601 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -62.9 | -43.2 | 176 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | P305 L311 | P305-S307 VanDerWaalsContact C-N 3.29Å; P305-S307 PolarHBondContact O-N 2.89Å; S307-L311 PolarHBondContact O-N 2.77Å |
| 308 | E | 89 | Confident | 92.2 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.6 | -39.5 | 177 | -64.2 | -171.1 | -168.5 | 0 | 0 | 111.4 | S272 L304 P305 L310 L311 Y312 | S272-E308 WeakPolarHBondContact CB-OE1 3.3Å; S272-E308 PolarHBondContact N-OE1 2.95Å; S272-E308 PolarHBondContact OG-OE1 3.35Å; L304-E308 HydrophobicContact CB-CB 4.48Å; L304-E308 HydrophobicContact CD2-CB 4.4Å; P305-E308 HydrophobicContact CB-CG 4.4Å; P305-E308 HydrophobicContact CG-CG 4.3Å; P305-E308 PolarHBondContact O-N 3.3Å; P305-E308 VanDerWaalsContact O-N 3.13Å; E308-L310 PolarHBondContact O-N 3.19Å; E308-L311 PolarHBondContact O-N 3.3Å; E308-Y312 HydrophobicContact CB-CE1 4.34Å; E308-Y312 WeakPolarHBondContact O-CB 3.41Å; E308-Y312 WeakPolarHBondContact O-CD1 3.46Å; E308-Y312 PolarHBondContact O-N 3.23Å |
| 309 | A | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L304 P305 D306 Y312 C313 A340 Q341 | L304-A309 HydrophobicContact CB-CB 4.21Å; P305-A309 WeakPolarHBondContact O-CB 3.43Å; P305-A309 PolarHBondContact O-N 3.49Å; D306-A309 PolarHBondContact O-N 2.59Å; A309-Y312 PolarHBondContact O-N 3.27Å; A309-C313 WeakPolarHBondContact O-CB 3.48Å; A309-C313 PolarHBondContact O-N 3.28Å; A309-C313 PolarHBondContact O-SG 3.3Å; A309-A340 HydrophobicContact CB-CB 4.09Å; A309-Q341 HydrophobicContact CB-CG 3.72Å |
| 310 | L | 91.8 | Very high | 91.7 | Very high | 29 Ų | 29 | 30.7 Ų | 30.7 | 15% | 0.152 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.3 | -41.7 | 176.2 | -71 | 174.6 | 0 | 0 | 0 | 112.2 | D306 E308 Y312 C313 R314 L327 I328 T331 A340 | D306-L310 WeakPolarHBondContact O-CG 3.33Å; D306-L310 PolarHBondContact O-N 3.01Å; E308-L310 PolarHBondContact O-N 3.19Å; L310-Y312 VanDerWaalsContact C-N 3.3Å; L310-Y312 PolarHBondContact O-N 3.49Å; L310-C313 PolarHBondContact O-N 3.14Å; L310-R314 PolarHBondContact O-N 3.43Å; L310-R314 VanDerWaalsContact O-N 3.14Å; L310-L327 HydrophobicContact CD2-CG 4.28Å; L310-I328 HydrophobicContact CD1-CG1 4.45Å; L310-I328 HydrophobicContact CD2-CG1 3.95Å; L310-T331 HydrophobicContact CD1-CG2 4.18Å; L310-T331 HydrophobicContact CD2-CG2 4.45Å; L310-T331 HydrophobicContact CG-CG2 4.41Å; L310-A340 HydrophobicContact CD2-CB 3.94Å; L310-A340 HydrophobicContact CG-CB 4.47Å |
| 311 | L | 89.3 | Confident | 91.4 | Very high | 74 Ų | 74 | 33.3 Ų | 33.3 | 39% | 0.387 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -59 | -43.8 | 173.4 | 177.9 | 63.2 | 0 | 0 | 0 | 110.9 | S307 E308 R314 S315 | S307-L311 PolarHBondContact O-N 2.77Å; E308-L311 PolarHBondContact O-N 3.3Å; L311-R314 WeakPolarHBondContact O-CB 3.4Å; L311-R314 PolarHBondContact O-N 2.91Å; L311-S315 PolarHBondContact O-N 3.35Å; L311-S315 PolarHBondContact O-OG 2.66Å |
| 312 | Y | 91.5 | Very high | 91.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -73.9 | -31.2 | -178.6 | -75.5 | 32.2 | 0 | 0 | 0 | 111.8 | L277 Y300 F301 L304 E308 A309 L310 R314 S315 F316 L344 | L277-Y312 HydrophobicContact CD2-CE1 3.81Å; L277-Y312 HydrophobicContact CD2-CE2 3.94Å; L277-Y312 WeakPolarHBondContact CD2-OH 3.39Å; Y300-Y312 HydrophobicContact CE1-CE2 4.3Å; F301-Y312 HydrophobicContact CD1-CD2 4.13Å; F301-Y312 HydrophobicContact CE1-CD2 4Å; F301-Y312 HydrophobicContact CE1-CE2 4.39Å; L304-Y312 HydrophobicContact CD1-CD2 3.47Å; L304-Y312 VanDerWaalsContact CD1-CD2 3.47Å; L304-Y312 HydrophobicContact CD1-CE2 3.62Å; L304-Y312 HydrophobicContact CD1-CG 4.1Å; L304-Y312 HydrophobicContact CD2-CE2 4Å; L304-Y312 HydrophobicContact CG-CE2 4.49Å; E308-Y312 HydrophobicContact CB-CE1 4.34Å; E308-Y312 WeakPolarHBondContact O-CB 3.41Å; E308-Y312 WeakPolarHBondContact O-CD1 3.46Å; E308-Y312 PolarHBondContact O-N 3.23Å; A309-Y312 PolarHBondContact O-N 3.27Å; L310-Y312 VanDerWaalsContact C-N 3.3Å; L310-Y312 PolarHBondContact O-N 3.49Å; Y312-R314 VanDerWaalsContact C-N 3.32Å; Y312-R314 PolarHBondContact O-N 3.2Å; Y312-S315 PolarHBondContact O-N 2.62Å; Y312-F316 HydrophobicContact CD2-CD2 4.24Å; Y312-F316 HydrophobicContact CD2-CE2 4.06Å; Y312-F316 HydrophobicContact CG-CD2 4.15Å; Y312-F316 HydrophobicContact CG-CE2 4.16Å; Y312-F316 WeakPolarHBondContact O-CB 3.25Å; Y312-F316 PolarHBondContact O-N 2.95Å; Y312-L344 VanDerWaalsContact CB-CD2 3.45Å; Y312-L344 HydrophobicContact CD2-CD2 4.13Å; Y312-L344 HydrophobicContact CG-CD2 4.28Å |
| 313 | C | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 170.5 | -72 | 0 | 0 | 0 | 0 | 110.8 | A309 L310 S315 S317 M324 L327 | A309-C313 WeakPolarHBondContact O-CB 3.48Å; A309-C313 PolarHBondContact O-N 3.28Å; A309-C313 PolarHBondContact O-SG 3.3Å; L310-C313 PolarHBondContact O-N 3.14Å; C313-S315 VanDerWaalsContact C-N 3.25Å; C313-S315 PolarHBondContact O-N 2.87Å; C313-S317 VanDerWaalsContact O-CB 3.24Å; C313-S317 WeakPolarHBondContact O-CB 3.42Å; C313-S317 PolarHBondContact O-N 3.45Å; C313-S317 PolarHBondContact O-OG 2.97Å; C313-M324 HydrophobicContact CB-CE 3.6Å; C313-M324 HydrophobicContact CB-SD 3.84Å; C313-L327 HydrophobicContact CB-CD2 4.23Å |
| 314 | R | 91.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 42% | 0.415 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.5 | -39.4 | 175.6 | -70.4 | -174.2 | 174.5 | 144.1 | -4.8 | 112.4 | R97 L310 L311 Y312 M324 | R97-R314 PolarHBondContact NH2-O 3.39Å; L310-R314 PolarHBondContact O-N 3.43Å; L310-R314 VanDerWaalsContact O-N 3.14Å; L311-R314 WeakPolarHBondContact O-CB 3.4Å; L311-R314 PolarHBondContact O-N 2.91Å; Y312-R314 VanDerWaalsContact C-N 3.32Å; Y312-R314 PolarHBondContact O-N 3.2Å; R314-M324 HydrophobicContact CB-CE 4.38Å; R314-M324 HydrophobicContact CG-CE 3.53Å |
| 315 | S | 91.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -81.9 | -55.1 | -174.9 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | R97 L311 Y312 C313 | R97-S315 PolarHBondContact NH2-O 3.14Å; L311-S315 PolarHBondContact O-N 3.35Å; L311-S315 PolarHBondContact O-OG 2.66Å; Y312-S315 PolarHBondContact O-N 2.62Å; C313-S315 VanDerWaalsContact C-N 3.25Å; C313-S315 PolarHBondContact O-N 2.87Å |
| 316 | F | 94 | Very high | 91.5 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -98 | -28.8 | -166.8 | -68.6 | -84.1 | 0 | 0 | 0 | 114.6 | I86 L89 L90 L269 L277 Y312 L344 L348 | I86-F316 HydrophobicContact CD1-CZ 4.23Å; I86-F316 HydrophobicContact CG1-CE1 4.1Å; I86-F316 HydrophobicContact CG1-CZ 3.81Å; L89-F316 HydrophobicContact CB-CE1 4.28Å; L89-F316 HydrophobicContact CD2-CD1 4.42Å; L89-F316 HydrophobicContact CD2-CE1 4.42Å; L89-F316 HydrophobicContact CG-CD1 4.23Å; L89-F316 HydrophobicContact CG-CE1 4.2Å; L90-F316 HydrophobicContact CB-CE1 3.73Å; L90-F316 HydrophobicContact CB-CZ 3.95Å; L90-F316 HydrophobicContact CD1-CD1 4.33Å; L90-F316 HydrophobicContact CD1-CE1 4.07Å; L90-F316 HydrophobicContact CD1-CE2 4.32Å; L90-F316 HydrophobicContact CD1-CZ 4.05Å; L269-F316 HydrophobicContact CD1-CE2 3.61Å; L269-F316 HydrophobicContact CD1-CZ 3.82Å; L277-F316 HydrophobicContact CD1-CE2 4.1Å; L277-F316 HydrophobicContact CD1-CZ 3.95Å; Y312-F316 HydrophobicContact CD2-CD2 4.24Å; Y312-F316 HydrophobicContact CD2-CE2 4.06Å; Y312-F316 HydrophobicContact CG-CD2 4.15Å; Y312-F316 HydrophobicContact CG-CE2 4.16Å; Y312-F316 WeakPolarHBondContact O-CB 3.25Å; Y312-F316 PolarHBondContact O-N 2.95Å; F316-L344 HydrophobicContact CB-CD1 4.03Å; F316-L348 HydrophobicContact CB-CD1 3.83Å; F316-L348 HydrophobicContact CB-CD2 3.88Å; F316-L348 HydrophobicContact CB-CG 4.39Å; F316-L348 HydrophobicContact CD1-CD1 4.39Å; F316-L348 HydrophobicContact CG-CD1 4.13Å |
| 317 | S | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -76.5 | 158.8 | -178.4 | 84.7 | 0 | 0 | 0 | 0 | 111.5 | R97 C313 L319 | R97-S317 PolarHBondContact NH1-O 2.94Å; R97-S317 PolarHBondContact NH2-O 3.29Å; C313-S317 VanDerWaalsContact O-CB 3.24Å; C313-S317 WeakPolarHBondContact O-CB 3.42Å; C313-S317 PolarHBondContact O-N 3.45Å; C313-S317 PolarHBondContact O-OG 2.97Å; S317-L319 VanDerWaalsContact C-N 3.34Å; S317-L319 WeakPolarHBondContact OG-CG 3.47Å; S317-L319 PolarHBondContact OG-N 3.43Å | ||
| 318 | F | 92.5 | Very high | 92 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | trans | -97.9 | 18.8 | 176.2 | -57.3 | -77.3 | 0 | 0 | 0 | 113.3 | C93 L96 L100 F152 L155 L351 | C93-F318 HydrophobicContact CB-CZ 4.34Å; L96-F318 HydrophobicContact CB-CE1 3.7Å; L96-F318 HydrophobicContact CB-CZ 3.93Å; L96-F318 HydrophobicContact CD1-CZ 4.1Å; L100-F318 HydrophobicContact CD1-CD1 4.28Å; F152-F318 HydrophobicContact CD2-CD2 4.27Å; F152-F318 HydrophobicContact CD2-CE1 4.09Å; F152-F318 AromaticContact CD2-CE2 3.77Å; F152-F318 HydrophobicContact CD2-CE2 3.77Å; F152-F318 AromaticContact CD2-CZ 3.66Å; F152-F318 HydrophobicContact CD2-CZ 3.66Å; F152-F318 AromaticContact CE2-CD1 3.64Å; F152-F318 HydrophobicContact CE2-CD1 3.64Å; F152-F318 AromaticContact CE2-CD2 3.92Å; F152-F318 HydrophobicContact CE2-CD2 3.92Å; F152-F318 AromaticContact CE2-CE1 3.48Å; F152-F318 HydrophobicContact CE2-CE1 3.48Å; F152-F318 VanDerWaalsContact CE2-CE1 3.48Å; F152-F318 AromaticContact CE2-CE2 3.76Å; F152-F318 HydrophobicContact CE2-CE2 3.76Å; F152-F318 AromaticContact CE2-CG 3.85Å; F152-F318 HydrophobicContact CE2-CG 3.85Å; F152-F318 AromaticContact CE2-CZ 3.54Å; F152-F318 HydrophobicContact CE2-CZ 3.54Å; F152-F318 HydrophobicContact CZ-CD1 4.4Å; F152-F318 HydrophobicContact CZ-CE1 4.37Å; L155-F318 HydrophobicContact CD2-CD2 3.6Å; L155-F318 HydrophobicContact CD2-CE2 3.9Å; F318-L351 HydrophobicContact CE2-CD1 4.47Å; F318-L351 HydrophobicContact CE2-CD2 4.03Å; F318-L351 HydrophobicContact CZ-CD2 4.21Å | ||
| 319 | L | 92.5 | Very high | 92.3 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | trans | -63.5 | 138 | 176.8 | -61.9 | 176.7 | 0 | 0 | 0 | 111.4 | R48 S317 E323 M324 L327 I343 | R48-L319 PolarHBondContact NH1-O 3.5Å; R48-L319 PolarHBondContact NH2-O 2.93Å; S317-L319 VanDerWaalsContact C-N 3.34Å; S317-L319 WeakPolarHBondContact OG-CG 3.47Å; S317-L319 PolarHBondContact OG-N 3.43Å; L319-E323 HydrophobicContact CB-CB 3.99Å; L319-E323 HydrophobicContact CD2-CB 4.09Å; L319-E323 HydrophobicContact CG-CB 4.48Å; L319-M324 HydrophobicContact CB-CG 3.93Å; L319-M324 HydrophobicContact CB-SD 3.85Å; L319-M324 HydrophobicContact CD1-SD 3.61Å; L319-M324 HydrophobicContact CG-SD 4.33Å; L319-L327 HydrophobicContact CD1-CD2 3.8Å; L319-I343 HydrophobicContact CD1-CG2 4.24Å | ||
| 320 | S | 89.6 | Confident | 92.3 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 32% | 0.315 | 24% | 0.241 | S | C | . | . | trans | -61.3 | 164.7 | 167.1 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | Q322 E323 M324 | S320-Q322 VanDerWaalsContact C-N 3.27Å; S320-Q322 PolarHBondContact O-N 2.89Å; S320-E323 VanDerWaalsContact CB-OE2 3.26Å; S320-E323 WeakPolarHBondContact CB-OE2 3.24Å; S320-E323 PolarHBondContact N-OE2 3.38Å; S320-E323 PolarHBondContact O-N 3.32Å; S320-E323 WeakPolarHBondContact OG-CB 3.33Å; S320-E323 VanDerWaalsContact OG-CD 3.31Å; S320-E323 VanDerWaalsContact OG-CG 3.25Å; S320-E323 WeakPolarHBondContact OG-CG 3.26Å; S320-E323 PolarHBondContact OG-N 3.48Å; S320-E323 PolarHBondContact OG-OE2 2.87Å; S320-M324 WeakPolarHBondContact O-CB 3.43Å; S320-M324 WeakPolarHBondContact O-CG 3.12Å; S320-M324 PolarHBondContact O-N 2.83Å | ||
| 321 | I | 86.3 | Confident | 92.4 | Very high | 93 Ų | 93 | 45.2 Ų | 45.2 | 48% | 0.477 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.6 | -63.2 | 173.6 | 0 | 0 | 0 | 110.5 | M324 D325 | I321-M324 WeakPolarHBondContact O-CB 3.48Å; I321-M324 PolarHBondContact O-N 3.15Å; I321-D325 PolarHBondContact O-N 2.72Å |
| 322 | Q | 91.4 | Very high | 92.6 | Very high | 163 Ų | 163 | 49.7 Ų | 49.7 | 76% | 0.762 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 178.5 | -66.8 | 176.6 | -9 | 0 | 0 | 112.4 | S320 M324 D325 S326 | S320-Q322 VanDerWaalsContact C-N 3.27Å; S320-Q322 PolarHBondContact O-N 2.89Å; Q322-M324 VanDerWaalsContact C-N 3.3Å; Q322-M324 PolarHBondContact O-N 3.22Å; Q322-D325 PolarHBondContact O-N 3.32Å; Q322-S326 PolarHBondContact O-N 3.34Å |
| 323 | E | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 46% | 0.463 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.3 | -37 | 174.9 | -71.8 | 164.9 | 130.1 | 0 | 0 | 111.6 | L319 S320 S326 L327 | L319-E323 HydrophobicContact CB-CB 3.99Å; L319-E323 HydrophobicContact CD2-CB 4.09Å; L319-E323 HydrophobicContact CG-CB 4.48Å; S320-E323 VanDerWaalsContact CB-OE2 3.26Å; S320-E323 WeakPolarHBondContact CB-OE2 3.24Å; S320-E323 PolarHBondContact N-OE2 3.38Å; S320-E323 PolarHBondContact O-N 3.32Å; S320-E323 WeakPolarHBondContact OG-CB 3.33Å; S320-E323 VanDerWaalsContact OG-CD 3.31Å; S320-E323 VanDerWaalsContact OG-CG 3.25Å; S320-E323 WeakPolarHBondContact OG-CG 3.26Å; S320-E323 PolarHBondContact OG-N 3.48Å; S320-E323 PolarHBondContact OG-OE2 2.87Å; E323-S326 PolarHBondContact O-N 3.31Å; E323-L327 VanDerWaalsContact O-CB 3.31Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.34Å |
| 324 | M | 92.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 173.9 | -78.8 | -54.4 | -55.3 | 0 | 0 | 112.1 | C313 R314 L319 S320 I321 Q322 L327 I328 | C313-M324 HydrophobicContact CB-CE 3.6Å; C313-M324 HydrophobicContact CB-SD 3.84Å; R314-M324 HydrophobicContact CB-CE 4.38Å; R314-M324 HydrophobicContact CG-CE 3.53Å; L319-M324 HydrophobicContact CB-CG 3.93Å; L319-M324 HydrophobicContact CB-SD 3.85Å; L319-M324 HydrophobicContact CD1-SD 3.61Å; L319-M324 HydrophobicContact CG-SD 4.33Å; S320-M324 WeakPolarHBondContact O-CB 3.43Å; S320-M324 WeakPolarHBondContact O-CG 3.12Å; S320-M324 PolarHBondContact O-N 2.83Å; I321-M324 WeakPolarHBondContact O-CB 3.48Å; I321-M324 PolarHBondContact O-N 3.15Å; Q322-M324 VanDerWaalsContact C-N 3.3Å; Q322-M324 PolarHBondContact O-N 3.22Å; M324-L327 PolarHBondContact O-N 2.8Å; M324-I328 WeakPolarHBondContact O-CD1 3.35Å; M324-I328 VanDerWaalsContact O-CG1 3.22Å; M324-I328 WeakPolarHBondContact O-CG1 3.38Å; M324-I328 PolarHBondContact O-N 3.33Å |
| 325 | D | 92.8 | Very high | 92.8 | Very high | 100 Ų | 100 | 55.9 Ų | 55.9 | 54% | 0.535 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 178.1 | -70.5 | -25 | 0 | 0 | 0 | 111.6 | I321 Q322 I328 G329 | I321-D325 PolarHBondContact O-N 2.72Å; Q322-D325 PolarHBondContact O-N 3.32Å; D325-I328 PolarHBondContact O-N 2.57Å; D325-G329 PolarHBondContact O-N 2.89Å |
| 326 | S | 95.2 | Very high | 92.9 | Very high | 60 Ų | 60 | 62.4 Ų | 62.4 | 42% | 0.42 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60 | -45.7 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 111.7 | Q322 E323 I328 G329 Q330 | Q322-S326 PolarHBondContact O-N 3.34Å; E323-S326 PolarHBondContact O-N 3.31Å; S326-I328 VanDerWaalsContact C-N 3.33Å; S326-I328 PolarHBondContact O-N 2.94Å; S326-G329 PolarHBondContact O-N 3Å; S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 3.39Å; S326-Q330 PolarHBondContact OG-NE2 2.99Å |
| 327 | L | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.5 | 179.9 | 60.5 | 0 | 0 | 0 | 111.9 | L310 C313 L319 E323 M324 Q330 T331 Q339 A340 I343 | L310-L327 HydrophobicContact CD2-CG 4.28Å; C313-L327 HydrophobicContact CB-CD2 4.23Å; L319-L327 HydrophobicContact CD1-CD2 3.8Å; E323-L327 VanDerWaalsContact O-CB 3.31Å; E323-L327 WeakPolarHBondContact O-CB 3.4Å; E323-L327 PolarHBondContact O-N 3.34Å; M324-L327 PolarHBondContact O-N 2.8Å; L327-Q330 PolarHBondContact O-N 3.22Å; L327-T331 WeakPolarHBondContact O-CB 3.27Å; L327-T331 PolarHBondContact O-N 3.42Å; L327-T331 PolarHBondContact O-OG1 3.39Å; L327-Q339 HydrophobicContact CD1-CB 4.24Å; L327-Q339 HydrophobicContact CD1-CG 3.92Å; L327-A340 HydrophobicContact CD1-CB 4.22Å; L327-A340 HydrophobicContact CD2-CB 4.13Å; L327-A340 HydrophobicContact CG-CB 4.27Å; L327-I343 HydrophobicContact CD1-CD1 3.77Å; L327-I343 HydrophobicContact CD2-CD1 4.16Å |
| 328 | I | 93.5 | Very high | 93 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 12% | 0.123 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.4 | -69.7 | 160.5 | 0 | 0 | 0 | 110.2 | L310 M324 D325 S326 T331 K332 | L310-I328 HydrophobicContact CD1-CG1 4.45Å; L310-I328 HydrophobicContact CD2-CG1 3.95Å; M324-I328 WeakPolarHBondContact O-CD1 3.35Å; M324-I328 VanDerWaalsContact O-CG1 3.22Å; M324-I328 WeakPolarHBondContact O-CG1 3.38Å; M324-I328 PolarHBondContact O-N 3.33Å; D325-I328 PolarHBondContact O-N 2.57Å; S326-I328 VanDerWaalsContact C-N 3.33Å; S326-I328 PolarHBondContact O-N 2.94Å; I328-T331 PolarHBondContact O-N 2.97Å; I328-K332 HydrophobicContact CG2-CD 4.39Å; I328-K332 WeakPolarHBondContact O-CG 3.28Å; I328-K332 PolarHBondContact O-N 3.18Å; I328-K332 VanDerWaalsContact O-N 3.1Å |
| 329 | G | 94.5 | Very high | 93.1 | Very high | 35 Ų | 35 | 68.4 Ų | 68.4 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.2 | -50 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | D325 S326 T331 K332 V333 | D325-G329 PolarHBondContact O-N 2.89Å; S326-G329 PolarHBondContact O-N 3Å; G329-T331 PolarHBondContact O-N 3.33Å; G329-K332 PolarHBondContact O-N 2.88Å; G329-V333 WeakPolarHBondContact O-CG2 3.45Å; G329-V333 PolarHBondContact O-N 2.83Å |
| 330 | Q | 93.2 | Very high | 93.3 | Very high | 80 Ų | 80 | 67.5 Ų | 67.5 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 179.1 | -70.9 | 168.6 | 1.9 | 0 | 0 | 112.2 | S326 L327 K332 V333 N334 Q339 | S326-Q330 WeakPolarHBondContact O-CG 3.4Å; S326-Q330 PolarHBondContact O-N 3.39Å; S326-Q330 PolarHBondContact OG-NE2 2.99Å; L327-Q330 PolarHBondContact O-N 3.22Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 2.91Å; Q330-V333 PolarHBondContact O-N 3.3Å; Q330-N334 PolarHBondContact O-N 2.9Å; Q330-Q339 VanDerWaalsContact OE1-CD 3.22Å |
| 331 | T | 93.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.049 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 112 | D306 L310 L327 I328 G329 P335 | D306-T331 HydrophobicContact CB-CG2 4.37Å; L310-T331 HydrophobicContact CD1-CG2 4.18Å; L310-T331 HydrophobicContact CD2-CG2 4.45Å; L310-T331 HydrophobicContact CG-CG2 4.41Å; L327-T331 WeakPolarHBondContact O-CB 3.27Å; L327-T331 PolarHBondContact O-N 3.42Å; L327-T331 PolarHBondContact O-OG1 3.39Å; I328-T331 PolarHBondContact O-N 2.97Å; G329-T331 PolarHBondContact O-N 3.33Å; T331-P335 WeakPolarHBondContact O-CA 3.44Å; T331-P335 WeakPolarHBondContact O-CB 3.17Å; T331-P335 WeakPolarHBondContact O-CD 3.33Å |
| 332 | K | 93 | Very high | 94.1 | Very high | 169 Ų | 169 | 65.4 Ų | 65.4 | 74% | 0.735 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -70.4 | -35.9 | 174.4 | -75.5 | 176.6 | 179.9 | -178.6 | 0 | 112.8 | I328 G329 Q330 | I328-K332 HydrophobicContact CG2-CD 4.39Å; I328-K332 WeakPolarHBondContact O-CG 3.28Å; I328-K332 PolarHBondContact O-N 3.18Å; I328-K332 VanDerWaalsContact O-N 3.1Å; G329-K332 PolarHBondContact O-N 2.88Å; Q330-K332 VanDerWaalsContact C-N 3.29Å; Q330-K332 PolarHBondContact O-N 2.91Å |
| 333 | V | 94.7 | Very high | 94.3 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 77% | 0.77 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -78.5 | -38.8 | -178.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | G329 Q330 | G329-V333 WeakPolarHBondContact O-CG2 3.45Å; G329-V333 PolarHBondContact O-N 2.83Å; Q330-V333 PolarHBondContact O-N 3.3Å |
| 334 | N | 94.4 | Very high | 94.4 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | trans | -141.2 | 75.3 | -176.1 | -175.7 | -24.7 | 0 | 0 | 0 | 110.3 | Q330 E336 A337 | Q330-N334 PolarHBondContact O-N 2.9Å; N334-E336 VanDerWaalsContact C-N 3.27Å; N334-E336 VanDerWaalsContact CG-OE1 3.29Å; N334-E336 PolarHBondContact O-N 3.3Å; N334-E336 VanDerWaalsContact OD1-CG 3.23Å; N334-E336 WeakPolarHBondContact OD1-CG 3.25Å; N334-E336 PolarHBondContact OD1-OE1 2.98Å; N334-E336 PolarHBondContact OD1-OE2 3.33Å; N334-A337 PolarHBondContact O-N 3.49Å; N334-A337 VanDerWaalsContact OD1-CB 3.23Å; N334-A337 WeakPolarHBondContact OD1-CB 3.44Å; N334-A337 PolarHBondContact OD1-N 2.97Å | ||
| 335 | P | 91.7 | Very high | 94.7 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -64.7 | -30.3 | 177.8 | 25 | -33.4 | 0 | 0 | 0 | 112.7 | D306 T331 A337 R338 | D306-P335 WeakPolarHBondContact OD2-CB 3.24Å; T331-P335 WeakPolarHBondContact O-CA 3.44Å; T331-P335 WeakPolarHBondContact O-CB 3.17Å; T331-P335 WeakPolarHBondContact O-CD 3.33Å; P335-A337 PolarHBondContact O-N 3.33Å; P335-R338 PolarHBondContact O-N 2.98Å |
| 336 | E | 93.5 | Very high | 94.9 | Very high | 140 Ų | 140 | 52.9 Ų | 52.9 | 65% | 0.654 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.9 | -179 | 69 | -80 | -172.1 | 0 | 0 | 113.7 | N334 R338 | N334-E336 VanDerWaalsContact C-N 3.27Å; N334-E336 VanDerWaalsContact CG-OE1 3.29Å; N334-E336 PolarHBondContact O-N 3.3Å; N334-E336 VanDerWaalsContact OD1-CG 3.23Å; N334-E336 WeakPolarHBondContact OD1-CG 3.25Å; N334-E336 PolarHBondContact OD1-OE1 2.98Å; N334-E336 PolarHBondContact OD1-OE2 3.33Å; E336-R338 VanDerWaalsContact O-CG 3.28Å; E336-R338 WeakPolarHBondContact O-CG 3.4Å; E336-R338 PolarHBondContact O-N 2.89Å |
| 337 | A | 93.3 | Very high | 95 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 29% | 0.289 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -65.6 | -17.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N334 P335 Q339 R342 | N334-A337 PolarHBondContact O-N 3.49Å; N334-A337 VanDerWaalsContact OD1-CB 3.23Å; N334-A337 WeakPolarHBondContact OD1-CB 3.44Å; N334-A337 PolarHBondContact OD1-N 2.97Å; P335-A337 PolarHBondContact O-N 3.33Å; A337-Q339 PolarHBondContact O-N 2.94Å; A337-R342 PolarHBondContact O-NH1 3.33Å; A337-R342 PolarHBondContact O-NH2 2.84Å |
| 338 | R | 95.1 | Very high | 95.1 | Very high | 53 Ų | 53 | 51.6 Ų | 51.6 | 20% | 0.2 | 26% | 0.264 | C | S | . | . | trans | 49.6 | 40.3 | 179 | -42 | -149.6 | 84.3 | -149.8 | -3.9 | 113.1 | F302 L304 D306 P335 E336 Q341 R342 | F302-R338 PolarHBondContact O-NH1 3.26Å; L304-R338 PolarHBondContact O-NH2 2.92Å; D306-R338 IonicContact OD1-NH2 3.55Å; P335-R338 PolarHBondContact O-N 2.98Å; E336-R338 VanDerWaalsContact O-CG 3.28Å; E336-R338 WeakPolarHBondContact O-CG 3.4Å; E336-R338 PolarHBondContact O-N 2.89Å; R338-Q341 VanDerWaalsContact C-OE1 3.24Å; R338-Q341 VanDerWaalsContact CA-OE1 3.27Å; R338-Q341 HydrophobicContact CB-CB 4.3Å; R338-Q341 VanDerWaalsContact NH2-NE2 3.12Å; R338-Q341 PolarHBondContact O-N 3.43Å; R338-Q341 PolarHBondContact O-OE1 3.29Å; R338-R342 PolarHBondContact O-N 3.16Å | ||
| 339 | Q | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.1 | -42.9 | -170.4 | -171.9 | 179.4 | -8.8 | 0 | 0 | 112.5 | L327 Q330 A337 Q341 R342 I343 | L327-Q339 HydrophobicContact CD1-CB 4.24Å; L327-Q339 HydrophobicContact CD1-CG 3.92Å; Q330-Q339 VanDerWaalsContact OE1-CD 3.22Å; A337-Q339 PolarHBondContact O-N 2.94Å; Q339-Q341 VanDerWaalsContact C-N 3.32Å; Q339-Q341 PolarHBondContact O-N 3.03Å; Q339-R342 PolarHBondContact O-N 3.35Å; Q339-I343 HydrophobicContact CG-CD1 4.03Å; Q339-I343 WeakPolarHBondContact O-CG1 3.36Å; Q339-I343 PolarHBondContact O-N 3.19Å |
| 340 | A | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A309 L310 L327 L344 | A309-A340 HydrophobicContact CB-CB 4.09Å; L310-A340 HydrophobicContact CD2-CB 3.94Å; L310-A340 HydrophobicContact CG-CB 4.47Å; L327-A340 HydrophobicContact CD1-CB 4.22Å; L327-A340 HydrophobicContact CD2-CB 4.13Å; L327-A340 HydrophobicContact CG-CB 4.27Å; A340-L344 VanDerWaalsContact O-CB 3.26Å; A340-L344 WeakPolarHBondContact O-CB 3.37Å; A340-L344 PolarHBondContact O-N 3.27Å |
| 341 | Q | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.5 | -70.1 | 89.2 | -14.1 | 0 | 0 | 112.2 | F302 L304 D306 A309 R338 Q339 L344 A345 | F302-Q341 HydrophobicContact CD2-CB 4.21Å; F302-Q341 WeakPolarHBondContact O-CB 3.48Å; F302-Q341 WeakPolarHBondContact O-CG 3.49Å; L304-Q341 PolarHBondContact O-NE2 3.39Å; D306-Q341 PolarHBondContact OD1-NE2 3.44Å; A309-Q341 HydrophobicContact CB-CG 3.72Å; R338-Q341 VanDerWaalsContact C-OE1 3.24Å; R338-Q341 VanDerWaalsContact CA-OE1 3.27Å; R338-Q341 HydrophobicContact CB-CB 4.3Å; R338-Q341 VanDerWaalsContact NH2-NE2 3.12Å; R338-Q341 PolarHBondContact O-N 3.43Å; R338-Q341 PolarHBondContact O-OE1 3.29Å; Q339-Q341 VanDerWaalsContact C-N 3.32Å; Q339-Q341 PolarHBondContact O-N 3.03Å; Q341-L344 PolarHBondContact O-N 3.06Å; Q341-A345 WeakPolarHBondContact O-CB 3.24Å; Q341-A345 PolarHBondContact O-N 2.81Å |
| 342 | R | 97 | Very high | 96 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 36% | 0.355 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -51.7 | 178.3 | -172.7 | 179.8 | -59.6 | 93.6 | 5.4 | 111.5 | F302 A337 R338 Q339 L344 A345 E346 | F302-R342 HydrophobicContact CE2-CB 4.22Å; A337-R342 PolarHBondContact O-NH1 3.33Å; A337-R342 PolarHBondContact O-NH2 2.84Å; R338-R342 PolarHBondContact O-N 3.16Å; Q339-R342 PolarHBondContact O-N 3.35Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 3.43Å; R342-A345 PolarHBondContact O-N 2.85Å; R342-E346 HydrophobicContact CG-CG 4.34Å; R342-E346 WeakPolarHBondContact CG-OE1 3.15Å; R342-E346 WeakPolarHBondContact O-CB 3.41Å; R342-E346 WeakPolarHBondContact O-CG 3.34Å; R342-E346 PolarHBondContact O-N 3.45Å |
| 343 | I | 96.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 18% | 0.179 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.7 | -48.4 | 178.4 | -69.8 | 170.2 | 0 | 0 | 0 | 110.5 | L319 L327 Q339 Q347 | L319-I343 HydrophobicContact CD1-CG2 4.24Å; L327-I343 HydrophobicContact CD1-CD1 3.77Å; L327-I343 HydrophobicContact CD2-CD1 4.16Å; Q339-I343 HydrophobicContact CG-CD1 4.03Å; Q339-I343 WeakPolarHBondContact O-CG1 3.36Å; Q339-I343 PolarHBondContact O-N 3.19Å; I343-Q347 HydrophobicContact CG2-CG 4.35Å; I343-Q347 VanDerWaalsContact O-CB 3.3Å; I343-Q347 WeakPolarHBondContact O-CB 3.46Å; I343-Q347 VanDerWaalsContact O-CG 3.3Å; I343-Q347 WeakPolarHBondContact O-CG 3.49Å; I343-Q347 PolarHBondContact O-N 3.05Å |
| 344 | L | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | -179.1 | -172.7 | 68.7 | 0 | 0 | 0 | 111.9 | F301 L304 Y312 F316 A340 Q341 R342 L348 | F301-L344 HydrophobicContact CB-CD2 4.19Å; F301-L344 HydrophobicContact CB-CG 4.21Å; F301-L344 HydrophobicContact CD1-CD2 3.6Å; F301-L344 HydrophobicContact CD1-CG 3.83Å; F301-L344 HydrophobicContact CE1-CD2 4.46Å; F301-L344 HydrophobicContact CG-CD2 4.28Å; F301-L344 HydrophobicContact CG-CG 4.23Å; L304-L344 HydrophobicContact CD1-CD2 3.75Å; Y312-L344 VanDerWaalsContact CB-CD2 3.45Å; Y312-L344 HydrophobicContact CD2-CD2 4.13Å; Y312-L344 HydrophobicContact CG-CD2 4.28Å; F316-L344 HydrophobicContact CB-CD1 4.03Å; A340-L344 VanDerWaalsContact O-CB 3.26Å; A340-L344 WeakPolarHBondContact O-CB 3.37Å; A340-L344 PolarHBondContact O-N 3.27Å; Q341-L344 PolarHBondContact O-N 3.06Å; R342-L344 VanDerWaalsContact C-N 3.3Å; R342-L344 PolarHBondContact O-N 3.43Å; L344-L348 HydrophobicContact CD1-CD1 3.6Å; L344-L348 HydrophobicContact CD1-CG 4.12Å; L344-L348 HydrophobicContact CG-CD1 3.94Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.44Å |
| 345 | A | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.3 | -45.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y298 F301 F302 Q341 R342 T349 | Y298-A345 HydrophobicContact CD1-CB 4.38Å; Y298-A345 HydrophobicContact CD2-CB 3.65Å; Y298-A345 HydrophobicContact CE1-CB 4.3Å; Y298-A345 HydrophobicContact CE2-CB 3.56Å; Y298-A345 HydrophobicContact CG-CB 4.06Å; Y298-A345 WeakPolarHBondContact O-CB 3.47Å; F301-A345 HydrophobicContact CB-CB 3.87Å; F302-A345 HydrophobicContact CB-CB 4.12Å; Q341-A345 WeakPolarHBondContact O-CB 3.24Å; Q341-A345 PolarHBondContact O-N 2.81Å; R342-A345 PolarHBondContact O-N 2.85Å; A345-T349 WeakPolarHBondContact O-CB 3.44Å; A345-T349 PolarHBondContact O-N 3.33Å; A345-T349 PolarHBondContact O-OG1 2.89Å |
| 346 | E | 98 | Very high | 96.8 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 33% | 0.327 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -66.2 | -51.3 | 179.2 | -69.8 | 177.5 | -169.2 | 0 | 0 | 111.9 | Y298 R342 L348 T349 L350 L358 | Y298-E346 HydrophobicContact CE2-CG 3.81Å; R342-E346 HydrophobicContact CG-CG 4.34Å; R342-E346 WeakPolarHBondContact CG-OE1 3.15Å; R342-E346 WeakPolarHBondContact O-CB 3.41Å; R342-E346 WeakPolarHBondContact O-CG 3.34Å; R342-E346 PolarHBondContact O-N 3.45Å; E346-L348 PolarHBondContact O-N 2.91Å; E346-T349 PolarHBondContact O-N 3.28Å; E346-L350 WeakPolarHBondContact O-CB 3.22Å; E346-L350 PolarHBondContact O-N 3.37Å; E346-L358 HydrophobicContact CB-CD1 4.26Å; E346-L358 HydrophobicContact CG-CD1 4.19Å |
| 347 | Q | 97.2 | Very high | 97 | Very high | 36 Ų | 36 | 32 Ų | 32 | 17% | 0.168 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.4 | -45.3 | -178.2 | -74.1 | -172.2 | 19.9 | 0 | 0 | 111.8 | L155 I343 L351 | L155-Q347 HydrophobicContact CD1-CG 4.24Å; I343-Q347 HydrophobicContact CG2-CG 4.35Å; I343-Q347 VanDerWaalsContact O-CB 3.3Å; I343-Q347 WeakPolarHBondContact O-CB 3.46Å; I343-Q347 VanDerWaalsContact O-CG 3.3Å; I343-Q347 WeakPolarHBondContact O-CG 3.49Å; I343-Q347 PolarHBondContact O-N 3.05Å; Q347-L351 VanDerWaalsContact O-CB 3.25Å; Q347-L351 WeakPolarHBondContact O-CB 3.39Å; Q347-L351 PolarHBondContact O-N 3.06Å |
| 348 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.3 | -35.1 | -178.1 | -61.6 | -177.6 | 0 | 0 | 0 | 112.4 | F297 F301 F316 L344 E346 L351 V352 | F297-L348 HydrophobicContact CE1-CB 3.83Å; F297-L348 HydrophobicContact CZ-CB 4.23Å; F301-L348 HydrophobicContact CD1-CD1 3.89Å; F301-L348 HydrophobicContact CD2-CD1 4.3Å; F301-L348 HydrophobicContact CE1-CD1 3.48Å; F301-L348 VanDerWaalsContact CE1-CD1 3.48Å; F301-L348 HydrophobicContact CE2-CB 4.36Å; F301-L348 HydrophobicContact CE2-CD1 3.99Å; F301-L348 HydrophobicContact CG-CD1 4.26Å; F301-L348 HydrophobicContact CZ-CD1 3.54Å; F316-L348 HydrophobicContact CB-CD1 3.83Å; F316-L348 HydrophobicContact CB-CD2 3.88Å; F316-L348 HydrophobicContact CB-CG 4.39Å; F316-L348 HydrophobicContact CD1-CD1 4.39Å; F316-L348 HydrophobicContact CG-CD1 4.13Å; L344-L348 HydrophobicContact CD1-CD1 3.6Å; L344-L348 HydrophobicContact CD1-CG 4.12Å; L344-L348 HydrophobicContact CG-CD1 3.94Å; L344-L348 WeakPolarHBondContact O-CB 3.5Å; L344-L348 VanDerWaalsContact O-CG 3.28Å; L344-L348 WeakPolarHBondContact O-CG 3.41Å; L344-L348 PolarHBondContact O-N 3.44Å; E346-L348 PolarHBondContact O-N 2.91Å; L348-L351 HydrophobicContact CD2-CD2 4.22Å; L348-L351 PolarHBondContact O-N 2.91Å; L348-V352 WeakPolarHBondContact O-CB 3.39Å; L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 2.84Å |
| 349 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -40.7 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | A345 E346 H353 G354 L358 A361 | A345-T349 WeakPolarHBondContact O-CB 3.44Å; A345-T349 PolarHBondContact O-N 3.33Å; A345-T349 PolarHBondContact O-OG1 2.89Å; E346-T349 PolarHBondContact O-N 3.28Å; T349-H353 HydrophobicContact CG2-CB 4.37Å; T349-H353 WeakPolarHBondContact O-CA 3.48Å; T349-H353 WeakPolarHBondContact O-CB 3.31Å; T349-H353 PolarHBondContact O-N 3.12Å; T349-G354 PolarHBondContact O-N 3.41Å; T349-L358 HydrophobicContact CG2-CB 4.16Å; T349-L358 HydrophobicContact CG2-CD1 4.2Å; T349-A361 HydrophobicContact CG2-CB 4.16Å |
| 350 | L | 98 | Very high | 97.5 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 172 | 179.3 | 59 | 0 | 0 | 0 | 111.3 | N151 L155 E346 V352 G354 P355 L358 | N151-L350 WeakPolarHBondContact CB-O 3.4Å; N151-L350 PolarHBondContact ND2-O 2.84Å; L155-L350 HydrophobicContact CB-CD2 4.26Å; L155-L350 HydrophobicContact CD1-CD2 3.89Å; E346-L350 WeakPolarHBondContact O-CB 3.22Å; E346-L350 PolarHBondContact O-N 3.37Å; L350-V352 PolarHBondContact O-N 3.33Å; L350-G354 WeakPolarHBondContact O-CA 3.45Å; L350-G354 PolarHBondContact O-N 3.19Å; L350-P355 HydrophobicContact CD1-CB 4.3Å; L350-P355 HydrophobicContact CD1-CG 3.82Å; L350-L358 HydrophobicContact CB-CD2 4.06Å |
| 351 | L | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.3 | -46.8 | -179.7 | -174.4 | 67.2 | 0 | 0 | 0 | 111.8 | L89 L96 I148 N151 F152 F318 Q347 L348 | L89-L351 HydrophobicContact CD1-CD2 4.15Å; L96-L351 HydrophobicContact CD1-CD1 4.09Å; I148-L351 HydrophobicContact CG2-CD1 4.02Å; I148-L351 HydrophobicContact CG2-CD2 4.48Å; I148-L351 HydrophobicContact CG2-CG 4.03Å; N151-L351 WeakPolarHBondContact CB-O 3.48Å; N151-L351 PolarHBondContact ND2-O 3.42Å; F152-L351 HydrophobicContact CB-CD1 3.72Å; F152-L351 HydrophobicContact CD2-CD1 4.18Å; F152-L351 HydrophobicContact CG-CD1 4.47Å; F318-L351 HydrophobicContact CE2-CD1 4.47Å; F318-L351 HydrophobicContact CE2-CD2 4.03Å; F318-L351 HydrophobicContact CZ-CD2 4.21Å; Q347-L351 VanDerWaalsContact O-CB 3.25Å; Q347-L351 WeakPolarHBondContact O-CB 3.39Å; Q347-L351 PolarHBondContact O-N 3.06Å; L348-L351 HydrophobicContact CD2-CD2 4.22Å; L348-L351 PolarHBondContact O-N 2.91Å |
| 352 | V | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -86 | -50.9 | -173.8 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | L89 K147 L287 F297 L348 L350 | L89-V352 HydrophobicContact CD1-CG2 3.79Å; L89-V352 HydrophobicContact CD2-CG2 3.93Å; K147-V352 WeakPolarHBondContact CE-O 3.18Å; L287-V352 HydrophobicContact CB-CG1 3.82Å; L287-V352 HydrophobicContact CD2-CG1 4.2Å; L287-V352 HydrophobicContact CD2-CG2 4.12Å; L287-V352 HydrophobicContact CG-CG1 4.49Å; L287-V352 VanDerWaalsContact O-CG1 3.29Å; L287-V352 WeakPolarHBondContact O-CG1 3.45Å; F297-V352 HydrophobicContact CE1-CB 4.35Å; F297-V352 HydrophobicContact CE1-CG2 4.29Å; F297-V352 HydrophobicContact CE2-CG1 4.45Å; F297-V352 HydrophobicContact CE2-CG2 4.34Å; F297-V352 HydrophobicContact CZ-CB 4.11Å; F297-V352 HydrophobicContact CZ-CG1 4.44Å; F297-V352 HydrophobicContact CZ-CG2 3.71Å; L348-V352 WeakPolarHBondContact O-CB 3.39Å; L348-V352 WeakPolarHBondContact O-CG2 3.37Å; L348-V352 PolarHBondContact O-N 2.84Å; L350-V352 PolarHBondContact O-N 3.33Å |
| 353 | H | 98.2 | Very high | 97.7 | Very high | 7 Ų | 7 | 34.1 Ų | 34.1 | 3% | 0.032 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -97.5 | -15 | -172 | -60.4 | -68.5 | 0 | 0 | 0 | 113.6 | K147 L287 F297 T349 | K147-H353 WeakPolarHBondContact CE-O 3.42Å; K147-H353 PolarHBondContact NZ-O 2.93Å; L287-H353 PolarHBondContact O-CE1 3.22Å; F297-H353 WeakPolarHBondContact CB-NE2 3.47Å; F297-H353 AromaticContact CD1-CD2 3.9Å; F297-H353 AromaticContact CD1-NE2 3.92Å; F297-H353 AromaticContact CD2-NE2 3.76Å; F297-H353 AromaticContact CG-CD2 3.89Å; F297-H353 AromaticContact CG-NE2 3.43Å; F297-H353 WeakPolarHBondContact CG-NE2 3.5Å; T349-H353 HydrophobicContact CG2-CB 4.37Å; T349-H353 WeakPolarHBondContact O-CA 3.48Å; T349-H353 WeakPolarHBondContact O-CB 3.31Å; T349-H353 PolarHBondContact O-N 3.12Å |
| 354 | G | 97.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | 83 | 179.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N151 T349 L350 E356 G357 L358 | N151-G354 WeakPolarHBondContact ND2-CA 3.1Å; N151-G354 PolarHBondContact ND2-N 3.27Å; T349-G354 PolarHBondContact O-N 3.41Å; L350-G354 WeakPolarHBondContact O-CA 3.45Å; L350-G354 PolarHBondContact O-N 3.19Å; G354-E356 VanDerWaalsContact C-N 3.31Å; G354-E356 PolarHBondContact O-N 3.27Å; G354-G357 PolarHBondContact O-N 2.8Å; G354-G357 VanDerWaalsContact O-N 3.13Å; G354-L358 PolarHBondContact O-N 2.94Å |
| 355 | P | 97.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 44% | 0.435 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.9 | -41.3 | -177.5 | -25.8 | 33.8 | 0 | 0 | 0 | 113.5 | L350 L358 S359 | L350-P355 HydrophobicContact CD1-CB 4.3Å; L350-P355 HydrophobicContact CD1-CG 3.82Å; P355-L358 PolarHBondContact O-N 3.46Å; P355-S359 VanDerWaalsContact O-CB 3.31Å; P355-S359 WeakPolarHBondContact O-CB 3.31Å; P355-S359 PolarHBondContact O-N 2.83Å |
| 356 | E | 97.4 | Very high | 97.6 | Very high | 165 Ų | 165 | 36.4 Ų | 36.4 | 77% | 0.771 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -63.8 | -42.2 | 177.4 | -65.5 | 177.1 | -177.3 | 0 | 0 | 112.1 | G354 S359 T360 | G354-E356 VanDerWaalsContact C-N 3.31Å; G354-E356 PolarHBondContact O-N 3.27Å; E356-S359 PolarHBondContact O-N 3.24Å; E356-T360 VanDerWaalsContact O-CB 3.31Å; E356-T360 WeakPolarHBondContact O-CB 3.32Å; E356-T360 PolarHBondContact O-N 3Å; E356-T360 PolarHBondContact O-OG1 3.28Å |
| 357 | G | 98 | Very high | 97.5 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S294 G354 T360 A361 | S294-G357 WeakPolarHBondContact CB-O 3.46Å; S294-G357 WeakPolarHBondContact OG-CA 3.33Å; G354-G357 PolarHBondContact O-N 2.8Å; G354-G357 VanDerWaalsContact O-N 3.13Å; G357-T360 PolarHBondContact O-N 3.39Å; G357-A361 WeakPolarHBondContact O-CB 3.38Å; G357-A361 PolarHBondContact O-N 3.42Å |
| 358 | L | 98.5 | Very high | 97.4 | Very high | 27 Ų | 27 | 31.8 Ų | 31.8 | 14% | 0.141 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.5 | 176.6 | 59.7 | 0 | 0 | 0 | 111.6 | Y298 E346 T349 L350 G354 P355 T360 A361 L362 | Y298-L358 HydrophobicContact CD2-CD1 4.17Å; Y298-L358 HydrophobicContact CE2-CD1 4.23Å; E346-L358 HydrophobicContact CB-CD1 4.26Å; E346-L358 HydrophobicContact CG-CD1 4.19Å; T349-L358 HydrophobicContact CG2-CB 4.16Å; T349-L358 HydrophobicContact CG2-CD1 4.2Å; L350-L358 HydrophobicContact CB-CD2 4.06Å; G354-L358 PolarHBondContact O-N 2.94Å; P355-L358 PolarHBondContact O-N 3.46Å; L358-T360 VanDerWaalsContact C-N 3.28Å; L358-T360 PolarHBondContact O-N 3.33Å; L358-A361 PolarHBondContact O-N 2.78Å; L358-L362 HydrophobicContact CD1-CD1 3.96Å; L358-L362 HydrophobicContact CD1-CD2 4.49Å; L358-L362 HydrophobicContact CD1-CG 3.94Å; L358-L362 HydrophobicContact CG-CD1 4Å; L358-L362 HydrophobicContact CG-CG 4.39Å; L358-L362 WeakPolarHBondContact O-CG 3.24Å; L358-L362 PolarHBondContact O-N 2.99Å |
| 359 | S | 98.2 | Very high | 97.2 | Very high | 77 Ų | 77 | 34.1 Ų | 34.1 | 54% | 0.538 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.5 | -43.3 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 111.7 | P355 E356 L362 K363 | P355-S359 VanDerWaalsContact O-CB 3.31Å; P355-S359 WeakPolarHBondContact O-CB 3.31Å; P355-S359 PolarHBondContact O-N 2.83Å; E356-S359 PolarHBondContact O-N 3.24Å; S359-L362 PolarHBondContact O-N 3.18Å; S359-K363 WeakPolarHBondContact O-CB 3.46Å; S359-K363 PolarHBondContact O-N 3.25Å |
| 360 | T | 97.7 | Very high | 96.7 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 24% | 0.239 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.2 | -47.8 | 176.3 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | E356 G357 L358 L362 K363 V364 M386 E390 | E356-T360 VanDerWaalsContact O-CB 3.31Å; E356-T360 WeakPolarHBondContact O-CB 3.32Å; E356-T360 PolarHBondContact O-N 3Å; E356-T360 PolarHBondContact O-OG1 3.28Å; G357-T360 PolarHBondContact O-N 3.39Å; L358-T360 VanDerWaalsContact C-N 3.28Å; L358-T360 PolarHBondContact O-N 3.33Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.12Å; T360-K363 PolarHBondContact O-N 3.12Å; T360-V364 HydrophobicContact CG2-CG2 4.33Å; T360-V364 WeakPolarHBondContact O-CG2 3.16Å; T360-V364 PolarHBondContact O-N 2.8Å; T360-M386 HydrophobicContact CG2-CG 3.95Å; T360-M386 HydrophobicContact CG2-SD 3.72Å; T360-E390 HydrophobicContact CG2-CG 3.64Å |
| 361 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S294 Y298 T349 G357 L358 T365 | S294-A361 WeakPolarHBondContact O-CB 3.49Å; Y298-A361 HydrophobicContact CD2-CB 4.38Å; Y298-A361 HydrophobicContact CG-CB 4.1Å; T349-A361 HydrophobicContact CG2-CB 4.16Å; G357-A361 WeakPolarHBondContact O-CB 3.38Å; G357-A361 PolarHBondContact O-N 3.42Å; L358-A361 PolarHBondContact O-N 2.78Å; A361-T365 VanDerWaalsContact O-CB 3.27Å; A361-T365 WeakPolarHBondContact O-CB 2.84Å; A361-T365 PolarHBondContact O-N 3.16Å; A361-T365 PolarHBondContact O-OG1 3.06Å |
| 362 | L | 98 | Very high | 95.9 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.7 | -45.7 | 175.9 | -70 | 175.2 | 0 | 0 | 0 | 111.4 | Y298 L358 S359 T360 V364 T365 E366 | Y298-L362 HydrophobicContact CE2-CD2 3.76Å; L358-L362 HydrophobicContact CD1-CD1 3.96Å; L358-L362 HydrophobicContact CD1-CD2 4.49Å; L358-L362 HydrophobicContact CD1-CG 3.94Å; L358-L362 HydrophobicContact CG-CD1 4Å; L358-L362 HydrophobicContact CG-CG 4.39Å; L358-L362 WeakPolarHBondContact O-CG 3.24Å; L358-L362 PolarHBondContact O-N 2.99Å; S359-L362 PolarHBondContact O-N 3.18Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.12Å; L362-V364 PolarHBondContact O-N 3.09Å; L362-T365 WeakPolarHBondContact O-CB 3.29Å; L362-T365 PolarHBondContact O-N 3.48Å; L362-E366 PolarHBondContact O-N 2.85Å |
| 363 | K | 96.5 | Very high | 95.6 | Very high | 81 Ų | 81 | 47.5 Ų | 47.5 | 35% | 0.352 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.7 | -178.3 | 174.9 | 178.8 | 175.6 | 0 | 112 | S359 T360 T365 E366 I367 E383 M386 | S359-K363 WeakPolarHBondContact O-CB 3.46Å; S359-K363 PolarHBondContact O-N 3.25Å; T360-K363 PolarHBondContact O-N 3.12Å; K363-T365 VanDerWaalsContact C-N 3.33Å; K363-E366 PolarHBondContact O-N 3.22Å; K363-I367 HydrophobicContact CG-CD1 4.16Å; K363-I367 WeakPolarHBondContact O-CG1 3.49Å; K363-I367 PolarHBondContact O-N 2.92Å; K363-I367 VanDerWaalsContact O-N 3.12Å; K363-E383 IonicContact NZ-OE1 2.94Å; K363-E383 PolarHBondContact NZ-OE1 2.83Å; K363-M386 HydrophobicContact CD-CE 4.38Å |
| 364 | V | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -40.1 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | Y295 T360 L362 I367 L368 M386 L387 E390 V391 | Y295-V364 HydrophobicContact CD1-CG1 4.16Å; Y295-V364 HydrophobicContact CD2-CB 3.77Å; Y295-V364 HydrophobicContact CD2-CG1 3.39Å; Y295-V364 HydrophobicContact CE2-CB 4.45Å; Y295-V364 HydrophobicContact CE2-CG1 3.78Å; Y295-V364 HydrophobicContact CG-CB 4.13Å; Y295-V364 HydrophobicContact CG-CG1 3.59Å; T360-V364 HydrophobicContact CG2-CG2 4.33Å; T360-V364 WeakPolarHBondContact O-CG2 3.16Å; T360-V364 PolarHBondContact O-N 2.8Å; L362-V364 PolarHBondContact O-N 3.09Å; V364-I367 PolarHBondContact O-N 3.47Å; V364-L368 HydrophobicContact CG1-CD1 3.84Å; V364-L368 HydrophobicContact CG1-CG 4.34Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 3.4Å; V364-M386 HydrophobicContact CG2-CE 4.09Å; V364-M386 HydrophobicContact CG2-SD 3.41Å; V364-M386 WeakPolarHBondContact CG2-SD 3.42Å; V364-L387 HydrophobicContact CB-CD2 4.44Å; V364-L387 HydrophobicContact CG1-CD2 3.98Å; V364-L387 HydrophobicContact CG2-CD2 4.13Å; V364-E390 HydrophobicContact CG2-CB 3.96Å; V364-E390 HydrophobicContact CG2-CG 4.24Å; V364-V391 HydrophobicContact CG1-CG2 3.67Å |
| 365 | T | 96.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.043 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 176.3 | -62.3 | 0 | 0 | 0 | 0 | 111.7 | Y298 Q299 A361 L362 K363 L368 H369 | Y298-T365 HydrophobicContact CE1-CG2 4.33Å; Q299-T365 PolarHBondContact NE2-OG1 2.89Å; A361-T365 VanDerWaalsContact O-CB 3.27Å; A361-T365 WeakPolarHBondContact O-CB 2.84Å; A361-T365 PolarHBondContact O-N 3.16Å; A361-T365 PolarHBondContact O-OG1 3.06Å; L362-T365 WeakPolarHBondContact O-CB 3.29Å; L362-T365 PolarHBondContact O-N 3.48Å; K363-T365 VanDerWaalsContact C-N 3.33Å; T365-L368 PolarHBondContact O-N 3.24Å; T365-H369 WeakPolarHBondContact O-CB 3.32Å; T365-H369 PolarHBondContact O-N 3.5Å |
| 366 | E | 95.2 | Very high | 95 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.36 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58 | -50.8 | 176.3 | -156.7 | -159 | 161.8 | 0 | 0 | 110.9 | L362 K363 L368 H370 Q372 K375 | L362-E366 PolarHBondContact O-N 2.85Å; K363-E366 PolarHBondContact O-N 3.22Å; E366-L368 PolarHBondContact O-N 2.94Å; E366-H370 WeakPolarHBondContact O-CB 3.32Å; E366-H370 PolarHBondContact O-N 2.96Å; E366-H370 VanDerWaalsContact O-N 3.16Å; E366-Q372 VanDerWaalsContact OE1-CD 3.27Å; E366-Q372 PolarHBondContact OE1-NE2 3.02Å; E366-Q372 PolarHBondContact OE1-OE1 2.86Å; E366-K375 IonicContact OE1-NZ 3.05Å; E366-K375 PolarHBondContact OE1-NZ 3Å; E366-K375 IonicContact OE2-NZ 3.81Å |
| 367 | I | 95.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | -179.5 | -67.2 | 164.3 | 0 | 0 | 0 | 111.4 | K363 V364 Q372 L373 I376 M379 L387 | K363-I367 HydrophobicContact CG-CD1 4.16Å; K363-I367 WeakPolarHBondContact O-CG1 3.49Å; K363-I367 PolarHBondContact O-N 2.92Å; K363-I367 VanDerWaalsContact O-N 3.12Å; V364-I367 PolarHBondContact O-N 3.47Å; I367-Q372 CarbonylContact O-C 3.51Å; I367-Q372 VanDerWaalsContact O-C 3.29Å; I367-L373 PolarHBondContact O-N 2.91Å; I367-I376 HydrophobicContact CG2-CD1 3.91Å; I367-I376 HydrophobicContact CG2-CG1 3.75Å; I367-M379 HydrophobicContact CD1-CE 3.81Å; I367-M379 HydrophobicContact CD1-SD 3.96Å; I367-L387 HydrophobicContact CD1-CD2 4.26Å |
| 368 | L | 95.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -85.6 | -37.9 | -171.1 | -63.9 | -178.5 | 0 | 0 | 0 | 113.8 | Y295 V364 T365 E366 L373 V391 V457 Y465 | Y295-L368 HydrophobicContact CE1-CD1 4.24Å; Y295-L368 HydrophobicContact CE2-CD1 4.09Å; Y295-L368 WeakPolarHBondContact OH-CD1 3.36Å; V364-L368 HydrophobicContact CG1-CD1 3.84Å; V364-L368 HydrophobicContact CG1-CG 4.34Å; V364-L368 WeakPolarHBondContact O-CG 3.31Å; V364-L368 PolarHBondContact O-N 3.4Å; T365-L368 PolarHBondContact O-N 3.24Å; E366-L368 PolarHBondContact O-N 2.94Å; L368-L373 HydrophobicContact CD2-CD2 3.69Å; L368-V391 HydrophobicContact CD1-CG1 4.39Å; L368-V391 HydrophobicContact CD1-CG2 3.7Å; L368-V457 HydrophobicContact CD2-CG1 3.96Å; L368-Y465 HydrophobicContact CB-CD1 4.04Å; L368-Y465 HydrophobicContact CB-CD2 4.48Å; L368-Y465 HydrophobicContact CB-CE1 3.97Å; L368-Y465 HydrophobicContact CB-CE2 4.47Å; L368-Y465 HydrophobicContact CB-CG 4.29Å; L368-Y465 HydrophobicContact CD1-CD1 4.28Å; L368-Y465 HydrophobicContact CD1-CG 4.05Å; L368-Y465 HydrophobicContact CD2-CD1 3.98Å; L368-Y465 HydrophobicContact CD2-CE1 4.43Å; L368-Y465 HydrophobicContact CG-CD1 4.33Å; L368-Y465 WeakPolarHBondContact O-CE1 3.37Å; L368-Y465 PolarHBondContact O-OH 3.1Å |
| 369 | H | 92.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 54 Ų | 54 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -108.7 | -7.5 | -168.9 | -63.6 | -98.5 | 0 | 0 | 0 | 114.7 | Y295 T365 Y465 | Y295-H369 AromaticContact CZ-NE2 3.98Å; Y295-H369 PolarHBondContact OH-NE2 3.46Å; T365-H369 WeakPolarHBondContact O-CB 3.32Å; T365-H369 PolarHBondContact O-N 3.5Å; H369-Y465 AromaticContact CE1-CD2 3.72Å; H369-Y465 AromaticContact CE1-CE2 3.21Å; H369-Y465 WeakPolarHBondContact CE1-CE2 3.02Å; H369-Y465 AromaticContact ND1-CE2 3.56Å; H369-Y465 AromaticContact NE2-CD2 3.72Å; H369-Y465 AromaticContact NE2-CE2 3.53Å |
| 370 | H | 89.2 | Confident | 94.1 | Very high | 119 Ų | 119 | 53 Ų | 53 | 55% | 0.551 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 38.2 | -178.6 | -64.6 | -103 | 0 | 0 | 0 | 113.2 | E366 Q372 | E366-H370 WeakPolarHBondContact O-CB 3.32Å; E366-H370 PolarHBondContact O-N 2.96Å; E366-H370 VanDerWaalsContact O-N 3.16Å; H370-Q372 WeakPolarHBondContact O-CG 3.41Å; H370-Q372 PolarHBondContact O-N 2.74Å |
| 371 | D | 85.1 | Confident | 93.8 | Very high | 146 Ų | 146 | 56.7 Ų | 56.7 | 78% | 0.781 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 32.7 | 176.1 | -60.1 | -41.8 | 0 | 0 | 0 | 114.8 | Y374 | D371-Y374 WeakPolarHBondContact O-CE1 3.48Š|
| 372 | Q | 92.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 64.7 Ų | 64.7 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -113.4 | 21 | -176.6 | -75.5 | -178.1 | 1.8 | 0 | 0 | 114.2 | E366 I367 H370 Y374 K375 | E366-Q372 VanDerWaalsContact OE1-CD 3.27Å; E366-Q372 PolarHBondContact OE1-NE2 3.02Å; E366-Q372 PolarHBondContact OE1-OE1 2.86Å; I367-Q372 CarbonylContact O-C 3.51Å; I367-Q372 VanDerWaalsContact O-C 3.29Å; H370-Q372 WeakPolarHBondContact O-CG 3.41Å; H370-Q372 PolarHBondContact O-N 2.74Å; Q372-Y374 HydrophobicContact CB-CE1 4.33Å; Q372-Y374 HydrophobicContact CG-CE1 4.18Å; Q372-Y374 PolarHBondContact O-N 2.89Å; Q372-Y374 VanDerWaalsContact O-N 3.1Å; Q372-K375 HydrophobicContact CB-CD 4.03Å; Q372-K375 HydrophobicContact CB-CG 4.23Å; Q372-K375 HydrophobicContact CG-CD 4.32Å; Q372-K375 VanDerWaalsContact NE2-NZ 3.16Å; Q372-K375 VanDerWaalsContact O-CB 3.31Å; Q372-K375 WeakPolarHBondContact O-CB 3.41Å; Q372-K375 PolarHBondContact O-N 3.18Å | ||
| 373 | L | 93.2 | Very high | 93.3 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -55.2 | -31.8 | 177.5 | -70.4 | 179.7 | 0 | 0 | 0 | 112.5 | I367 L368 K375 I376 L451 V457 | I367-L373 PolarHBondContact O-N 2.91Å; L368-L373 HydrophobicContact CD2-CD2 3.69Å; L373-K375 PolarHBondContact O-N 3.37Å; L373-K375 VanDerWaalsContact O-N 3.14Å; L373-I376 HydrophobicContact CD2-CD1 4.17Å; L373-I376 VanDerWaalsContact O-CB 3.27Å; L373-I376 WeakPolarHBondContact O-CB 3.12Å; L373-I376 VanDerWaalsContact O-CG1 3.29Å; L373-I376 WeakPolarHBondContact O-CG1 3.29Å; L373-I376 PolarHBondContact O-N 3.01Å; L373-L451 HydrophobicContact CB-CD1 3.94Å; L373-L451 HydrophobicContact CB-CD2 4.4Å; L373-L451 WeakPolarHBondContact O-CD2 3.46Å; L373-V457 HydrophobicContact CD2-CB 4.46Å; L373-V457 HydrophobicContact CD2-CG1 4.15Å; L373-V457 HydrophobicContact CD2-CG2 4.23Å |
| 374 | Y | 92.2 | Very high | 93.2 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 57% | 0.569 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -57.2 | -27.1 | 176.4 | 69.1 | -93.4 | 0 | 0 | 0 | 113.2 | D371 Q372 I376 S377 | D371-Y374 WeakPolarHBondContact O-CE1 3.48Å; Q372-Y374 HydrophobicContact CB-CE1 4.33Å; Q372-Y374 HydrophobicContact CG-CE1 4.18Å; Q372-Y374 PolarHBondContact O-N 2.89Å; Q372-Y374 VanDerWaalsContact O-N 3.1Å; Y374-I376 PolarHBondContact O-N 3.28Å; Y374-I376 VanDerWaalsContact O-N 3.16Å; Y374-S377 WeakPolarHBondContact O-CB 3.43Å; Y374-S377 PolarHBondContact O-N 2.92Å; Y374-S377 VanDerWaalsContact O-N 3.13Å; Y374-S377 PolarHBondContact O-OG 2.99Å |
| 375 | K | 93.7 | Very high | 93 | Very high | 61 Ų | 61 | 66 Ų | 66 | 27% | 0.265 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -58.5 | -28.4 | 177 | -69.7 | -173.9 | 175.1 | 176 | 0 | 111.9 | E366 Q372 L373 S377 S378 M379 | E366-K375 IonicContact OE1-NZ 3.05Å; E366-K375 PolarHBondContact OE1-NZ 3Å; E366-K375 IonicContact OE2-NZ 3.81Å; Q372-K375 HydrophobicContact CB-CD 4.03Å; Q372-K375 HydrophobicContact CB-CG 4.23Å; Q372-K375 HydrophobicContact CG-CD 4.32Å; Q372-K375 VanDerWaalsContact NE2-NZ 3.16Å; Q372-K375 VanDerWaalsContact O-CB 3.31Å; Q372-K375 WeakPolarHBondContact O-CB 3.41Å; Q372-K375 PolarHBondContact O-N 3.18Å; L373-K375 PolarHBondContact O-N 3.37Å; L373-K375 VanDerWaalsContact O-N 3.14Å; K375-S377 PolarHBondContact O-N 3.24Å; K375-S378 PolarHBondContact O-N 3.04Å; K375-S378 PolarHBondContact O-OG 2.86Å; K375-M379 WeakPolarHBondContact O-CG 3.23Å; K375-M379 PolarHBondContact O-N 3.13Å |
| 376 | I | 94 | Very high | 92.9 | Very high | 3 Ų | 3 | 67.4 Ų | 67.4 | 2% | 0.015 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -57 | -32.2 | 178.6 | -61.9 | 178.1 | 0 | 0 | 0 | 112 | I367 L373 Y374 S378 M379 L384 L387 L451 V457 | I367-I376 HydrophobicContact CG2-CD1 3.91Å; I367-I376 HydrophobicContact CG2-CG1 3.75Å; L373-I376 HydrophobicContact CD2-CD1 4.17Å; L373-I376 VanDerWaalsContact O-CB 3.27Å; L373-I376 WeakPolarHBondContact O-CB 3.12Å; L373-I376 VanDerWaalsContact O-CG1 3.29Å; L373-I376 WeakPolarHBondContact O-CG1 3.29Å; L373-I376 PolarHBondContact O-N 3.01Å; Y374-I376 PolarHBondContact O-N 3.28Å; Y374-I376 VanDerWaalsContact O-N 3.16Å; I376-S378 PolarHBondContact O-N 2.8Å; I376-M379 HydrophobicContact CB-SD 4.29Å; I376-M379 HydrophobicContact CG1-SD 3.95Å; I376-M379 PolarHBondContact O-N 3.18Å; I376-L384 HydrophobicContact CG2-CD2 3.79Å; I376-L387 HydrophobicContact CD1-CD1 3.98Å; I376-L387 HydrophobicContact CG1-CD1 3.85Å; I376-L451 HydrophobicContact CB-CB 4.25Å; I376-L451 HydrophobicContact CD1-CD1 4.2Å; I376-L451 HydrophobicContact CG2-CB 4.13Å; I376-V457 HydrophobicContact CD1-CG2 3.48Å; I376-V457 VanDerWaalsContact CD1-CG2 3.48Å |
| 377 | S | 93 | Very high | 92.9 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -65.1 | -21.9 | 177.6 | 67.4 | 0 | 0 | 0 | 0 | 114.7 | Y374 K375 L451 | Y374-S377 WeakPolarHBondContact O-CB 3.43Å; Y374-S377 PolarHBondContact O-N 2.92Å; Y374-S377 VanDerWaalsContact O-N 3.13Å; Y374-S377 PolarHBondContact O-OG 2.99Å; K375-S377 PolarHBondContact O-N 3.24Å; S377-L451 WeakPolarHBondContact CA-O 3.34Å; S377-L451 WeakPolarHBondContact CB-O 3.36Å; S377-L451 PolarHBondContact N-O 3.4Å |
| 378 | S | 92.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 65.9 Ų | 65.9 | 67% | 0.671 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -107.4 | 1.3 | -179.5 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | K375 I376 | K375-S378 PolarHBondContact O-N 3.04Å; K375-S378 PolarHBondContact O-OG 2.86Å; I376-S378 PolarHBondContact O-N 2.8Å |
| 379 | M | 93.9 | Very high | 92.9 | Very high | 23 Ų | 23 | 73.6 Ų | 73.6 | 11% | 0.113 | 36% | 0.36 | C | S | . | . | trans | -74.1 | 140.1 | -177.8 | -76.3 | 171.9 | 83.3 | 0 | 0 | 111.4 | I367 K375 I376 E383 L384 M386 L387 | I367-M379 HydrophobicContact CD1-CE 3.81Å; I367-M379 HydrophobicContact CD1-SD 3.96Å; K375-M379 WeakPolarHBondContact O-CG 3.23Å; K375-M379 PolarHBondContact O-N 3.13Å; I376-M379 HydrophobicContact CB-SD 4.29Å; I376-M379 HydrophobicContact CG1-SD 3.95Å; I376-M379 PolarHBondContact O-N 3.18Å; M379-E383 HydrophobicContact CB-CB 3.88Å; M379-E383 HydrophobicContact CE-CB 3.57Å; M379-E383 HydrophobicContact CE-CG 4.47Å; M379-E383 WeakPolarHBondContact CE-O 3.34Å; M379-E383 HydrophobicContact CG-CB 4.17Å; M379-L384 HydrophobicContact CB-CD2 3.97Å; M379-L384 HydrophobicContact CB-CG 4.2Å; M379-M386 HydrophobicContact CE-CE 4.09Å; M379-L387 HydrophobicContact CE-CD1 3.44Å; M379-L387 VanDerWaalsContact CE-CD1 3.44Å; M379-L387 HydrophobicContact CE-CD2 4.35Å; M379-L387 HydrophobicContact CE-CG 3.62Å; M379-L387 HydrophobicContact SD-CD1 3.59Å; M379-L387 VanDerWaalsContact SD-CD1 3.59Å; M379-L387 HydrophobicContact SD-CG 4.42Å | ||
| 380 | S | 93.5 | Very high | 93 | Very high | 56 Ų | 56 | 71.5 Ų | 71.5 | 39% | 0.392 | 35% | 0.351 | S | S | . | . | trans | -66 | 161.2 | 170.7 | 61.7 | 0 | 0 | 0 | 0 | 111.7 | K382 E383 L384 | S380-K382 PolarHBondContact O-N 3.16Å; S380-E383 PolarHBondContact N-OE2 3.14Å; S380-E383 WeakPolarHBondContact O-CA 3.28Å; S380-E383 WeakPolarHBondContact O-CB 3.45Å; S380-E383 PolarHBondContact O-N 2.6Å; S380-E383 VanDerWaalsContact OG-CG 3.28Å; S380-E383 WeakPolarHBondContact OG-CG 3.45Å; S380-E383 PolarHBondContact OG-N 3.38Å; S380-E383 PolarHBondContact OG-OE2 2.87Å; S380-L384 PolarHBondContact O-N 3.16Å | ||
| 381 | E | 92 | Very high | 93.4 | Very high | 115 Ų | 115 | 66 Ų | 66 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -54 | -41.1 | 176.5 | -178.7 | 55.6 | -148.9 | 0 | 0 | 112.3 | E383 L384 Q385 | E381-E383 VanDerWaalsContact C-N 3.28Å; E381-E383 PolarHBondContact O-N 2.98Å; E381-L384 PolarHBondContact O-N 3.42Å; E381-Q385 WeakPolarHBondContact O-CB 3.43Å; E381-Q385 VanDerWaalsContact O-CG 3.28Å; E381-Q385 WeakPolarHBondContact O-CG 3.36Å; E381-Q385 PolarHBondContact O-N 2.99Å; E381-Q385 PolarHBondContact OE1-NE2 2.89Å |
| 382 | K | 92.7 | Very high | 93.8 | Very high | 169 Ų | 169 | 61.6 Ų | 61.6 | 74% | 0.735 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.6 | -36.1 | 176.1 | -175.6 | 178.8 | 178.1 | -178.4 | 0 | 112.4 | S380 M386 | S380-K382 PolarHBondContact O-N 3.16Å; K382-M386 PolarHBondContact O-N 2.99Å |
| 383 | E | 93.1 | Very high | 94 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76.5 | -36.8 | 178.7 | -74.3 | 175.2 | 118.6 | 0 | 0 | 112.3 | K363 M379 S380 E381 M386 L387 | K363-E383 IonicContact NZ-OE1 2.94Å; K363-E383 PolarHBondContact NZ-OE1 2.83Å; M379-E383 HydrophobicContact CB-CB 3.88Å; M379-E383 HydrophobicContact CE-CB 3.57Å; M379-E383 HydrophobicContact CE-CG 4.47Å; M379-E383 WeakPolarHBondContact CE-O 3.34Å; M379-E383 HydrophobicContact CG-CB 4.17Å; S380-E383 PolarHBondContact N-OE2 3.14Å; S380-E383 WeakPolarHBondContact O-CA 3.28Å; S380-E383 WeakPolarHBondContact O-CB 3.45Å; S380-E383 PolarHBondContact O-N 2.6Å; S380-E383 VanDerWaalsContact OG-CG 3.28Å; S380-E383 WeakPolarHBondContact OG-CG 3.45Å; S380-E383 PolarHBondContact OG-N 3.38Å; S380-E383 PolarHBondContact OG-OE2 2.87Å; E381-E383 VanDerWaalsContact C-N 3.28Å; E381-E383 PolarHBondContact O-N 2.98Å; E383-M386 WeakPolarHBondContact O-CB 3.44Å; E383-M386 PolarHBondContact O-N 3.45Å; E383-L387 PolarHBondContact O-N 3.37Å |
| 384 | L | 93.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 171.2 | -65.5 | 176.9 | 0 | 0 | 0 | 110.9 | I376 M379 S380 E381 M386 L387 Q388 L455 | I376-L384 HydrophobicContact CG2-CD2 3.79Å; M379-L384 HydrophobicContact CB-CD2 3.97Å; M379-L384 HydrophobicContact CB-CG 4.2Å; S380-L384 PolarHBondContact O-N 3.16Å; E381-L384 PolarHBondContact O-N 3.42Å; L384-M386 VanDerWaalsContact C-N 3.29Å; L384-M386 PolarHBondContact O-N 2.9Å; L384-L387 WeakPolarHBondContact O-CB 3.41Å; L384-L387 PolarHBondContact O-N 2.7Å; L384-Q388 PolarHBondContact O-N 3.3Å; L384-L455 HydrophobicContact CB-CD1 3.91Å; L384-L455 HydrophobicContact CD2-CD1 3.94Å; L384-L455 HydrophobicContact CG-CD1 4.49Å; L384-L455 WeakPolarHBondContact O-CD1 3.45Å |
| 385 | Q | 94 | Very high | 94.3 | Very high | 101 Ų | 101 | 61.7 Ų | 61.7 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 174 | -71.6 | 173.4 | 7.4 | 0 | 0 | 112.3 | E381 Q388 R389 | E381-Q385 WeakPolarHBondContact O-CB 3.43Å; E381-Q385 VanDerWaalsContact O-CG 3.28Å; E381-Q385 WeakPolarHBondContact O-CG 3.36Å; E381-Q385 PolarHBondContact O-N 2.99Å; E381-Q385 PolarHBondContact OE1-NE2 2.89Å; Q385-Q388 PolarHBondContact O-N 3.14Å; Q385-R389 WeakPolarHBondContact O-CB 3.44Å; Q385-R389 PolarHBondContact O-N 3.1Å |
| 386 | M | 94.5 | Very high | 94.4 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 172.9 | 177.3 | -78.7 | -64.8 | 0 | 0 | 111.3 | T360 K363 V364 M379 K382 E383 L384 Q388 R389 E390 | T360-M386 HydrophobicContact CG2-CG 3.95Å; T360-M386 HydrophobicContact CG2-SD 3.72Å; K363-M386 HydrophobicContact CD-CE 4.38Å; V364-M386 HydrophobicContact CG2-CE 4.09Å; V364-M386 HydrophobicContact CG2-SD 3.41Å; V364-M386 WeakPolarHBondContact CG2-SD 3.42Å; M379-M386 HydrophobicContact CE-CE 4.09Å; K382-M386 PolarHBondContact O-N 2.99Å; E383-M386 WeakPolarHBondContact O-CB 3.44Å; E383-M386 PolarHBondContact O-N 3.45Å; L384-M386 VanDerWaalsContact C-N 3.29Å; L384-M386 PolarHBondContact O-N 2.9Å; M386-Q388 VanDerWaalsContact C-N 3.34Å; M386-Q388 PolarHBondContact O-N 2.95Å; M386-R389 PolarHBondContact O-N 3.2Å; M386-E390 HydrophobicContact CG-CG 4.28Å; M386-E390 WeakPolarHBondContact O-CB 3.46Å; M386-E390 WeakPolarHBondContact O-CG 3.47Å; M386-E390 PolarHBondContact O-N 3.25Å; M386-E390 HydrophobicContact SD-CB 4.41Å; M386-E390 HydrophobicContact SD-CG 3.92Å |
| 387 | L | 95 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 175.5 | -76.5 | 177.3 | 0 | 0 | 0 | 112.1 | V364 I367 I376 M379 E383 L384 R389 E390 V391 L455 | V364-L387 HydrophobicContact CB-CD2 4.44Å; V364-L387 HydrophobicContact CG1-CD2 3.98Å; V364-L387 HydrophobicContact CG2-CD2 4.13Å; I367-L387 HydrophobicContact CD1-CD2 4.26Å; I376-L387 HydrophobicContact CD1-CD1 3.98Å; I376-L387 HydrophobicContact CG1-CD1 3.85Å; M379-L387 HydrophobicContact CE-CD1 3.44Å; M379-L387 VanDerWaalsContact CE-CD1 3.44Å; M379-L387 HydrophobicContact CE-CD2 4.35Å; M379-L387 HydrophobicContact CE-CG 3.62Å; M379-L387 HydrophobicContact SD-CD1 3.59Å; M379-L387 VanDerWaalsContact SD-CD1 3.59Å; M379-L387 HydrophobicContact SD-CG 4.42Å; E383-L387 PolarHBondContact O-N 3.37Å; L384-L387 WeakPolarHBondContact O-CB 3.41Å; L384-L387 PolarHBondContact O-N 2.7Å; L387-R389 VanDerWaalsContact C-N 3.28Å; L387-R389 PolarHBondContact O-N 2.87Å; L387-E390 PolarHBondContact O-N 3.21Å; L387-V391 WeakPolarHBondContact O-CB 3.21Å; L387-V391 WeakPolarHBondContact O-CG2 3.23Å; L387-V391 PolarHBondContact O-N 2.66Å; L387-L455 HydrophobicContact CB-CD1 4.49Å |
| 388 | Q | 94.7 | Very high | 94.4 | Very high | 50 Ų | 50 | 66.3 Ų | 66.3 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.1 | -34.4 | 179.1 | -174.9 | -177.5 | 6.1 | 0 | 0 | 112.7 | L384 Q385 M386 V391 S393 A469 | L384-Q388 PolarHBondContact O-N 3.3Å; Q385-Q388 PolarHBondContact O-N 3.14Å; M386-Q388 VanDerWaalsContact C-N 3.34Å; M386-Q388 PolarHBondContact O-N 2.95Å; Q388-V391 VanDerWaalsContact O-O 3.09Å; Q388-S393 WeakPolarHBondContact CG-OG 3.19Å; Q388-S393 WeakPolarHBondContact O-CB 3.27Å; Q388-S393 PolarHBondContact O-OG 3.13Å; Q388-A469 HydrophobicContact CG-CB 4.43Å |
| 389 | R | 94.6 | Very high | 94.4 | Very high | 165 Ų | 165 | 67 Ų | 67 | 62% | 0.623 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -75.9 | -39.4 | 176.4 | 175.9 | -178.5 | 161.4 | -169.1 | -7 | 112.2 | Q385 M386 L387 | Q385-R389 WeakPolarHBondContact O-CB 3.44Å; Q385-R389 PolarHBondContact O-N 3.1Å; M386-R389 PolarHBondContact O-N 3.2Å; L387-R389 VanDerWaalsContact C-N 3.28Å; L387-R389 PolarHBondContact O-N 2.87Å |
| 390 | E | 96.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 70.9 Ų | 70.9 | 3% | 0.028 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -82.1 | -31.2 | -173.5 | -72.1 | -65.9 | 129.7 | 0 | 0 | 112.7 | S293 S294 Y295 T360 V364 M386 L387 | S293-E390 WeakPolarHBondContact CB-O 3.47Å; S293-E390 WeakPolarHBondContact CB-OE2 3.27Å; S293-E390 PolarHBondContact OG-O 3.06Å; S294-E390 WeakPolarHBondContact CA-OE2 3.29Å; S294-E390 WeakPolarHBondContact CB-OE2 3.38Å; S294-E390 PolarHBondContact N-OE2 3.31Å; Y295-E390 WeakPolarHBondContact CD1-O 3.28Å; Y295-E390 PolarHBondContact N-OE2 2.87Å; T360-E390 HydrophobicContact CG2-CG 3.64Å; V364-E390 HydrophobicContact CG2-CB 3.96Å; V364-E390 HydrophobicContact CG2-CG 4.24Å; M386-E390 HydrophobicContact CG-CG 4.28Å; M386-E390 WeakPolarHBondContact O-CB 3.46Å; M386-E390 WeakPolarHBondContact O-CG 3.47Å; M386-E390 PolarHBondContact O-N 3.25Å; M386-E390 HydrophobicContact SD-CB 4.41Å; M386-E390 HydrophobicContact SD-CG 3.92Å; L387-E390 PolarHBondContact O-N 3.21Å |
| 391 | V | 96 | Very high | 93.6 | Very high | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -104.2 | 136.4 | -179.4 | -172.2 | 0 | 0 | 0 | 0 | 109 | Y295 V364 L368 L387 Q388 S393 I467 | Y295-V391 HydrophobicContact CD1-CG2 4.08Å; Y295-V391 HydrophobicContact CE1-CG1 4.35Å; Y295-V391 HydrophobicContact CE1-CG2 4.07Å; V364-V391 HydrophobicContact CG1-CG2 3.67Å; L368-V391 HydrophobicContact CD1-CG1 4.39Å; L368-V391 HydrophobicContact CD1-CG2 3.7Å; L387-V391 WeakPolarHBondContact O-CB 3.21Å; L387-V391 WeakPolarHBondContact O-CG2 3.23Å; L387-V391 PolarHBondContact O-N 2.66Å; Q388-V391 VanDerWaalsContact O-O 3.09Å; V391-S393 PolarHBondContact O-N 2.87Å; V391-S393 VanDerWaalsContact O-N 3.12Å; V391-I467 HydrophobicContact CB-CG1 3.69Å; V391-I467 HydrophobicContact CG1-CG1 3.81Å; V391-I467 HydrophobicContact CG2-CG1 4.32Å |
| 392 | P | 94.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 66.1 Ų | 66.1 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | trans | -50.4 | 123.5 | 176.2 | -27.3 | 35.1 | 0 | 0 | 0 | 111.3 | V296 R466 I467 | V296-P392 HydrophobicContact CG2-CG 4.03Å; P392-R466 HydrophobicContact CB-CG 4.36Å; P392-R466 CarbonylContact O-C 3.54Å; P392-R466 WeakPolarHBondContact O-CA 3.48Å; P392-R466 WeakPolarHBondContact O-CB 3.35Å; P392-I467 PolarHBondContact O-N 3.42Å | ||
| 393 | S | 95.6 | Very high | 93.9 | Very high | 47 Ų | 47 | 59 Ų | 59 | 33% | 0.329 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.8 | -168.8 | 64.3 | 0 | 0 | 0 | 0 | 113.1 | Q388 V391 I467 | Q388-S393 WeakPolarHBondContact CG-OG 3.19Å; Q388-S393 WeakPolarHBondContact O-CB 3.27Å; Q388-S393 PolarHBondContact O-OG 3.13Å; V391-S393 PolarHBondContact O-N 2.87Å; V391-S393 VanDerWaalsContact O-N 3.12Å; S393-I467 CarbonylContact C-O 3.6Å; S393-I467 WeakPolarHBondContact CA-O 3.45Å; S393-I467 WeakPolarHBondContact CB-O 3.4Å |
| 394 | V | 96.4 | Very high | 94.1 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 153.9 | 172.3 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | L396 I467 I468 A469 | V394-L396 HydrophobicContact CG2-CD1 4.09Å; V394-L396 HydrophobicContact CG2-CD2 4.33Å; V394-L396 HydrophobicContact CG2-CG 3.89Å; V394-I467 PolarHBondContact N-O 2.85Å; V394-I468 HydrophobicContact CG2-CG1 4.15Å; V394-A469 PolarHBondContact O-N 3.41Å |
| 395 | Q | 96.3 | Very high | 94.2 | Very high | 120 Ų | 120 | 57.4 Ų | 57.4 | 56% | 0.561 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.9 | 170.4 | -68.1 | -175.3 | -5.4 | 0 | 0 | 110.1 | A469 K471 | Q395-A469 VanDerWaalsContact CA-O 3.29Å; Q395-A469 WeakPolarHBondContact CA-O 3.46Å; Q395-A469 HydrophobicContact CG-CB 4.36Å; Q395-K471 HydrophobicContact CB-CG 4.42Å |
| 396 | L | 95 | Very high | 94.3 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 156.8 | 178.3 | -60 | -179.4 | 0 | 0 | 0 | 110.7 | V394 E410 I468 A469 W470 K471 | V394-L396 HydrophobicContact CG2-CD1 4.09Å; V394-L396 HydrophobicContact CG2-CD2 4.33Å; V394-L396 HydrophobicContact CG2-CG 3.89Å; L396-E410 HydrophobicContact CD1-CB 3.89Å; L396-E410 HydrophobicContact CD2-CB 3.96Å; L396-I468 HydrophobicContact CB-CG2 3.8Å; L396-I468 HydrophobicContact CD1-CD1 4.14Å; L396-I468 HydrophobicContact CD1-CG1 4.17Å; L396-I468 HydrophobicContact CD1-CG2 3.76Å; L396-I468 HydrophobicContact CG-CG2 3.89Å; L396-A469 PolarHBondContact N-O 3.38Å; L396-W470 HydrophobicContact CB-CE3 4.01Å; L396-W470 HydrophobicContact CB-CZ3 3.71Å; L396-W470 WeakPolarHBondContact O-CA 3.3Å; L396-K471 PolarHBondContact O-N 3.28Å |
| 397 | R | 94.1 | Very high | 94.4 | Very high | 191 Ų | 191 | 53.6 Ų | 53.6 | 72% | 0.721 | 27% | 0.271 | S | S | * | . | trans | -100.6 | 124.2 | 169.4 | -176.9 | 175.2 | -176.3 | 139.9 | 1.7 | 108.2 | Q399 | R397-Q399 PolarHBondContact O-N 2.86Š| ||
| 398 | F | 93.8 | Very high | 94.5 | Very high | 35 Ų | 35 | 53.6 Ų | 53.6 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | trans | -66.2 | 130 | 178.1 | -175.6 | -96 | 0 | 0 | 0 | 110.6 | V443 K445 A448 F449 W470 | F398-V443 WeakPolarHBondContact CZ-O 3.3Å; F398-K445 HydrophobicContact CE1-CG 3.69Å; F398-K445 HydrophobicContact CZ-CG 3.96Å; F398-A448 HydrophobicContact CD2-CB 4.06Å; F398-A448 HydrophobicContact CE2-CB 3.65Å; F398-F449 HydrophobicContact CB-CZ 3.99Å; F398-F449 HydrophobicContact CD1-CE2 4.28Å; F398-F449 HydrophobicContact CD1-CZ 4.31Å; F398-F449 HydrophobicContact CD2-CE2 4.34Å; F398-F449 HydrophobicContact CD2-CZ 4.05Å; F398-F449 HydrophobicContact CG-CE2 4.19Å; F398-F449 AromaticContact CG-CZ 3.84Å; F398-F449 HydrophobicContact CG-CZ 3.84Å; F398-W470 HydrophobicContact CB-CD2 4.3Å; F398-W470 HydrophobicContact CB-CE3 3.75Å; F398-W470 HydrophobicContact CB-CZ3 3.94Å; F398-W470 HydrophobicContact CD2-CE3 4.49Å; F398-W470 AromaticContact CD2-CH2 3.99Å; F398-W470 HydrophobicContact CD2-CH2 3.99Å; F398-W470 HydrophobicContact CD2-CZ2 4.27Å; F398-W470 HydrophobicContact CD2-CZ3 4.11Å | ||
| 399 | Q | 91.8 | Very high | 94.5 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 28% | 0.275 | S | S | . | . | trans | -124.9 | 132.1 | 175 | -62.8 | -177.4 | 5.9 | 0 | 0 | 108.9 | R397 A401 M402 | R397-Q399 PolarHBondContact O-N 2.86Å; Q399-A401 PolarHBondContact O-N 3.46Å; Q399-M402 VanDerWaalsContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CB 3.42Å; Q399-M402 PolarHBondContact O-N 2.6Å | ||
| 400 | P | 83.5 | Confident | 94.6 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 68% | 0.675 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.1 | -177.9 | -27.4 | 35 | 0 | 0 | 0 | 115.1 | ||
| 401 | A | 87.6 | Confident | 94.5 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 6.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q399 S403 | Q399-A401 PolarHBondContact O-N 3.46Å; A401-S403 PolarHBondContact O-N 2.72Å |
| 402 | M | 93.4 | Very high | 94.3 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | trans | -68 | 119.6 | -177.9 | -167.6 | 176.9 | -84.8 | 0 | 0 | 110.2 | Q399 N406 V407 V443 W470 | Q399-M402 VanDerWaalsContact O-CB 3.27Å; Q399-M402 WeakPolarHBondContact O-CB 3.42Å; Q399-M402 PolarHBondContact O-N 2.6Å; M402-N406 HydrophobicContact CG-CB 3.7Å; M402-V407 HydrophobicContact CG-CG2 3.78Å; M402-V407 HydrophobicContact SD-CG2 3.52Å; M402-V407 VanDerWaalsContact SD-CG2 3.52Å; M402-V443 PolarHBondContact O-N 2.93Å; M402-W470 HydrophobicContact SD-CH2 4.2Å; M402-W470 HydrophobicContact SD-CZ3 4.39Å | ||
| 403 | S | 96.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -76.9 | 161.2 | 177 | 67 | 0 | 0 | 0 | 0 | 111.6 | A401 F405 N406 V407 P439 M441 | A401-S403 PolarHBondContact O-N 2.72Å; S403-F405 PolarHBondContact O-N 2.92Å; S403-N406 PolarHBondContact O-N 2.85Å; S403-N406 VanDerWaalsContact O-N 3.08Å; S403-N406 VanDerWaalsContact OG-CG 3.23Å; S403-N406 PolarHBondContact OG-N 3.23Å; S403-N406 VanDerWaalsContact OG-N 3.09Å; S403-N406 PolarHBondContact OG-OD1 2.92Å; S403-V407 PolarHBondContact O-N 3.22Å; S403-P439 WeakPolarHBondContact CB-O 3.29Å; S403-M441 CarbonylContact C-O 3.54Å; S403-M441 VanDerWaalsContact CA-O 3.29Å; S403-M441 WeakPolarHBondContact CA-O 3.19Å |
| 404 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.2 | -39.8 | 170.5 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | V407 A408 I424 F429 I431 V436 D438 P439 M441 V443 | V404-V407 PolarHBondContact O-N 3.3Å; V404-A408 VanDerWaalsContact O-CB 3.29Å; V404-A408 WeakPolarHBondContact O-CB 3.2Å; V404-A408 PolarHBondContact O-N 3.26Å; V404-I424 HydrophobicContact CG1-CD1 4.29Å; V404-I424 HydrophobicContact CG1-CG2 3.98Å; V404-F429 HydrophobicContact CG1-CD1 3.95Å; V404-F429 HydrophobicContact CG1-CE1 4.2Å; V404-I431 HydrophobicContact CG2-CD1 4.37Å; V404-V436 HydrophobicContact CG1-CB 4.14Å; V404-V436 HydrophobicContact CG1-CG2 3.56Å; V404-V436 HydrophobicContact CG2-CB 4.27Å; V404-V436 HydrophobicContact CG2-CG1 4.44Å; V404-V436 HydrophobicContact CG2-CG2 4.42Å; V404-D438 WeakPolarHBondContact CB-O 3.37Å; V404-P439 PolarHBondContact N-O 2.78Å; V404-M441 HydrophobicContact CG2-CB 4.05Å; V404-M441 HydrophobicContact CG2-CG 4.41Å; V404-M441 PolarHBondContact N-O 3.39Å; V404-V443 HydrophobicContact CB-CG2 4.39Å; V404-V443 HydrophobicContact CG2-CG2 3.7Å |
| 405 | F | 97.3 | Very high | 93.9 | Very high | 37 Ų | 37 | 53 Ų | 53 | 16% | 0.162 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 173.5 | 170.2 | -102.6 | 0 | 0 | 0 | 111.8 | S403 V407 A408 F409 P417 A420 H421 P439 | S403-F405 PolarHBondContact O-N 2.92Å; F405-V407 PolarHBondContact O-N 3.25Å; F405-A408 PolarHBondContact O-N 3.48Å; F405-F409 HydrophobicContact CE2-CB 4.28Å; F405-F409 HydrophobicContact CE2-CD2 4.17Å; F405-F409 HydrophobicContact CE2-CG 4.41Å; F405-F409 HydrophobicContact CZ-CB 4.2Å; F405-F409 HydrophobicContact CZ-CD2 4.14Å; F405-F409 HydrophobicContact CZ-CG 4.13Å; F405-F409 VanDerWaalsContact O-CB 3.3Å; F405-F409 WeakPolarHBondContact O-CB 3.36Å; F405-F409 PolarHBondContact O-N 2.88Å; F405-P417 HydrophobicContact CE2-CB 4.12Å; F405-P417 HydrophobicContact CZ-CB 3.97Å; F405-A420 HydrophobicContact CD2-CB 4.12Å; F405-A420 HydrophobicContact CE2-CB 3.93Å; F405-H421 AromaticContact CD2-CE1 3.22Å; F405-H421 WeakPolarHBondContact CD2-CE1 3.43Å; F405-H421 AromaticContact CD2-ND1 3.53Å; F405-H421 AromaticContact CD2-NE2 3.81Å; F405-H421 AromaticContact CE2-CE1 3.29Å; F405-H421 WeakPolarHBondContact CE2-CE1 3.48Å; F405-H421 AromaticContact CE2-ND1 3.5Å; F405-H421 AromaticContact CG-CE1 3.66Å; F405-H421 AromaticContact CG-NE2 3.92Å; F405-H421 AromaticContact CZ-CE1 3.81Å; F405-P439 HydrophobicContact CB-CB 4.04Å; F405-P439 WeakPolarHBondContact CB-O 3.36Å; F405-P439 PolarHBondContact N-O 2.68Å |
| 406 | N | 96.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 31% | 0.305 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 179.2 | -67.5 | -2.8 | 0 | 0 | 0 | 110.9 | M402 S403 A408 F409 E410 | M402-N406 HydrophobicContact CG-CB 3.7Å; S403-N406 PolarHBondContact O-N 2.85Å; S403-N406 VanDerWaalsContact O-N 3.08Å; S403-N406 VanDerWaalsContact OG-CG 3.23Å; S403-N406 PolarHBondContact OG-N 3.23Å; S403-N406 VanDerWaalsContact OG-N 3.09Å; S403-N406 PolarHBondContact OG-OD1 2.92Å; N406-A408 VanDerWaalsContact C-N 3.34Å; N406-A408 PolarHBondContact O-N 3.18Å; N406-F409 PolarHBondContact O-N 2.99Å; N406-E410 WeakPolarHBondContact O-CB 3.43Å; N406-E410 WeakPolarHBondContact O-CG 3.4Å; N406-E410 PolarHBondContact O-N 3.42Å |
| 407 | V | 96.2 | Very high | 93.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | M402 S403 V404 F405 S411 I431 V443 V458 I468 | M402-V407 HydrophobicContact CG-CG2 3.78Å; M402-V407 HydrophobicContact SD-CG2 3.52Å; M402-V407 VanDerWaalsContact SD-CG2 3.52Å; S403-V407 PolarHBondContact O-N 3.22Å; V404-V407 PolarHBondContact O-N 3.3Å; F405-V407 PolarHBondContact O-N 3.25Å; V407-S411 WeakPolarHBondContact O-CB 3.36Å; V407-S411 PolarHBondContact O-N 3.39Å; V407-S411 PolarHBondContact O-OG 3.26Å; V407-I431 HydrophobicContact CG1-CD1 4.07Å; V407-V443 HydrophobicContact CB-CG2 4.46Å; V407-V443 HydrophobicContact CG2-CB 4.21Å; V407-V443 HydrophobicContact CG2-CG1 4.49Å; V407-V443 HydrophobicContact CG2-CG2 3.76Å; V407-V458 HydrophobicContact CG1-CG1 4.02Å; V407-I468 HydrophobicContact CG1-CD1 3.58Å |
| 408 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V404 F405 N406 S411 C413 F414 I424 F429 | V404-A408 VanDerWaalsContact O-CB 3.29Å; V404-A408 WeakPolarHBondContact O-CB 3.2Å; V404-A408 PolarHBondContact O-N 3.26Å; F405-A408 PolarHBondContact O-N 3.48Å; N406-A408 VanDerWaalsContact C-N 3.34Å; N406-A408 PolarHBondContact O-N 3.18Å; A408-S411 PolarHBondContact O-OG 3.48Å; A408-C413 WeakPolarHBondContact O-CB 3.05Å; A408-C413 PolarHBondContact O-N 3.44Å; A408-F414 HydrophobicContact CB-CD2 3.99Å; A408-F414 HydrophobicContact CB-CE2 3.94Å; A408-I424 HydrophobicContact CB-CD1 3.83Å; A408-F429 HydrophobicContact CB-CD1 4.07Å; A408-F429 HydrophobicContact CB-CD2 4.24Å; A408-F429 HydrophobicContact CB-CE1 3.65Å; A408-F429 HydrophobicContact CB-CE2 3.82Å; A408-F429 HydrophobicContact CB-CG 4.38Å; A408-F429 HydrophobicContact CB-CZ 3.51Å |
| 409 | F | 95.7 | Very high | 94 | Very high | 70 Ų | 70 | 51.2 Ų | 51.2 | 31% | 0.307 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -78.6 | -48.5 | -177.5 | -161.6 | -97.3 | 0 | 0 | 0 | 111.7 | F405 N406 S411 G412 F414 P417 | F405-F409 HydrophobicContact CE2-CB 4.28Å; F405-F409 HydrophobicContact CE2-CD2 4.17Å; F405-F409 HydrophobicContact CE2-CG 4.41Å; F405-F409 HydrophobicContact CZ-CB 4.2Å; F405-F409 HydrophobicContact CZ-CD2 4.14Å; F405-F409 HydrophobicContact CZ-CG 4.13Å; F405-F409 VanDerWaalsContact O-CB 3.3Å; F405-F409 WeakPolarHBondContact O-CB 3.36Å; F405-F409 PolarHBondContact O-N 2.88Å; N406-F409 PolarHBondContact O-N 2.99Å; F409-S411 VanDerWaalsContact C-N 3.31Å; F409-S411 PolarHBondContact O-N 3.19Å; F409-G412 WeakPolarHBondContact O-CA 2.94Å; F409-G412 PolarHBondContact O-N 2.93Å; F409-F414 HydrophobicContact CD2-CB 4.23Å; F409-P417 HydrophobicContact CE2-CB 4.44Å; F409-P417 HydrophobicContact CE2-CG 3.76Å; F409-P417 HydrophobicContact CZ-CG 3.98Å |
| 410 | E | 95.6 | Very high | 94.2 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.7 | -27.5 | 178.9 | -66.3 | -178.6 | -159.7 | 0 | 0 | 112.7 | L396 N406 G412 | L396-E410 HydrophobicContact CD1-CB 3.89Å; L396-E410 HydrophobicContact CD2-CB 3.96Å; N406-E410 WeakPolarHBondContact O-CB 3.43Å; N406-E410 WeakPolarHBondContact O-CG 3.4Å; N406-E410 PolarHBondContact O-N 3.42Å; E410-G412 PolarHBondContact O-N 2.91Å |
| 411 | S | 94.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.7 | 167.5 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | V407 A408 F409 C413 R466 | V407-S411 WeakPolarHBondContact O-CB 3.36Å; V407-S411 PolarHBondContact O-N 3.39Å; V407-S411 PolarHBondContact O-OG 3.26Å; A408-S411 PolarHBondContact O-OG 3.48Å; F409-S411 VanDerWaalsContact C-N 3.31Å; F409-S411 PolarHBondContact O-N 3.19Å; S411-C413 VanDerWaalsContact C-N 3.35Å; S411-C413 PolarHBondContact OG-SG 3.25Å; S411-R466 WeakPolarHBondContact O-CD 3.42Å; S411-R466 PolarHBondContact O-NH1 3.18Å |
| 412 | G | 92.5 | Very high | 95.4 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 24.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | F409 E410 F414 R466 | F409-G412 WeakPolarHBondContact O-CA 2.94Å; F409-G412 PolarHBondContact O-N 2.93Å; E410-G412 PolarHBondContact O-N 2.91Å; G412-F414 PolarHBondContact O-N 3.48Å; G412-R466 VanDerWaalsContact C-CZ 3.47Å; G412-R466 VanDerWaalsContact CA-NH1 3.26Å; G412-R466 PolarHBondContact O-NE 3.02Å; G412-R466 PolarHBondContact O-NH1 3Å; G412-R466 PolarHBondContact O-NH2 3.32Å |
| 413 | C | 93.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 48.6 Ų | 48.6 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -69 | -23.1 | 170.7 | -65.1 | 0 | 0 | 0 | 0 | 112 | A408 S411 F429 L460 | A408-C413 WeakPolarHBondContact O-CB 3.05Å; A408-C413 PolarHBondContact O-N 3.44Å; S411-C413 VanDerWaalsContact C-N 3.35Å; S411-C413 PolarHBondContact OG-SG 3.25Å; C413-F429 HydrophobicContact CB-CE2 4.33Å; C413-L460 HydrophobicContact CB-CD2 4.44Å; C413-L460 WeakPolarHBondContact O-CD2 3.29Å |
| 414 | F | 93.7 | Very high | 95.6 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 9% | 0.088 | 25% | 0.252 | C | S | . | . | trans | -134 | 145.6 | -178.4 | -59.2 | -84.1 | 0 | 0 | 0 | 110.4 | A408 F409 G412 V419 A420 V423 F429 L460 | A408-F414 HydrophobicContact CB-CD2 3.99Å; A408-F414 HydrophobicContact CB-CE2 3.94Å; F409-F414 HydrophobicContact CD2-CB 4.23Å; G412-F414 PolarHBondContact O-N 3.48Å; F414-V419 HydrophobicContact CD1-CG1 4.23Å; F414-V419 HydrophobicContact CE1-CG1 4.42Å; F414-A420 HydrophobicContact CB-CB 3.73Å; F414-A420 HydrophobicContact CD1-CB 3.93Å; F414-A420 HydrophobicContact CD2-CB 3.72Å; F414-A420 HydrophobicContact CE1-CB 4.44Å; F414-A420 HydrophobicContact CE2-CB 4.27Å; F414-A420 HydrophobicContact CG-CB 3.52Å; F414-V423 HydrophobicContact CE1-CB 3.84Å; F414-V423 HydrophobicContact CE1-CG1 4.11Å; F414-V423 HydrophobicContact CE1-CG2 4.11Å; F414-V423 HydrophobicContact CZ-CB 3.94Å; F414-V423 HydrophobicContact CZ-CG1 3.93Å; F414-F429 HydrophobicContact CE2-CD2 4.13Å; F414-L460 HydrophobicContact CD1-CD2 4.48Å; F414-L460 HydrophobicContact CE1-CD1 3.76Å; F414-L460 HydrophobicContact CE1-CD2 3.99Å; F414-L460 HydrophobicContact CE2-CD1 4.21Å; F414-L460 HydrophobicContact CZ-CD1 3.35Å; F414-L460 HydrophobicContact CZ-CD2 4.1Å; F414-L460 HydrophobicContact CZ-CG 4.32Å | ||
| 415 | S | 90.3 | Very high | 95.6 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 83% | 0.825 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -107.1 | -16.5 | 169 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | ||
| 416 | D | 95.1 | Very high | 95.6 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | trans | -113.3 | 116.4 | -179.3 | 179.2 | -26.9 | 0 | 0 | 0 | 109.2 | E418 V419 A420 | D416-E418 VanDerWaalsContact C-N 3.33Å; D416-E418 PolarHBondContact O-N 3.28Å; D416-E418 WeakPolarHBondContact OD1-CB 3.26Å; D416-E418 PolarHBondContact OD1-N 2.67Å; D416-V419 HydrophobicContact CB-CB 3.97Å; D416-V419 HydrophobicContact CB-CG2 3.88Å; D416-V419 PolarHBondContact O-N 3.18Å; D416-V419 PolarHBondContact OD1-N 3.35Å; D416-V419 WeakPolarHBondContact OD2-CG2 3.32Å; D416-A420 PolarHBondContact O-N 2.97Å | ||
| 417 | P | 95.7 | Very high | 95.6 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.1 | -37.9 | 178.7 | -27 | 35.7 | 0 | 0 | 0 | 114.6 | F405 F409 A420 H421 | F405-P417 HydrophobicContact CE2-CB 4.12Å; F405-P417 HydrophobicContact CZ-CB 3.97Å; F409-P417 HydrophobicContact CE2-CB 4.44Å; F409-P417 HydrophobicContact CE2-CG 3.76Å; F409-P417 HydrophobicContact CZ-CG 3.98Å; P417-A420 WeakPolarHBondContact O-CB 3.43Å; P417-A420 PolarHBondContact O-N 3.12Å; P417-H421 PolarHBondContact O-N 2.91Å; P417-H421 VanDerWaalsContact O-N 3.08Å; P417-H421 PolarHBondContact O-ND1 3.37Å |
| 418 | E | 96.6 | Very high | 95.6 | Very high | 160 Ų | 160 | 58.5 Ų | 58.5 | 75% | 0.748 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70.5 | -41.3 | -178.5 | -63.6 | -168.8 | 165.3 | 0 | 0 | 110.8 | D416 A420 H421 R422 | D416-E418 VanDerWaalsContact C-N 3.33Å; D416-E418 PolarHBondContact O-N 3.28Å; D416-E418 WeakPolarHBondContact OD1-CB 3.26Å; D416-E418 PolarHBondContact OD1-N 2.67Å; E418-A420 VanDerWaalsContact C-N 3.32Å; E418-A420 PolarHBondContact O-N 3.48Å; E418-H421 PolarHBondContact O-N 2.92Å; E418-R422 WeakPolarHBondContact O-CB 3.41Å; E418-R422 PolarHBondContact O-N 2.9Å |
| 419 | V | 95.3 | Very high | 95.7 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62 | -42 | 173.8 | 175.5 | 0 | 0 | 0 | 0 | 110.7 | F414 D416 R422 V423 | F414-V419 HydrophobicContact CD1-CG1 4.23Å; F414-V419 HydrophobicContact CE1-CG1 4.42Å; D416-V419 HydrophobicContact CB-CB 3.97Å; D416-V419 HydrophobicContact CB-CG2 3.88Å; D416-V419 PolarHBondContact O-N 3.18Å; D416-V419 PolarHBondContact OD1-N 3.35Å; D416-V419 WeakPolarHBondContact OD2-CG2 3.32Å; V419-R422 PolarHBondContact O-N 3.34Å; V419-V423 HydrophobicContact CG1-CG2 4.11Å; V419-V423 WeakPolarHBondContact O-CB 3.08Å; V419-V423 VanDerWaalsContact O-CG2 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.5Å; V419-V423 PolarHBondContact O-N 3.39Å |
| 420 | A | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -52.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F405 F414 D416 P417 E418 R422 V423 I424 | F405-A420 HydrophobicContact CD2-CB 4.12Å; F405-A420 HydrophobicContact CE2-CB 3.93Å; F414-A420 HydrophobicContact CB-CB 3.73Å; F414-A420 HydrophobicContact CD1-CB 3.93Å; F414-A420 HydrophobicContact CD2-CB 3.72Å; F414-A420 HydrophobicContact CE1-CB 4.44Å; F414-A420 HydrophobicContact CE2-CB 4.27Å; F414-A420 HydrophobicContact CG-CB 3.52Å; D416-A420 PolarHBondContact O-N 2.97Å; P417-A420 WeakPolarHBondContact O-CB 3.43Å; P417-A420 PolarHBondContact O-N 3.12Å; E418-A420 VanDerWaalsContact C-N 3.32Å; E418-A420 PolarHBondContact O-N 3.48Å; A420-R422 VanDerWaalsContact C-N 3.34Å; A420-R422 PolarHBondContact O-N 3.4Å; A420-V423 PolarHBondContact O-N 2.76Å; A420-I424 WeakPolarHBondContact O-CB 3.32Å; A420-I424 WeakPolarHBondContact O-CD1 3.23Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 2.86Å |
| 421 | H | 97.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 178 | -77.2 | 86.6 | 0 | 0 | 0 | 112.2 | F405 P417 E418 R425 | F405-H421 AromaticContact CD2-CE1 3.22Å; F405-H421 WeakPolarHBondContact CD2-CE1 3.43Å; F405-H421 AromaticContact CD2-ND1 3.53Å; F405-H421 AromaticContact CD2-NE2 3.81Å; F405-H421 AromaticContact CE2-CE1 3.29Å; F405-H421 WeakPolarHBondContact CE2-CE1 3.48Å; F405-H421 AromaticContact CE2-ND1 3.5Å; F405-H421 AromaticContact CG-CE1 3.66Å; F405-H421 AromaticContact CG-NE2 3.92Å; F405-H421 AromaticContact CZ-CE1 3.81Å; P417-H421 PolarHBondContact O-N 2.91Å; P417-H421 VanDerWaalsContact O-N 3.08Å; P417-H421 PolarHBondContact O-ND1 3.37Å; E418-H421 PolarHBondContact O-N 2.92Å; H421-R425 WeakPolarHBondContact O-CB 3.43Å; H421-R425 WeakPolarHBondContact O-CG 3.48Å; H421-R425 PolarHBondContact O-N 2.81Å |
| 422 | R | 97.2 | Very high | 95.9 | Very high | 142 Ų | 142 | 53.6 Ų | 53.6 | 54% | 0.536 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 179.7 | -178.1 | 179.3 | 62.8 | 166.3 | -2.6 | 111.8 | E418 V419 A420 R425 Q426 | E418-R422 WeakPolarHBondContact O-CB 3.41Å; E418-R422 PolarHBondContact O-N 2.9Å; V419-R422 PolarHBondContact O-N 3.34Å; A420-R422 VanDerWaalsContact C-N 3.34Å; A420-R422 PolarHBondContact O-N 3.4Å; R422-R425 PolarHBondContact O-N 2.93Å; R422-Q426 VanDerWaalsContact O-CG 3.3Å; R422-Q426 WeakPolarHBondContact O-CG 3.15Å; R422-Q426 PolarHBondContact O-N 3.11Å |
| 423 | V | 96.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 17% | 0.17 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.9 | -38 | -176.8 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | F414 V419 A420 Q426 G427 G428 L460 | F414-V423 HydrophobicContact CE1-CB 3.84Å; F414-V423 HydrophobicContact CE1-CG1 4.11Å; F414-V423 HydrophobicContact CE1-CG2 4.11Å; F414-V423 HydrophobicContact CZ-CB 3.94Å; F414-V423 HydrophobicContact CZ-CG1 3.93Å; V419-V423 HydrophobicContact CG1-CG2 4.11Å; V419-V423 WeakPolarHBondContact O-CB 3.08Å; V419-V423 VanDerWaalsContact O-CG2 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.5Å; V419-V423 PolarHBondContact O-N 3.39Å; A420-V423 PolarHBondContact O-N 2.76Å; V423-Q426 PolarHBondContact O-N 2.9Å; V423-G427 PolarHBondContact O-N 2.84Å; V423-G428 PolarHBondContact O-N 3.38Å; V423-L460 HydrophobicContact CG1-CD1 3.6Å |
| 424 | I | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -48.7 | 173.4 | -66.7 | 161.1 | 0 | 0 | 0 | 109.8 | V404 A408 A420 Q426 G427 F429 V437 P439 | V404-I424 HydrophobicContact CG1-CD1 4.29Å; V404-I424 HydrophobicContact CG1-CG2 3.98Å; A408-I424 HydrophobicContact CB-CD1 3.83Å; A420-I424 WeakPolarHBondContact O-CB 3.32Å; A420-I424 WeakPolarHBondContact O-CD1 3.23Å; A420-I424 WeakPolarHBondContact O-CG1 3.49Å; A420-I424 PolarHBondContact O-N 2.86Å; I424-Q426 VanDerWaalsContact C-N 3.27Å; I424-Q426 PolarHBondContact O-N 2.98Å; I424-G427 VanDerWaalsContact O-CA 3.25Å; I424-G427 WeakPolarHBondContact O-CA 3.18Å; I424-G427 PolarHBondContact O-N 3.37Å; I424-F429 HydrophobicContact CG1-CB 3.79Å; I424-F429 HydrophobicContact CG1-CD1 4.3Å; I424-F429 HydrophobicContact CG1-CG 4.17Å; I424-V437 WeakPolarHBondContact O-CA 3.43Å; I424-P439 HydrophobicContact CB-CG 4.02Å; I424-P439 HydrophobicContact CD1-CB 4.29Å; I424-P439 HydrophobicContact CG2-CB 4.19Å; I424-P439 HydrophobicContact CG2-CG 3.75Å |
| 425 | R | 97.8 | Very high | 96.2 | Very high | 172 Ų | 172 | 64.2 Ų | 64.2 | 65% | 0.649 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.7 | -33.1 | 177.9 | -73.8 | 176.7 | -178.5 | 158.8 | 1.7 | 113.8 | H421 R422 G427 V437 P439 | H421-R425 WeakPolarHBondContact O-CB 3.43Å; H421-R425 WeakPolarHBondContact O-CG 3.48Å; H421-R425 PolarHBondContact O-N 2.81Å; R422-R425 PolarHBondContact O-N 2.93Å; R425-G427 PolarHBondContact O-N 2.94Å; R425-V437 WeakPolarHBondContact CA-O 3.38Å; R425-P439 HydrophobicContact CG-CG 3.9Å |
| 426 | Q | 97 | Very high | 96.5 | Very high | 130 Ų | 130 | 59 Ų | 59 | 61% | 0.607 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -4.3 | 172.6 | -68.8 | 172 | -8.6 | 0 | 0 | 112.6 | R422 V423 I424 R435 | R422-Q426 VanDerWaalsContact O-CG 3.3Å; R422-Q426 WeakPolarHBondContact O-CG 3.15Å; R422-Q426 PolarHBondContact O-N 3.11Å; V423-Q426 PolarHBondContact O-N 2.9Å; I424-Q426 VanDerWaalsContact C-N 3.27Å; I424-Q426 PolarHBondContact O-N 2.98Å; Q426-R435 PolarHBondContact O-NH2 2.98Å |
| 427 | G | 96.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 34.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V423 I424 R425 F429 Y430 R435 | V423-G427 PolarHBondContact O-N 2.84Å; I424-G427 VanDerWaalsContact O-CA 3.25Å; I424-G427 WeakPolarHBondContact O-CA 3.18Å; I424-G427 PolarHBondContact O-N 3.37Å; R425-G427 PolarHBondContact O-N 2.94Å; G427-F429 VanDerWaalsContact C-N 3.31Å; G427-Y430 PolarHBondContact O-OH 2.99Å; G427-R435 PolarHBondContact O-NE 2.89Å |
| 428 | G | 96.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | -85.4 | 2.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | V423 G461 | V423-G428 PolarHBondContact O-N 3.38Å; G428-G461 PolarHBondContact O-N 2.78Å | ||
| 429 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 140.3 | -179.2 | -168.7 | -113.3 | 0 | 0 | 0 | 111.6 | V404 A408 C413 F414 I424 G427 I431 V436 V458 R459 | V404-F429 HydrophobicContact CG1-CD1 3.95Å; V404-F429 HydrophobicContact CG1-CE1 4.2Å; A408-F429 HydrophobicContact CB-CD1 4.07Å; A408-F429 HydrophobicContact CB-CD2 4.24Å; A408-F429 HydrophobicContact CB-CE1 3.65Å; A408-F429 HydrophobicContact CB-CE2 3.82Å; A408-F429 HydrophobicContact CB-CG 4.38Å; A408-F429 HydrophobicContact CB-CZ 3.51Å; C413-F429 HydrophobicContact CB-CE2 4.33Å; F414-F429 HydrophobicContact CE2-CD2 4.13Å; I424-F429 HydrophobicContact CG1-CB 3.79Å; I424-F429 HydrophobicContact CG1-CD1 4.3Å; I424-F429 HydrophobicContact CG1-CG 4.17Å; G427-F429 VanDerWaalsContact C-N 3.31Å; F429-I431 HydrophobicContact CD1-CG1 4.32Å; F429-I431 HydrophobicContact CE1-CD1 4.03Å; F429-I431 HydrophobicContact CE1-CG1 3.67Å; F429-I431 HydrophobicContact CZ-CG1 4.35Å; F429-V436 HydrophobicContact CB-CG2 4.32Å; F429-V436 HydrophobicContact CD1-CG2 3.46Å; F429-V436 VanDerWaalsContact CD1-CG2 3.46Å; F429-V436 HydrophobicContact CE1-CG2 4.23Å; F429-V436 HydrophobicContact CG-CG2 4.32Å; F429-V436 PolarHBondContact O-N 3.37Å; F429-V436 VanDerWaalsContact O-N 3.09Å; F429-V458 HydrophobicContact CE2-CB 3.94Å; F429-V458 HydrophobicContact CE2-CG2 4.49Å; F429-V458 HydrophobicContact CZ-CB 3.75Å; F429-V458 HydrophobicContact CZ-CG1 3.88Å; F429-V458 HydrophobicContact CZ-CG2 4.49Å; F429-R459 WeakPolarHBondContact CA-O 3.33Å |
| 430 | Y | 97.2 | Very high | 96.7 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 141.8 | -177.2 | -54.3 | -108.7 | 0 | 0 | 0 | 110.4 | G427 H434 R435 V458 R459 | G427-Y430 PolarHBondContact O-OH 2.99Å; Y430-H434 CarbonylContact C-O 3.48Å; Y430-H434 WeakPolarHBondContact CA-O 3.46Å; Y430-R435 HydrophobicContact CD1-CB 3.8Å; Y430-R435 HydrophobicContact CD1-CG 4.32Å; Y430-R435 HydrophobicContact CE1-CB 3.59Å; Y430-R435 HydrophobicContact CE1-CG 3.83Å; Y430-V458 WeakPolarHBondContact O-CA 3.29Å; Y430-R459 VanDerWaalsContact CE1-NH2 3.33Å; Y430-R459 PolarHBondContact N-O 3.22Å; Y430-R459 PolarHBondContact O-N 2.91Å |
| 431 | I | 97.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.2 | 173.7 | -58 | 178.1 | 0 | 0 | 0 | 107.4 | V404 V407 F429 G433 H434 V436 V443 L447 T456 V458 | V404-I431 HydrophobicContact CG2-CD1 4.37Å; V407-I431 HydrophobicContact CG1-CD1 4.07Å; F429-I431 HydrophobicContact CD1-CG1 4.32Å; F429-I431 HydrophobicContact CE1-CD1 4.03Å; F429-I431 HydrophobicContact CE1-CG1 3.67Å; F429-I431 HydrophobicContact CZ-CG1 4.35Å; I431-G433 PolarHBondContact O-N 3.41Å; I431-G433 VanDerWaalsContact O-N 3.12Å; I431-H434 PolarHBondContact N-O 3.45Å; I431-H434 WeakPolarHBondContact O-CB 3.37Å; I431-H434 PolarHBondContact O-N 3.39Å; I431-V436 HydrophobicContact CD1-CG1 4.37Å; I431-V436 HydrophobicContact CD1-CG2 4.35Å; I431-V436 HydrophobicContact CG1-CG1 4.49Å; I431-V436 HydrophobicContact CG1-CG2 4.25Å; I431-V443 HydrophobicContact CD1-CG1 4.4Å; I431-V443 HydrophobicContact CD1-CG2 3.9Å; I431-L447 HydrophobicContact CB-CD1 4.17Å; I431-L447 HydrophobicContact CB-CD2 4.46Å; I431-L447 HydrophobicContact CB-CG 4.24Å; I431-L447 HydrophobicContact CD1-CD2 4.26Å; I431-L447 HydrophobicContact CG2-CD1 4.18Å; I431-L447 HydrophobicContact CG2-CG 3.98Å; I431-T456 HydrophobicContact CG2-CG2 3.55Å; I431-V458 HydrophobicContact CG1-CG1 4.39Å |
| 432 | N | 96.1 | Very high | 96.6 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.3 | -176.7 | -73 | -14.8 | 0 | 0 | 0 | 113.4 | H434 L447 A448 S450 L451 T456 V457 | N432-H434 VanDerWaalsContact C-N 3.28Å; N432-H434 PolarHBondContact O-CD2 2.84Å; N432-H434 PolarHBondContact O-N 3.35Å; N432-L447 PolarHBondContact ND2-O 3.08Å; N432-A448 PolarHBondContact ND2-O 2.91Å; N432-S450 WeakPolarHBondContact CB-OG 3.43Å; N432-S450 PolarHBondContact ND2-OG 3.01Å; N432-L451 HydrophobicContact CB-CD1 3.75Å; N432-L451 HydrophobicContact CB-CG 3.78Å; N432-L451 WeakPolarHBondContact OD1-CD1 3.35Å; N432-T456 WeakPolarHBondContact OD1-CA 3.33Å; N432-T456 WeakPolarHBondContact OD1-CG2 3.29Å; N432-V457 PolarHBondContact N-O 2.8Å; N432-V457 PolarHBondContact OD1-N 2.95Å |
| 433 | G | 94.2 | Very high | 96.5 | Very high | 38 Ų | 38 | 54.7 Ų | 54.7 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | -13.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | I431 | I431-G433 PolarHBondContact O-N 3.41Å; I431-G433 VanDerWaalsContact O-N 3.12Å |
| 434 | H | 95.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 56.8 Ų | 56.8 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125.8 | 176.9 | -57.9 | -82.3 | 0 | 0 | 0 | 111.2 | Y430 I431 N432 V436 L447 | Y430-H434 CarbonylContact C-O 3.48Å; Y430-H434 WeakPolarHBondContact CA-O 3.46Å; I431-H434 PolarHBondContact N-O 3.45Å; I431-H434 WeakPolarHBondContact O-CB 3.37Å; I431-H434 PolarHBondContact O-N 3.39Å; N432-H434 VanDerWaalsContact C-N 3.28Å; N432-H434 PolarHBondContact O-CD2 2.84Å; N432-H434 PolarHBondContact O-N 3.35Å; H434-V436 PolarHBondContact O-N 3.21Å; H434-L447 HydrophobicContact CB-CD1 3.84Å |
| 435 | R | 96.6 | Very high | 96.2 | Very high | 151 Ų | 151 | 63.3 Ų | 63.3 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 127.7 | 175.5 | -170 | -179.7 | -177.2 | -145.4 | -3.4 | 109.7 | Q426 G427 Y430 V437 | Q426-R435 PolarHBondContact O-NH2 2.98Å; G427-R435 PolarHBondContact O-NE 2.89Å; Y430-R435 HydrophobicContact CD1-CB 3.8Å; Y430-R435 HydrophobicContact CD1-CG 4.32Å; Y430-R435 HydrophobicContact CE1-CB 3.59Å; Y430-R435 HydrophobicContact CE1-CG 3.83Å; R435-V437 HydrophobicContact CG-CG1 4.46Å |
| 436 | V | 96.3 | Very high | 96 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 134 | 176.8 | -66.1 | 0 | 0 | 0 | 0 | 109.7 | V404 F429 I431 H434 L447 | V404-V436 HydrophobicContact CG1-CB 4.14Å; V404-V436 HydrophobicContact CG1-CG2 3.56Å; V404-V436 HydrophobicContact CG2-CB 4.27Å; V404-V436 HydrophobicContact CG2-CG1 4.44Å; V404-V436 HydrophobicContact CG2-CG2 4.42Å; F429-V436 HydrophobicContact CB-CG2 4.32Å; F429-V436 HydrophobicContact CD1-CG2 3.46Å; F429-V436 VanDerWaalsContact CD1-CG2 3.46Å; F429-V436 HydrophobicContact CE1-CG2 4.23Å; F429-V436 HydrophobicContact CG-CG2 4.32Å; F429-V436 PolarHBondContact O-N 3.37Å; F429-V436 VanDerWaalsContact O-N 3.09Å; I431-V436 HydrophobicContact CD1-CG1 4.37Å; I431-V436 HydrophobicContact CD1-CG2 4.35Å; I431-V436 HydrophobicContact CG1-CG1 4.49Å; I431-V436 HydrophobicContact CG1-CG2 4.25Å; H434-V436 PolarHBondContact O-N 3.21Å; V436-L447 HydrophobicContact CG1-CD2 4.11Å |
| 437 | V | 97.2 | Very high | 95.8 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | trans | -120.9 | -13.8 | -173 | -63 | 0 | 0 | 0 | 0 | 114.4 | I424 R425 R435 P439 | I424-V437 WeakPolarHBondContact O-CA 3.43Å; R425-V437 WeakPolarHBondContact CA-O 3.38Å; R435-V437 HydrophobicContact CG-CG1 4.46Å; V437-P439 WeakPolarHBondContact O-CD 3.42Å | ||
| 438 | D | 97.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | trans | -105 | 110.1 | 177.2 | 178 | 7.4 | 0 | 0 | 0 | 109.8 | V404 S440 M441 | V404-D438 WeakPolarHBondContact CB-O 3.37Å; D438-S440 PolarHBondContact O-N 3.5Å; D438-S440 WeakPolarHBondContact OD1-CB 3.42Å; D438-S440 PolarHBondContact OD1-N 3.09Å; D438-S440 PolarHBondContact OD1-OG 3.04Å; D438-S440 PolarHBondContact OD2-OG 3.45Å; D438-M441 HydrophobicContact CB-CB 3.95Å; D438-M441 WeakPolarHBondContact O-CB 3.32Å; D438-M441 PolarHBondContact O-N 2.81Å; D438-M441 PolarHBondContact OD2-N 3.35Å | ||
| 439 | P | 96.2 | Very high | 95.6 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -26 | 176.9 | -16.8 | 27.9 | 0 | 0 | 0 | 113.5 | S403 V404 F405 I424 R425 V437 | S403-P439 WeakPolarHBondContact CB-O 3.29Å; V404-P439 PolarHBondContact N-O 2.78Å; F405-P439 HydrophobicContact CB-CB 4.04Å; F405-P439 WeakPolarHBondContact CB-O 3.36Å; F405-P439 PolarHBondContact N-O 2.68Å; I424-P439 HydrophobicContact CB-CG 4.02Å; I424-P439 HydrophobicContact CD1-CB 4.29Å; I424-P439 HydrophobicContact CG2-CB 4.19Å; I424-P439 HydrophobicContact CG2-CG 3.75Å; R425-P439 HydrophobicContact CG-CG 3.9Å; V437-P439 WeakPolarHBondContact O-CD 3.42Å |
| 440 | S | 96.6 | Very high | 95.4 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 63% | 0.629 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -13.9 | -177.3 | 69 | 0 | 0 | 0 | 0 | 113.8 | D438 Q442 | D438-S440 PolarHBondContact O-N 3.5Å; D438-S440 WeakPolarHBondContact OD1-CB 3.42Å; D438-S440 PolarHBondContact OD1-N 3.09Å; D438-S440 PolarHBondContact OD1-OG 3.04Å; D438-S440 PolarHBondContact OD2-OG 3.45Å; S440-Q442 PolarHBondContact O-N 2.95Å |
| 441 | M | 96.2 | Very high | 95.3 | Very high | 76 Ų | 76 | 60 Ų | 60 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -55.4 | 132.5 | 176 | 176.5 | -175.6 | 172.5 | 0 | 0 | 110.4 | S403 V404 D438 L447 | S403-M441 CarbonylContact C-O 3.54Å; S403-M441 VanDerWaalsContact CA-O 3.29Å; S403-M441 WeakPolarHBondContact CA-O 3.19Å; V404-M441 HydrophobicContact CG2-CB 4.05Å; V404-M441 HydrophobicContact CG2-CG 4.41Å; V404-M441 PolarHBondContact N-O 3.39Å; D438-M441 HydrophobicContact CB-CB 3.95Å; D438-M441 WeakPolarHBondContact O-CB 3.32Å; D438-M441 PolarHBondContact O-N 2.81Å; D438-M441 PolarHBondContact OD2-N 3.35Å; M441-L447 HydrophobicContact CE-CD2 4.41Å |
| 442 | Q | 96.2 | Very high | 95.1 | Very high | 121 Ų | 121 | 60.8 Ų | 60.8 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -74.7 | 131.1 | 172.8 | -67.9 | -175.5 | -22.2 | 0 | 0 | 110.5 | S440 N444 | S440-Q442 PolarHBondContact O-N 2.95Å; Q442-N444 PolarHBondContact O-N 3.37Å |
| 443 | V | 95.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | trans | -80.4 | 106.4 | 176.8 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | F398 M402 V404 V407 I431 L447 A448 | F398-V443 WeakPolarHBondContact CZ-O 3.3Å; M402-V443 PolarHBondContact O-N 2.93Å; V404-V443 HydrophobicContact CB-CG2 4.39Å; V404-V443 HydrophobicContact CG2-CG2 3.7Å; V407-V443 HydrophobicContact CB-CG2 4.46Å; V407-V443 HydrophobicContact CG2-CB 4.21Å; V407-V443 HydrophobicContact CG2-CG1 4.49Å; V407-V443 HydrophobicContact CG2-CG2 3.76Å; I431-V443 HydrophobicContact CD1-CG1 4.4Å; I431-V443 HydrophobicContact CD1-CG2 3.9Å; V443-L447 HydrophobicContact CG1-CB 4.48Å; V443-L447 HydrophobicContact CG1-CD2 4.3Å; V443-L447 HydrophobicContact CG1-CG 4.39Å; V443-A448 HydrophobicContact CG1-CB 4.03Å | ||
| 444 | N | 94 | Very high | 94.7 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | trans | -76.8 | 168.1 | 177.7 | 71.6 | 12.3 | 0 | 0 | 0 | 111.9 | Q442 E446 L447 A448 | Q442-N444 PolarHBondContact O-N 3.37Å; N444-E446 VanDerWaalsContact C-N 3.29Å; N444-E446 PolarHBondContact O-N 3.27Å; N444-E446 PolarHBondContact OD1-N 2.88Å; N444-L447 PolarHBondContact O-N 2.85Å; N444-L447 VanDerWaalsContact OD1-CB 3.27Å; N444-L447 WeakPolarHBondContact OD1-CB 3.16Å; N444-L447 PolarHBondContact OD1-N 3.49Å; N444-A448 WeakPolarHBondContact O-CB 3.27Å; N444-A448 PolarHBondContact O-N 3.32Å | ||
| 445 | K | 93.2 | Very high | 94.7 | Very high | 137 Ų | 137 | 64.6 Ų | 64.6 | 60% | 0.596 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63 | -34 | -179.9 | -68.9 | -167.9 | 177.6 | 177.9 | 0 | 113 | F398 F449 | F398-K445 HydrophobicContact CE1-CG 3.69Å; F398-K445 HydrophobicContact CZ-CG 3.96Å; K445-F449 HydrophobicContact CB-CD2 3.86Å; K445-F449 HydrophobicContact CB-CE2 4.12Å; K445-F449 HydrophobicContact CD-CE2 4.37Å; K445-F449 HydrophobicContact CG-CD2 4.2Å; K445-F449 HydrophobicContact CG-CE2 3.93Å; K445-F449 WeakPolarHBondContact O-CB 3.27Å; K445-F449 VanDerWaalsContact O-CD2 3.26Å; K445-F449 WeakPolarHBondContact O-CD2 3.2Å; K445-F449 PolarHBondContact O-N 3.38Å |
| 446 | E | 93 | Very high | 94.7 | Very high | 160 Ų | 160 | 57.4 Ų | 57.4 | 75% | 0.748 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.5 | -44.6 | 179.3 | -66.3 | 175.1 | 179.8 | 0 | 0 | 111 | N444 S450 | N444-E446 VanDerWaalsContact C-N 3.29Å; N444-E446 PolarHBondContact O-N 3.27Å; N444-E446 PolarHBondContact OD1-N 2.88Å; E446-S450 WeakPolarHBondContact O-CA 3.3Å; E446-S450 WeakPolarHBondContact O-CB 3.47Å; E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 VanDerWaalsContact O-N 3.11Å |
| 447 | L | 94.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 11% | 0.105 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.8 | -45.3 | 176.7 | -179.5 | 58.6 | 0 | 0 | 0 | 112 | I431 N432 H434 V436 M441 V443 N444 S450 | I431-L447 HydrophobicContact CB-CD1 4.17Å; I431-L447 HydrophobicContact CB-CD2 4.46Å; I431-L447 HydrophobicContact CB-CG 4.24Å; I431-L447 HydrophobicContact CD1-CD2 4.26Å; I431-L447 HydrophobicContact CG2-CD1 4.18Å; I431-L447 HydrophobicContact CG2-CG 3.98Å; N432-L447 PolarHBondContact ND2-O 3.08Å; H434-L447 HydrophobicContact CB-CD1 3.84Å; V436-L447 HydrophobicContact CG1-CD2 4.11Å; M441-L447 HydrophobicContact CE-CD2 4.41Å; V443-L447 HydrophobicContact CG1-CB 4.48Å; V443-L447 HydrophobicContact CG1-CD2 4.3Å; V443-L447 HydrophobicContact CG1-CG 4.39Å; N444-L447 PolarHBondContact O-N 2.85Å; N444-L447 VanDerWaalsContact OD1-CB 3.27Å; N444-L447 WeakPolarHBondContact OD1-CB 3.16Å; N444-L447 PolarHBondContact OD1-N 3.49Å; L447-S450 PolarHBondContact O-OG 2.79Å |
| 448 | A | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.4 | -45.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | F398 N432 V443 N444 T456 W470 | F398-A448 HydrophobicContact CD2-CB 4.06Å; F398-A448 HydrophobicContact CE2-CB 3.65Å; N432-A448 PolarHBondContact ND2-O 2.91Å; V443-A448 HydrophobicContact CG1-CB 4.03Å; N444-A448 WeakPolarHBondContact O-CB 3.27Å; N444-A448 PolarHBondContact O-N 3.32Å; A448-T456 PolarHBondContact O-OG1 3.09Å; A448-W470 HydrophobicContact CB-CZ2 4.34Å |
| 449 | F | 94.8 | Very high | 94.6 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 16.3 | -171.5 | -52.1 | -61.7 | 0 | 0 | 0 | 114 | F398 K445 L451 S452 K453 W470 | F398-F449 HydrophobicContact CB-CZ 3.99Å; F398-F449 HydrophobicContact CD1-CE2 4.28Å; F398-F449 HydrophobicContact CD1-CZ 4.31Å; F398-F449 HydrophobicContact CD2-CE2 4.34Å; F398-F449 HydrophobicContact CD2-CZ 4.05Å; F398-F449 HydrophobicContact CG-CE2 4.19Å; F398-F449 AromaticContact CG-CZ 3.84Å; F398-F449 HydrophobicContact CG-CZ 3.84Å; K445-F449 HydrophobicContact CB-CD2 3.86Å; K445-F449 HydrophobicContact CB-CE2 4.12Å; K445-F449 HydrophobicContact CD-CE2 4.37Å; K445-F449 HydrophobicContact CG-CD2 4.2Å; K445-F449 HydrophobicContact CG-CE2 3.93Å; K445-F449 WeakPolarHBondContact O-CB 3.27Å; K445-F449 VanDerWaalsContact O-CD2 3.26Å; K445-F449 WeakPolarHBondContact O-CD2 3.2Å; K445-F449 PolarHBondContact O-N 3.38Å; F449-L451 PolarHBondContact O-N 3.08Å; F449-S452 WeakPolarHBondContact CA-O 3.41Å; F449-S452 PolarHBondContact O-N 3.24Å; F449-K453 WeakPolarHBondContact CD1-O 3.32Å; F449-W470 AromaticContact CD1-CD1 3.86Å; F449-W470 HydrophobicContact CE1-CB 4.17Å; F449-W470 AromaticContact CE1-CD1 3.36Å; F449-W470 HydrophobicContact CE1-CD2 4.16Å; F449-W470 AromaticContact CE1-CG 3.64Å; F449-W470 HydrophobicContact CE1-CG 3.64Å; F449-W470 AromaticContact CE1-NE1 3.65Å; F449-W470 HydrophobicContact CZ-CG 4.4Å |
| 450 | S | 93.6 | Very high | 94.5 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -59.5 | -29.7 | -177.7 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | N432 E446 L447 | N432-S450 WeakPolarHBondContact CB-OG 3.43Å; N432-S450 PolarHBondContact ND2-OG 3.01Å; E446-S450 WeakPolarHBondContact O-CA 3.3Å; E446-S450 WeakPolarHBondContact O-CB 3.47Å; E446-S450 PolarHBondContact O-N 3.47Å; E446-S450 VanDerWaalsContact O-N 3.11Å; L447-S450 PolarHBondContact O-OG 2.79Å |
| 451 | L | 93.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 51 Ų | 51 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -97.2 | -38.3 | 177.7 | -63.5 | -179.9 | 0 | 0 | 0 | 113.1 | L373 I376 S377 N432 F449 V457 | L373-L451 HydrophobicContact CB-CD1 3.94Å; L373-L451 HydrophobicContact CB-CD2 4.4Å; L373-L451 WeakPolarHBondContact O-CD2 3.46Å; I376-L451 HydrophobicContact CB-CB 4.25Å; I376-L451 HydrophobicContact CD1-CD1 4.2Å; I376-L451 HydrophobicContact CG2-CB 4.13Å; S377-L451 WeakPolarHBondContact CA-O 3.34Å; S377-L451 WeakPolarHBondContact CB-O 3.36Å; S377-L451 PolarHBondContact N-O 3.4Å; N432-L451 HydrophobicContact CB-CD1 3.75Å; N432-L451 HydrophobicContact CB-CG 3.78Å; N432-L451 WeakPolarHBondContact OD1-CD1 3.35Å; F449-L451 PolarHBondContact O-N 3.08Å; L451-V457 HydrophobicContact CD1-CB 4.48Å; L451-V457 HydrophobicContact CD1-CG2 4.08Å |
| 452 | S | 92.9 | Very high | 93.9 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 13% | 0.126 | 28% | 0.281 | C | S | . | . | trans | -159.4 | 148.5 | -178.7 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | F449 A454 L455 | F449-S452 WeakPolarHBondContact CA-O 3.41Å; F449-S452 PolarHBondContact O-N 3.24Å; S452-A454 PolarHBondContact O-N 2.81Å; S452-A454 PolarHBondContact OG-N 3.4Å; S452-A454 VanDerWaalsContact OG-N 3.09Å; S452-L455 PolarHBondContact OG-N 3.39Å | ||
| 453 | K | 91.1 | Very high | 93.4 | Very high | 186 Ų | 186 | 57 Ų | 57 | 81% | 0.809 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -68.5 | -22.1 | 171.5 | -66.6 | -176.3 | -179.9 | 177.7 | 0 | 112.5 | F449 | F449-K453 WeakPolarHBondContact CD1-O 3.32Š|
| 454 | A | 92 | Very high | 93.2 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 30% | 0.298 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -97 | -35.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S452 W470 | S452-A454 PolarHBondContact O-N 2.81Å; S452-A454 PolarHBondContact OG-N 3.4Å; S452-A454 VanDerWaalsContact OG-N 3.09Å; A454-W470 PolarHBondContact O-N 3.27Å |
| 455 | L | 94.7 | Very high | 93.2 | Very high | 6 Ų | 6 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 139.7 | -171.2 | -57.9 | -174.4 | 0 | 0 | 0 | 112.9 | L384 L387 S452 I467 I468 A469 | L384-L455 HydrophobicContact CB-CD1 3.91Å; L384-L455 HydrophobicContact CD2-CD1 3.94Å; L384-L455 HydrophobicContact CG-CD1 4.49Å; L384-L455 WeakPolarHBondContact O-CD1 3.45Å; L387-L455 HydrophobicContact CB-CD1 4.49Å; S452-L455 PolarHBondContact OG-N 3.39Å; L455-I467 HydrophobicContact CB-CG2 4.26Å; L455-I467 HydrophobicContact CD1-CG2 4.13Å; L455-I467 HydrophobicContact CD2-CG2 3.74Å; L455-I467 HydrophobicContact CG-CG2 4.27Å; L455-I468 CarbonylContact C-O 3.57Å; L455-I468 WeakPolarHBondContact CA-O 3.47Å; L455-A469 HydrophobicContact CD2-CB 3.69Å |
| 456 | T | 96.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.7 | 163.1 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | I431 N432 A448 V458 I467 I468 W470 | I431-T456 HydrophobicContact CG2-CG2 3.55Å; N432-T456 WeakPolarHBondContact OD1-CA 3.33Å; N432-T456 WeakPolarHBondContact OD1-CG2 3.29Å; A448-T456 PolarHBondContact O-OG1 3.09Å; T456-V458 HydrophobicContact CG2-CG1 4.14Å; T456-I467 WeakPolarHBondContact O-CA 3.33Å; T456-I468 PolarHBondContact N-O 2.66Å; T456-I468 PolarHBondContact O-N 3.27Å; T456-W470 PolarHBondContact OG1-NE1 3.24Å |
| 457 | V | 97 | Very high | 93.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.9 | 170.3 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | L368 L373 I376 N432 L451 Y465 I467 | L368-V457 HydrophobicContact CD2-CG1 3.96Å; L373-V457 HydrophobicContact CD2-CB 4.46Å; L373-V457 HydrophobicContact CD2-CG1 4.15Å; L373-V457 HydrophobicContact CD2-CG2 4.23Å; I376-V457 HydrophobicContact CD1-CG2 3.48Å; I376-V457 VanDerWaalsContact CD1-CG2 3.48Å; N432-V457 PolarHBondContact N-O 2.8Å; N432-V457 PolarHBondContact OD1-N 2.95Å; L451-V457 HydrophobicContact CD1-CB 4.48Å; L451-V457 HydrophobicContact CD1-CG2 4.08Å; V457-Y465 HydrophobicContact CG1-CD1 3.85Å; V457-I467 HydrophobicContact CB-CD1 4.25Å; V457-I467 HydrophobicContact CG1-CD1 4.33Å; V457-I467 HydrophobicContact CG2-CD1 3.66Å |
| 458 | V | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141 | 169.6 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | V407 F429 Y430 I431 T456 Y465 R466 I468 | V407-V458 HydrophobicContact CG1-CG1 4.02Å; F429-V458 HydrophobicContact CE2-CB 3.94Å; F429-V458 HydrophobicContact CE2-CG2 4.49Å; F429-V458 HydrophobicContact CZ-CB 3.75Å; F429-V458 HydrophobicContact CZ-CG1 3.88Å; F429-V458 HydrophobicContact CZ-CG2 4.49Å; Y430-V458 WeakPolarHBondContact O-CA 3.29Å; I431-V458 HydrophobicContact CG1-CG1 4.39Å; T456-V458 HydrophobicContact CG2-CG1 4.14Å; V458-Y465 CarbonylContact O-C 3.43Å; V458-Y465 WeakPolarHBondContact O-CA 3.48Å; V458-R466 HydrophobicContact CG2-CB 3.69Å; V458-R466 PolarHBondContact N-O 3.39Å; V458-R466 PolarHBondContact O-N 2.95Å; V458-I468 HydrophobicContact CG1-CD1 3.78Å; V458-I468 HydrophobicContact CG1-CG1 4.45Å |
| 459 | R | 95.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 48.4 Ų | 48.4 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.2 | -179.2 | 179.6 | -177.8 | 75.5 | -177.8 | -1.9 | 111.3 | F429 Y430 G461 L464 Y465 | F429-R459 WeakPolarHBondContact CA-O 3.33Å; Y430-R459 VanDerWaalsContact CE1-NH2 3.33Å; Y430-R459 PolarHBondContact N-O 3.22Å; Y430-R459 PolarHBondContact O-N 2.91Å; R459-G461 WeakPolarHBondContact CD-O 3.48Å; R459-G461 WeakPolarHBondContact CG-O 3.22Å; R459-G461 PolarHBondContact NE-O 3.33Å; R459-L464 CarbonylContact C-O 3.52Å; R459-L464 VanDerWaalsContact CA-O 3.29Å; R459-L464 WeakPolarHBondContact CA-O 3.47Å; R459-Y465 HydrophobicContact CB-CD1 3.98Å; R459-Y465 HydrophobicContact CB-CE1 3.95Å; R459-Y465 VanDerWaalsContact CD-CE1 3.41Å; R459-Y465 WeakPolarHBondContact CD-OH 3.35Å; R459-Y465 HydrophobicContact CG-CD1 4.12Å; R459-Y465 HydrophobicContact CG-CD2 4.46Å; R459-Y465 HydrophobicContact CG-CE1 3.83Å; R459-Y465 HydrophobicContact CG-CE2 4.14Å; R459-Y465 HydrophobicContact CG-CG 4.43Å; R459-Y465 PolarHBondContact NH1-OH 3.05Å |
| 460 | L | 94.1 | Very high | 93.8 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 15% | 0.152 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116 | 171.8 | 175.9 | 59.8 | 0 | 0 | 0 | 109.9 | C413 F414 V423 L464 | C413-L460 HydrophobicContact CB-CD2 4.44Å; C413-L460 WeakPolarHBondContact O-CD2 3.29Å; F414-L460 HydrophobicContact CD1-CD2 4.48Å; F414-L460 HydrophobicContact CE1-CD1 3.76Å; F414-L460 HydrophobicContact CE1-CD2 3.99Å; F414-L460 HydrophobicContact CE2-CD1 4.21Å; F414-L460 HydrophobicContact CZ-CD1 3.35Å; F414-L460 HydrophobicContact CZ-CD2 4.1Å; F414-L460 HydrophobicContact CZ-CG 4.32Å; V423-L460 HydrophobicContact CG1-CD1 3.6Å; L460-L464 HydrophobicContact CB-CB 4.04Å; L460-L464 HydrophobicContact CD2-CD1 3.97Å; L460-L464 HydrophobicContact CG-CD1 4.32Å; L460-L464 PolarHBondContact N-O 3.28Å; L460-L464 PolarHBondContact O-N 3.35Å |
| 461 | G | 91.8 | Very high | 93.5 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -134 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G428 R459 | G428-G461 PolarHBondContact O-N 2.78Å; R459-G461 WeakPolarHBondContact CD-O 3.48Å; R459-G461 WeakPolarHBondContact CG-O 3.22Å; R459-G461 PolarHBondContact NE-O 3.33Å |
| 462 | R | 86.8 | Confident | 93.6 | Very high | 224 Ų | 224 | 56.2 Ų | 56.2 | 85% | 0.845 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -24 | -178.2 | -64.2 | -175.3 | -178.1 | 178.8 | 0.4 | 114.3 | ||
| 463 | K | 85.7 | Confident | 93.6 | Very high | 97 Ų | 97 | 58.2 Ų | 58.2 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -29.9 | -163.6 | -65.4 | 179.3 | 171.7 | -175.9 | 0 | 114.5 | N303 Y465 | N303-K463 HydrophobicContact CB-CD 4.13Å; N303-K463 PolarHBondContact O-NZ 3.4Å; N303-K463 VanDerWaalsContact O-NZ 3.16Å; N303-K463 VanDerWaalsContact OD1-CD 3.27Å; N303-K463 WeakPolarHBondContact OD1-CD 3.42Å; N303-K463 VanDerWaalsContact OD1-CE 3.23Å; N303-K463 WeakPolarHBondContact OD1-CE 3.14Å; K463-Y465 WeakPolarHBondContact O-CD2 3.25Å |
| 464 | L | 90.9 | Very high | 93.7 | Very high | 112 Ų | 112 | 51.1 Ų | 51.1 | 59% | 0.586 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 114.2 | -169.9 | -65 | 174 | 0 | 0 | 0 | 109.9 | R459 L460 | R459-L464 CarbonylContact C-O 3.52Å; R459-L464 VanDerWaalsContact CA-O 3.29Å; R459-L464 WeakPolarHBondContact CA-O 3.47Å; L460-L464 HydrophobicContact CB-CB 4.04Å; L460-L464 HydrophobicContact CD2-CD1 3.97Å; L460-L464 HydrophobicContact CG-CD1 4.32Å; L460-L464 PolarHBondContact N-O 3.28Å; L460-L464 PolarHBondContact O-N 3.35Å |
| 465 | Y | 95.3 | Very high | 93.8 | Very high | 12 Ų | 12 | 52 Ų | 52 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 142.2 | 176 | -67.5 | -101.4 | 0 | 0 | 0 | 109.3 | L368 H369 V457 V458 R459 K463 | L368-Y465 HydrophobicContact CB-CD1 4.04Å; L368-Y465 HydrophobicContact CB-CD2 4.48Å; L368-Y465 HydrophobicContact CB-CE1 3.97Å; L368-Y465 HydrophobicContact CB-CE2 4.47Å; L368-Y465 HydrophobicContact CB-CG 4.29Å; L368-Y465 HydrophobicContact CD1-CD1 4.28Å; L368-Y465 HydrophobicContact CD1-CG 4.05Å; L368-Y465 HydrophobicContact CD2-CD1 3.98Å; L368-Y465 HydrophobicContact CD2-CE1 4.43Å; L368-Y465 HydrophobicContact CG-CD1 4.33Å; L368-Y465 WeakPolarHBondContact O-CE1 3.37Å; L368-Y465 PolarHBondContact O-OH 3.1Å; H369-Y465 AromaticContact CE1-CD2 3.72Å; H369-Y465 AromaticContact CE1-CE2 3.21Å; H369-Y465 WeakPolarHBondContact CE1-CE2 3.02Å; H369-Y465 AromaticContact ND1-CE2 3.56Å; H369-Y465 AromaticContact NE2-CD2 3.72Å; H369-Y465 AromaticContact NE2-CE2 3.53Å; V457-Y465 HydrophobicContact CG1-CD1 3.85Å; V458-Y465 CarbonylContact O-C 3.43Å; V458-Y465 WeakPolarHBondContact O-CA 3.48Å; R459-Y465 HydrophobicContact CB-CD1 3.98Å; R459-Y465 HydrophobicContact CB-CE1 3.95Å; R459-Y465 VanDerWaalsContact CD-CE1 3.41Å; R459-Y465 WeakPolarHBondContact CD-OH 3.35Å; R459-Y465 HydrophobicContact CG-CD1 4.12Å; R459-Y465 HydrophobicContact CG-CD2 4.46Å; R459-Y465 HydrophobicContact CG-CE1 3.83Å; R459-Y465 HydrophobicContact CG-CE2 4.14Å; R459-Y465 HydrophobicContact CG-CG 4.43Å; R459-Y465 PolarHBondContact NH1-OH 3.05Å; K463-Y465 WeakPolarHBondContact O-CD2 3.25Å |
| 466 | R | 96.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 30% | 0.302 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 156.5 | 167.4 | -66.5 | -164.6 | 160.7 | -146.1 | -1.9 | 110.6 | P392 S411 G412 V458 | P392-R466 HydrophobicContact CB-CG 4.36Å; P392-R466 CarbonylContact O-C 3.54Å; P392-R466 WeakPolarHBondContact O-CA 3.48Å; P392-R466 WeakPolarHBondContact O-CB 3.35Å; S411-R466 WeakPolarHBondContact O-CD 3.42Å; S411-R466 PolarHBondContact O-NH1 3.18Å; G412-R466 VanDerWaalsContact C-CZ 3.47Å; G412-R466 VanDerWaalsContact CA-NH1 3.26Å; G412-R466 PolarHBondContact O-NE 3.02Å; G412-R466 PolarHBondContact O-NH1 3Å; G412-R466 PolarHBondContact O-NH2 3.32Å; V458-R466 HydrophobicContact CG2-CB 3.69Å; V458-R466 PolarHBondContact N-O 3.39Å; V458-R466 PolarHBondContact O-N 2.95Å |
| 467 | I | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | 176.4 | -61.8 | -63.7 | 0 | 0 | 0 | 109.4 | V391 P392 S393 V394 L455 T456 V457 | V391-I467 HydrophobicContact CB-CG1 3.69Å; V391-I467 HydrophobicContact CG1-CG1 3.81Å; V391-I467 HydrophobicContact CG2-CG1 4.32Å; P392-I467 PolarHBondContact O-N 3.42Å; S393-I467 CarbonylContact C-O 3.6Å; S393-I467 WeakPolarHBondContact CA-O 3.45Å; S393-I467 WeakPolarHBondContact CB-O 3.4Å; V394-I467 PolarHBondContact N-O 2.85Å; L455-I467 HydrophobicContact CB-CG2 4.26Å; L455-I467 HydrophobicContact CD1-CG2 4.13Å; L455-I467 HydrophobicContact CD2-CG2 3.74Å; L455-I467 HydrophobicContact CG-CG2 4.27Å; T456-I467 WeakPolarHBondContact O-CA 3.33Å; V457-I467 HydrophobicContact CB-CD1 4.25Å; V457-I467 HydrophobicContact CG1-CD1 4.33Å; V457-I467 HydrophobicContact CG2-CD1 3.66Å |
| 468 | I | 97.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119 | 164 | -58.8 | 167.2 | 0 | 0 | 0 | 106.7 | V394 L396 V407 L455 T456 V458 W470 | V394-I468 HydrophobicContact CG2-CG1 4.15Å; L396-I468 HydrophobicContact CB-CG2 3.8Å; L396-I468 HydrophobicContact CD1-CD1 4.14Å; L396-I468 HydrophobicContact CD1-CG1 4.17Å; L396-I468 HydrophobicContact CD1-CG2 3.76Å; L396-I468 HydrophobicContact CG-CG2 3.89Å; V407-I468 HydrophobicContact CG1-CD1 3.58Å; L455-I468 CarbonylContact C-O 3.57Å; L455-I468 WeakPolarHBondContact CA-O 3.47Å; T456-I468 PolarHBondContact N-O 2.66Å; T456-I468 PolarHBondContact O-N 3.27Å; V458-I468 HydrophobicContact CG1-CD1 3.78Å; V458-I468 HydrophobicContact CG1-CG1 4.45Å; I468-W470 HydrophobicContact CB-CZ2 4.32Å; I468-W470 HydrophobicContact CD1-CH2 4.44Å; I468-W470 HydrophobicContact CD1-CZ2 4.32Å; I468-W470 HydrophobicContact CG2-CD2 3.82Å; I468-W470 HydrophobicContact CG2-CE3 3.89Å; I468-W470 HydrophobicContact CG2-CH2 3.78Å; I468-W470 HydrophobicContact CG2-CZ2 3.68Å; I468-W470 HydrophobicContact CG2-CZ3 3.88Å |
| 469 | A | 95.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q388 V394 Q395 L396 L455 | Q388-A469 HydrophobicContact CG-CB 4.43Å; V394-A469 PolarHBondContact O-N 3.41Å; Q395-A469 VanDerWaalsContact CA-O 3.29Å; Q395-A469 WeakPolarHBondContact CA-O 3.46Å; Q395-A469 HydrophobicContact CG-CB 4.36Å; L396-A469 PolarHBondContact N-O 3.38Å; L455-A469 HydrophobicContact CD2-CB 3.69Å |
| 470 | W | 93.6 | Very high | 92.8 | Very high | 29 Ų | 29 | 68.4 Ų | 68.4 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.8 | -178.7 | -59.5 | 108.3 | 0 | 0 | 0 | 111.1 | L396 F398 M402 A448 F449 A454 T456 I468 | L396-W470 HydrophobicContact CB-CE3 4.01Å; L396-W470 HydrophobicContact CB-CZ3 3.71Å; L396-W470 WeakPolarHBondContact O-CA 3.3Å; F398-W470 HydrophobicContact CB-CD2 4.3Å; F398-W470 HydrophobicContact CB-CE3 3.75Å; F398-W470 HydrophobicContact CB-CZ3 3.94Å; F398-W470 HydrophobicContact CD2-CE3 4.49Å; F398-W470 AromaticContact CD2-CH2 3.99Å; F398-W470 HydrophobicContact CD2-CH2 3.99Å; F398-W470 HydrophobicContact CD2-CZ2 4.27Å; F398-W470 HydrophobicContact CD2-CZ3 4.11Å; M402-W470 HydrophobicContact SD-CH2 4.2Å; M402-W470 HydrophobicContact SD-CZ3 4.39Å; A448-W470 HydrophobicContact CB-CZ2 4.34Å; F449-W470 AromaticContact CD1-CD1 3.86Å; F449-W470 HydrophobicContact CE1-CB 4.17Å; F449-W470 AromaticContact CE1-CD1 3.36Å; F449-W470 HydrophobicContact CE1-CD2 4.16Å; F449-W470 AromaticContact CE1-CG 3.64Å; F449-W470 HydrophobicContact CE1-CG 3.64Å; F449-W470 AromaticContact CE1-NE1 3.65Å; F449-W470 HydrophobicContact CZ-CG 4.4Å; A454-W470 PolarHBondContact O-N 3.27Å; T456-W470 PolarHBondContact OG1-NE1 3.24Å; I468-W470 HydrophobicContact CB-CZ2 4.32Å; I468-W470 HydrophobicContact CD1-CH2 4.44Å; I468-W470 HydrophobicContact CD1-CZ2 4.32Å; I468-W470 HydrophobicContact CG2-CD2 3.82Å; I468-W470 HydrophobicContact CG2-CE3 3.89Å; I468-W470 HydrophobicContact CG2-CH2 3.78Å; I468-W470 HydrophobicContact CG2-CZ2 3.68Å; I468-W470 HydrophobicContact CG2-CZ3 3.88Å |
| 471 | K | 88.7 | Confident | 92.7 | Very high | 198 Ų | 198 | 72 Ų | 72 | 86% | 0.861 | 32% | 0.324 | S | S | * | . | trans | -81.9 | 0 | 174.8 | -68 | -172.8 | 179.1 | -176.2 | 0 | 113.5 | Q395 L396 | Q395-K471 HydrophobicContact CB-CG 4.42Å; L396-K471 PolarHBondContact O-N 3.28Å |
Retrieved 471 of 471 residues in 262.3 ms
(Link to these results)