| 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 | 44.5 | Very low | 64.4 | Low | 242 Ų | 242 | 143.2 Ų | 143.2 | 100% | 1.192 | 69% | 0.69 | S | S | * | * | 0 | 93 | 0 | -91.7 | 171.6 | 167 | 0 | 0 | 107.3 | |||||
| 2 | T | 52.7 | Low | 64.7 | Low | 118 Ų | 118 | 139.6 Ų | 139.6 | 72% | 0.724 | 69% | 0.687 | S | S | * | * | trans | -66.3 | 132.5 | 161.1 | 41.4 | 0 | 0 | 0 | 0 | 106.1 | Y4 | T2-Y4 PolarHBondContact O-N 2.66Š| ||
| 3 | F | 56.3 | Low | 64.1 | Low | 186 Ų | 186 | 140.2 Ų | 140.2 | 82% | 0.816 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -66.6 | -1.7 | -166.4 | -150 | -92.1 | 0 | 0 | 0 | 113.8 | ||
| 4 | Y | 58.9 | Low | 63.4 | Low | 110 Ų | 110 | 142.4 Ų | 142.4 | 43% | 0.431 | 70% | 0.701 | S | S | . | * | S | Bend | trans | -146.9 | 126.1 | -176.8 | -71.4 | -80.5 | 0 | 0 | 0 | 110.9 | T2 D6 F10 | T2-Y4 PolarHBondContact O-N 2.66Å; Y4-D6 VanDerWaalsContact C-N 3.34Å; Y4-D6 PolarHBondContact O-N 3.03Å; Y4-F10 HydrophobicContact CG-CD1 4.26Å |
| 5 | D | 63.8 | Low | 62.5 | Low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 67.1 | -179 | -68.1 | -47.9 | 0 | 0 | 0 | 112.5 | I7 | D5-I7 WeakPolarHBondContact O-CG1 3.21Å; D5-I7 PolarHBondContact O-N 2.94Å | ||
| 6 | D | 68.4 | Low | 61.7 | Low | 130 Ų | 130 | 146.3 Ų | 146.3 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 44.8 | 16.3 | 168.2 | -73.4 | -28.4 | 0 | 0 | 0 | 118.3 | Y4 Y8 | Y4-D6 VanDerWaalsContact C-N 3.34Å; Y4-D6 PolarHBondContact O-N 3.03Å; D6-Y8 WeakPolarHBondContact O-CD2 3.38Å |
| 7 | I | 69.5 | Low | 61.3 | Low | 132 Ų | 132 | 142.5 Ų | 142.5 | 68% | 0.677 | 71% | 0.712 | S | S | * | * | trans | -92 | 110.7 | -179.7 | -67.1 | 152.7 | 0 | 0 | 0 | 108.4 | D5 | D5-I7 WeakPolarHBondContact O-CG1 3.21Å; D5-I7 PolarHBondContact O-N 2.94Å | ||
| 8 | Y | 73.2 | Confident | 60.8 | Low | 163 Ų | 163 | 141.2 Ų | 141.2 | 64% | 0.639 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -98.9 | 139.6 | 175.5 | -65.3 | -89.5 | 0 | 0 | 0 | 111 | D6 F10 | D6-Y8 WeakPolarHBondContact O-CD2 3.38Å; Y8-F10 HydrophobicContact CD1-CD2 4.09Å; Y8-F10 HydrophobicContact CD1-CE1 4.4Å; Y8-F10 AromaticContact CD1-CE2 3.65Å; Y8-F10 HydrophobicContact CD1-CE2 3.65Å; Y8-F10 AromaticContact CD1-CZ 3.82Å; Y8-F10 HydrophobicContact CD1-CZ 3.82Å; Y8-F10 AromaticContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CE1 4.13Å; Y8-F10 AromaticContact CE1-CE2 3.11Å; Y8-F10 HydrophobicContact CE1-CE2 3.11Å; Y8-F10 AromaticContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 AromaticContact CZ-CE2 3.84Å; Y8-F10 AromaticContact CZ-CZ 3.42Å; Y8-F10 VanDerWaalsContact CZ-CZ 3.42Å |
| 9 | P | 76 | Confident | 61 | Low | 94 Ų | 94 | 142.6 Ų | 142.6 | 61% | 0.61 | 71% | 0.709 | S | S | * | * | S | Bend | cis | -79.1 | 140.4 | -2.4 | 30.8 | -33.3 | 0 | 0 | 0 | 113 | Y11 | P9-Y11 PolarHBondContact O-N 3.16Å; P9-Y11 VanDerWaalsContact O-N 3.16Å |
| 10 | F | 73.1 | Confident | 61.4 | Low | 86 Ų | 86 | 139.9 Ų | 139.9 | 38% | 0.377 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -58.7 | -28.8 | -179.8 | -62.7 | -59.9 | 0 | 0 | 0 | 114.2 | Y4 Y8 | Y4-F10 HydrophobicContact CG-CD1 4.26Å; Y8-F10 HydrophobicContact CD1-CD2 4.09Å; Y8-F10 HydrophobicContact CD1-CE1 4.4Å; Y8-F10 AromaticContact CD1-CE2 3.65Å; Y8-F10 HydrophobicContact CD1-CE2 3.65Å; Y8-F10 AromaticContact CD1-CZ 3.82Å; Y8-F10 HydrophobicContact CD1-CZ 3.82Å; Y8-F10 AromaticContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CD2 3.99Å; Y8-F10 HydrophobicContact CE1-CE1 4.13Å; Y8-F10 AromaticContact CE1-CE2 3.11Å; Y8-F10 HydrophobicContact CE1-CE2 3.11Å; Y8-F10 AromaticContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE1-CZ 3.2Å; Y8-F10 HydrophobicContact CE2-CZ 4.23Å; Y8-F10 AromaticContact CZ-CE2 3.84Å; Y8-F10 AromaticContact CZ-CZ 3.42Å; Y8-F10 VanDerWaalsContact CZ-CZ 3.42Å |
| 11 | Y | 72.1 | Confident | 62.2 | Low | 174 Ų | 174 | 135.3 Ų | 135.3 | 68% | 0.682 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -121.8 | 96.7 | 170.7 | -61.6 | -81.2 | 0 | 0 | 0 | 107.2 | P9 L13 | P9-Y11 PolarHBondContact O-N 3.16Å; P9-Y11 VanDerWaalsContact O-N 3.16Å; Y11-L13 PolarHBondContact O-N 3.21Å |
| 12 | P | 68.1 | Low | 64 | Low | 100 Ų | 100 | 126 Ų | 126 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | trans | -55.9 | 129 | 171.2 | 23.2 | -31.7 | 0 | 0 | 0 | 108.1 | Q14 | P12-Q14 VanDerWaalsContact C-N 3.29Å; P12-Q14 PolarHBondContact O-N 3.36Å | ||
| 13 | L | 56.6 | Low | 65.5 | Low | 147 Ų | 147 | 127 Ų | 127 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | trans | -71.1 | 85.3 | -171.5 | -141 | 101.5 | 0 | 0 | 0 | 109.6 | Y11 R15 | Y11-L13 PolarHBondContact O-N 3.21Å; L13-R15 HydrophobicContact CD2-CG 4.09Å; L13-R15 PolarHBondContact O-N 3.18Å; L13-R15 VanDerWaalsContact O-N 3.08Å | ||
| 14 | Q | 54.5 | Low | 66.9 | Low | 172 Ų | 172 | 119.8 Ų | 119.8 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | trans | -80.4 | 92.3 | 174.9 | -158.8 | 162.7 | 1.4 | 0 | 0 | 107.9 | P12 T16 | P12-Q14 VanDerWaalsContact C-N 3.29Å; P12-Q14 PolarHBondContact O-N 3.36Å; Q14-T16 PolarHBondContact O-N 3.07Å | ||
| 15 | R | 49.7 | Very low | 68.3 | Low | 224 Ų | 224 | 117.2 Ų | 117.2 | 85% | 0.845 | 60% | 0.598 | S | S | * | * | trans | -68.1 | 95 | 175.1 | -71.1 | -173 | -179.6 | -175 | 0.9 | 109 | L13 | L13-R15 HydrophobicContact CD2-CG 4.09Å; L13-R15 PolarHBondContact O-N 3.18Å; L13-R15 VanDerWaalsContact O-N 3.08Å | ||
| 16 | T | 49.6 | Very low | 69.5 | Low | 122 Ų | 122 | 113 Ų | 113 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 117 | 167 | 54.4 | 0 | 0 | 0 | 0 | 108.7 | Q14 F18 | Q14-T16 PolarHBondContact O-N 3.07Å; T16-F18 PolarHBondContact O-N 2.93Å |
| 17 | A | 54.8 | Low | 70.5 | Confident | 83 Ų | 83 | 107.9 Ų | 107.9 | 69% | 0.686 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 129.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | I19 | A17-I19 PolarHBondContact O-N 3.33Š|
| 18 | F | 53.2 | Low | 71.4 | Confident | 119 Ų | 119 | 105.1 Ų | 105.1 | 52% | 0.522 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 128.3 | 176.6 | -168.6 | -120.1 | 0 | 0 | 0 | 109.2 | T16 I20 L25 | T16-F18 PolarHBondContact O-N 2.93Å; F18-I20 VanDerWaalsContact C-N 3.32Å; F18-I20 WeakPolarHBondContact CD1-O 3.31Å; F18-I20 HydrophobicContact CE1-CB 3.98Å; F18-I20 WeakPolarHBondContact CE1-O 3.4Å; F18-I20 HydrophobicContact CZ-CB 4.27Å; F18-I20 PolarHBondContact O-N 3.16Å; F18-L25 HydrophobicContact CE1-CB 4.3Å; F18-L25 HydrophobicContact CE1-CD2 4.05Å; F18-L25 HydrophobicContact CE2-CD2 4.27Å; F18-L25 HydrophobicContact CZ-CB 4.32Å; F18-L25 HydrophobicContact CZ-CD1 4.44Å; F18-L25 HydrophobicContact CZ-CD2 3.41Å; F18-L25 VanDerWaalsContact CZ-CD2 3.41Å; F18-L25 HydrophobicContact CZ-CG 4.24Å |
| 19 | I | 63.7 | Low | 72.2 | Confident | 168 Ų | 168 | 101.6 Ų | 101.6 | 86% | 0.862 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -72.6 | -26.3 | -169.4 | -58.6 | 167.3 | 0 | 0 | 0 | 112 | A17 | A17-I19 PolarHBondContact O-N 3.33Š|
| 20 | I | 68.6 | Low | 73 | Confident | 88 Ų | 88 | 101.4 Ų | 101.4 | 45% | 0.451 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -118 | 161.1 | -175.9 | -61.6 | 174.6 | 0 | 0 | 0 | 108.4 | F18 L24 | F18-I20 VanDerWaalsContact C-N 3.32Å; F18-I20 WeakPolarHBondContact CD1-O 3.31Å; F18-I20 HydrophobicContact CE1-CB 3.98Å; F18-I20 WeakPolarHBondContact CE1-O 3.4Å; F18-I20 HydrophobicContact CZ-CB 4.27Å; F18-I20 PolarHBondContact O-N 3.16Å; I20-L24 HydrophobicContact CG2-CD2 3.99Å |
| 21 | S | 78.1 | Confident | 73.8 | Confident | 43 Ų | 43 | 98.3 Ų | 98.3 | 30% | 0.301 | 52% | 0.516 | S | S | . | . | trans | -72.2 | 133.5 | 170.4 | 67.2 | 0 | 0 | 0 | 0 | 110.4 | R23 L24 L25 | S21-R23 PolarHBondContact O-N 2.69Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L24 VanDerWaalsContact O-N 3.17Å; S21-L24 WeakPolarHBondContact OG-CB 3.43Å; S21-L25 PolarHBondContact O-N 2.94Å | ||
| 22 | G | 83.1 | Confident | 74.7 | Confident | 47 Ų | 47 | 94.4 Ų | 94.4 | 49% | 0.485 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.1 | -35.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L25 A26 | G22-L25 PolarHBondContact O-N 2.78Å; G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.25Å |
| 23 | R | 85.2 | Confident | 75.9 | Confident | 140 Ų | 140 | 96 Ų | 96 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.7 | -70.2 | -173.8 | -78.1 | -153.6 | -4.6 | 112.3 | S21 A26 I27 | S21-R23 PolarHBondContact O-N 2.69Å; R23-A26 PolarHBondContact O-N 2.86Å; R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 WeakPolarHBondContact O-CG1 3.1Å; R23-I27 PolarHBondContact O-N 2.81Å; R23-I27 VanDerWaalsContact O-N 3.15Å |
| 24 | L | 85.5 | Confident | 77.5 | Confident | 33 Ų | 33 | 93.5 Ų | 93.5 | 17% | 0.173 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | -179.7 | -171.1 | 149.1 | 0 | 0 | 0 | 111.1 | I20 S21 I27 I28 | I20-L24 HydrophobicContact CG2-CD2 3.99Å; S21-L24 PolarHBondContact O-N 2.7Å; S21-L24 VanDerWaalsContact O-N 3.17Å; S21-L24 WeakPolarHBondContact OG-CB 3.43Å; L24-I27 PolarHBondContact O-N 3.08Å; L24-I28 HydrophobicContact CD2-CD1 3.44Å; L24-I28 VanDerWaalsContact CD2-CD1 3.44Å; L24-I28 HydrophobicContact CD2-CG1 4.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.36Å |
| 25 | L | 86.8 | Confident | 79.2 | Confident | 57 Ų | 57 | 85.9 Ų | 85.9 | 30% | 0.298 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 173.4 | -175.4 | 75.9 | 0 | 0 | 0 | 111.5 | F18 S21 G22 I27 I28 L29 | F18-L25 HydrophobicContact CE1-CB 4.3Å; F18-L25 HydrophobicContact CE1-CD2 4.05Å; F18-L25 HydrophobicContact CE2-CD2 4.27Å; F18-L25 HydrophobicContact CZ-CB 4.32Å; F18-L25 HydrophobicContact CZ-CD1 4.44Å; F18-L25 HydrophobicContact CZ-CD2 3.41Å; F18-L25 VanDerWaalsContact CZ-CD2 3.41Å; F18-L25 HydrophobicContact CZ-CG 4.24Å; S21-L25 PolarHBondContact O-N 2.94Å; G22-L25 PolarHBondContact O-N 2.78Å; L25-I27 VanDerWaalsContact C-N 3.29Å; L25-I27 PolarHBondContact O-N 3.41Å; L25-I28 PolarHBondContact O-N 3.38Å; L25-L29 HydrophobicContact CD1-CD1 4.49Å; L25-L29 HydrophobicContact CD2-CD1 4.17Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.41Å |
| 26 | A | 89.3 | Confident | 81.1 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G22 R23 L29 V30 | G22-A26 WeakPolarHBondContact O-CB 3.31Å; G22-A26 PolarHBondContact O-N 3.25Å; R23-A26 PolarHBondContact O-N 2.86Å; A26-L29 PolarHBondContact O-N 3.49Å; A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.4Å; A26-V30 PolarHBondContact O-N 3.4Å |
| 27 | I | 89.4 | Confident | 83 | Confident | 22 Ų | 22 | 73.9 Ų | 73.9 | 11% | 0.113 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.2 | -51 | 176.4 | -66.3 | 156.1 | 0 | 0 | 0 | 110.6 | R23 L24 L25 L29 V30 F31 V68 F72 | R23-I27 WeakPolarHBondContact O-CD1 3.42Å; R23-I27 WeakPolarHBondContact O-CG1 3.1Å; R23-I27 PolarHBondContact O-N 2.81Å; R23-I27 VanDerWaalsContact O-N 3.15Å; L24-I27 PolarHBondContact O-N 3.08Å; L25-I27 VanDerWaalsContact C-N 3.29Å; L25-I27 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 2.94Å; I27-V30 PolarHBondContact O-N 2.95Å; I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.31Å; I27-F31 PolarHBondContact O-N 2.9Å; I27-F31 VanDerWaalsContact O-N 3.13Å; I27-V68 HydrophobicContact CD1-CG1 3.87Å; I27-V68 HydrophobicContact CG1-CG1 4.02Å; I27-V68 HydrophobicContact CG2-CB 4.15Å; I27-V68 HydrophobicContact CG2-CG1 3.8Å; I27-F72 HydrophobicContact CD1-CB 4Å; I27-F72 HydrophobicContact CD1-CD2 3.38Å; I27-F72 HydrophobicContact CD1-CE2 4.08Å; I27-F72 HydrophobicContact CD1-CG 3.91Å |
| 28 | I | 88.2 | Confident | 84.4 | Confident | 74 Ų | 74 | 72 Ų | 72 | 38% | 0.379 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 179.2 | -68.1 | 175.5 | 0 | 0 | 0 | 110.8 | L24 L25 F31 L32 | L24-I28 HydrophobicContact CD2-CD1 3.44Å; L24-I28 VanDerWaalsContact CD2-CD1 3.44Å; L24-I28 HydrophobicContact CD2-CG1 4.23Å; L24-I28 WeakPolarHBondContact O-CG1 3.41Å; L24-I28 PolarHBondContact O-N 3.36Å; L25-I28 PolarHBondContact O-N 3.38Å; I28-F31 PolarHBondContact O-N 2.92Å; I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 PolarHBondContact O-N 2.86Å |
| 29 | L | 90.7 | Very high | 85.9 | Confident | 89 Ų | 89 | 70.4 Ų | 70.4 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | -179.8 | -72.3 | 174.5 | 0 | 0 | 0 | 112.2 | L25 A26 I27 F31 L32 M33 | L25-L29 HydrophobicContact CD1-CD1 4.49Å; L25-L29 HydrophobicContact CD2-CD1 4.17Å; L25-L29 HydrophobicContact CG-CD1 3.92Å; L25-L29 HydrophobicContact CG-CG 4.31Å; L25-L29 WeakPolarHBondContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.41Å; A26-L29 PolarHBondContact O-N 3.49Å; I27-L29 VanDerWaalsContact C-N 3.3Å; I27-L29 PolarHBondContact O-N 2.94Å; L29-F31 PolarHBondContact O-N 3.18Å; L29-L32 PolarHBondContact O-N 3.43Å; L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å |
| 30 | V | 93.3 | Very high | 87 | Confident | 89 Ų | 89 | 68.8 Ų | 68.8 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 178.1 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | A26 I27 M33 L34 | A26-V30 VanDerWaalsContact O-CG2 3.3Å; A26-V30 WeakPolarHBondContact O-CG2 3.4Å; A26-V30 PolarHBondContact O-N 3.4Å; I27-V30 PolarHBondContact O-N 2.95Å; V30-M33 PolarHBondContact O-N 2.89Å; V30-L34 HydrophobicContact CG1-CD1 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.45Å; V30-L34 VanDerWaalsContact O-N 3.08Å |
| 31 | F | 90.1 | Very high | 87.8 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 10% | 0.096 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.9 | -32.8 | 179.2 | -81 | -79.1 | 0 | 0 | 0 | 113.3 | I27 I28 L29 L34 A35 L61 V65 V68 W189 | I27-F31 HydrophobicContact CG2-CD2 3.91Å; I27-F31 HydrophobicContact CG2-CE2 4.01Å; I27-F31 WeakPolarHBondContact O-CD2 3.31Å; I27-F31 PolarHBondContact O-N 2.9Å; I27-F31 VanDerWaalsContact O-N 3.13Å; I28-F31 PolarHBondContact O-N 2.92Å; L29-F31 PolarHBondContact O-N 3.18Å; F31-L34 HydrophobicContact CD1-CD1 4.35Å; F31-L34 PolarHBondContact O-N 3.05Å; F31-A35 WeakPolarHBondContact O-CB 3.29Å; F31-A35 PolarHBondContact O-N 2.79Å; F31-L61 HydrophobicContact CB-CD2 4.19Å; F31-L61 HydrophobicContact CD1-CD2 4.12Å; F31-L61 HydrophobicContact CD1-CG 3.99Å; F31-V65 HydrophobicContact CB-CB 4.37Å; F31-V65 HydrophobicContact CB-CG1 4.33Å; F31-V65 HydrophobicContact CB-CG2 3.35Å; F31-V65 HydrophobicContact CD1-CB 4.46Å; F31-V65 HydrophobicContact CD1-CG2 3.5Å; F31-V65 HydrophobicContact CD2-CB 4.14Å; F31-V65 HydrophobicContact CD2-CG1 4.11Å; F31-V65 HydrophobicContact CD2-CG2 3.84Å; F31-V65 HydrophobicContact CE1-CG2 4.15Å; F31-V65 HydrophobicContact CE2-CG2 4.47Å; F31-V65 HydrophobicContact CG-CB 4.1Å; F31-V65 HydrophobicContact CG-CG1 4.32Å; F31-V65 HydrophobicContact CG-CG2 3.3Å; F31-V68 HydrophobicContact CE2-CB 4.4Å; F31-V68 HydrophobicContact CE2-CG2 4.29Å; F31-V68 HydrophobicContact CZ-CG2 4.33Å; F31-W189 HydrophobicContact CE1-CH2 4.38Å |
| 32 | L | 91.1 | Very high | 87.9 | Confident | 92 Ų | 92 | 68.4 Ų | 68.4 | 48% | 0.482 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 174.5 | -175.8 | 137.9 | 0 | 0 | 0 | 111.2 | I28 L29 L34 A35 V36 | I28-L32 WeakPolarHBondContact O-CB 3.33Å; I28-L32 PolarHBondContact O-N 2.86Å; L29-L32 PolarHBondContact O-N 3.43Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.76Å; L32-A35 PolarHBondContact O-N 2.97Å; L32-V36 HydrophobicContact CD2-CG2 4.24Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.92Å |
| 33 | M | 93 | Very high | 87.7 | Confident | 132 Ų | 132 | 70.6 Ų | 70.6 | 65% | 0.65 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 174 | -69.2 | -61.9 | -75.5 | 0 | 0 | 111.6 | L29 V30 V36 G37 | L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.31Å; L29-M33 PolarHBondContact O-N 3.44Å; V30-M33 PolarHBondContact O-N 2.89Å; M33-V36 PolarHBondContact O-N 2.9Å; M33-G37 PolarHBondContact O-N 3.49Å |
| 34 | L | 89.8 | Confident | 87.4 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.9 | -70.3 | 172.5 | 0 | 0 | 0 | 111.8 | V30 F31 L32 V36 G37 L38 L61 | V30-L34 HydrophobicContact CG1-CD1 4.47Å; V30-L34 WeakPolarHBondContact O-CG 3.25Å; V30-L34 PolarHBondContact O-N 3.45Å; V30-L34 VanDerWaalsContact O-N 3.08Å; F31-L34 HydrophobicContact CD1-CD1 4.35Å; F31-L34 PolarHBondContact O-N 3.05Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.76Å; L34-V36 PolarHBondContact O-N 3.26Å; L34-G37 PolarHBondContact O-N 3.3Å; L34-L38 WeakPolarHBondContact O-CD1 3.19Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.03Å; L34-L61 HydrophobicContact CB-CD1 3.98Å |
| 35 | A | 89.1 | Confident | 87.1 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F31 L32 L38 L39 M58 L61 | F31-A35 WeakPolarHBondContact O-CB 3.29Å; F31-A35 PolarHBondContact O-N 2.79Å; L32-A35 PolarHBondContact O-N 2.97Å; A35-L38 PolarHBondContact O-N 3.2Å; A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.86Å; A35-M58 HydrophobicContact CB-CE 4.47Å; A35-M58 HydrophobicContact CB-SD 4.37Å; A35-L61 HydrophobicContact CB-CD1 4.11Å; A35-L61 HydrophobicContact CB-CD2 4.12Å |
| 36 | V | 89.6 | Confident | 86.5 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L32 M33 L34 L38 L39 L40 | L32-V36 HydrophobicContact CD2-CG2 4.24Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.48Å; L32-V36 PolarHBondContact O-N 2.92Å; M33-V36 PolarHBondContact O-N 2.9Å; L34-V36 PolarHBondContact O-N 3.26Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.44Å; V36-L39 WeakPolarHBondContact O-CB 3.36Å; V36-L39 PolarHBondContact O-N 3.38Å; V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 2.83Å |
| 37 | G | 89.6 | Confident | 86 | Confident | 29 Ų | 29 | 73 Ų | 73 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M33 L34 L39 L40 I41 | M33-G37 PolarHBondContact O-N 3.49Å; L34-G37 PolarHBondContact O-N 3.3Å; G37-L39 VanDerWaalsContact C-N 3.34Å; G37-L39 PolarHBondContact O-N 2.87Å; G37-L40 PolarHBondContact O-N 2.8Å; G37-I41 WeakPolarHBondContact O-CG1 2.96Å; G37-I41 PolarHBondContact O-N 2.95Å; G37-I41 VanDerWaalsContact O-N 3.17Å |
| 38 | L | 85.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.225 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 176.7 | -69.6 | 161 | 0 | 0 | 0 | 112.6 | L34 A35 V36 L40 I41 L42 W53 I57 L61 | L34-L38 WeakPolarHBondContact O-CD1 3.19Å; L34-L38 VanDerWaalsContact O-CG 3.31Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.03Å; A35-L38 PolarHBondContact O-N 3.2Å; V36-L38 VanDerWaalsContact C-N 3.33Å; V36-L38 PolarHBondContact O-N 3.44Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-I41 PolarHBondContact O-N 3Å; L38-L42 PolarHBondContact O-N 3.08Å; L38-W53 HydrophobicContact CD2-CH2 4.36Å; L38-I57 HydrophobicContact CD1-CG2 3.44Å; L38-I57 VanDerWaalsContact CD1-CG2 3.44Å; L38-I57 HydrophobicContact CD2-CG2 4.18Å; L38-I57 HydrophobicContact CG-CG2 4.25Å; L38-L61 HydrophobicContact CD1-CD1 3.8Å |
| 39 | L | 85.1 | Confident | 84.7 | Confident | 85 Ų | 85 | 81.5 Ų | 81.5 | 45% | 0.445 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68 | -30.5 | 173.6 | -75.9 | 165.4 | 0 | 0 | 0 | 112.9 | A35 V36 G37 L42 M54 | A35-L39 WeakPolarHBondContact O-CB 3.45Å; A35-L39 VanDerWaalsContact O-CG 3.3Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 2.86Å; V36-L39 WeakPolarHBondContact O-CB 3.36Å; V36-L39 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact C-N 3.34Å; G37-L39 PolarHBondContact O-N 2.87Å; L39-L42 HydrophobicContact CD2-CD2 4.32Å; L39-L42 WeakPolarHBondContact O-CB 3.22Å; L39-M54 HydrophobicContact CD2-CE 3.33Å; L39-M54 HydrophobicContact CG-CE 4.03Å |
| 40 | L | 86.9 | Confident | 84.2 | Confident | 134 Ų | 134 | 81.9 Ų | 81.9 | 70% | 0.702 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -75 | -33.2 | 176.2 | -72.2 | 175.2 | 0 | 0 | 0 | 112.8 | V36 G37 L38 L42 P43 | V36-L40 HydrophobicContact CG1-CD1 4.36Å; V36-L40 WeakPolarHBondContact O-CG 3.27Å; V36-L40 PolarHBondContact O-N 2.83Å; G37-L40 PolarHBondContact O-N 2.8Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L40-L42 PolarHBondContact O-N 3.37Å; L40-P43 WeakPolarHBondContact O-CD 3.49Å |
| 41 | I | 85.4 | Confident | 83.6 | Confident | 106 Ų | 106 | 82.7 Ų | 82.7 | 54% | 0.544 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -72.9 | -20.9 | 175.7 | -62.5 | 163.8 | 0 | 0 | 0 | 111 | G37 L38 P43 G44 | G37-I41 WeakPolarHBondContact O-CG1 2.96Å; G37-I41 PolarHBondContact O-N 2.95Å; G37-I41 VanDerWaalsContact O-N 3.17Å; L38-I41 PolarHBondContact O-N 3Å; I41-P43 VanDerWaalsContact C-CD 3.42Å; I41-G44 PolarHBondContact O-N 3Å |
| 42 | L | 78.6 | Confident | 83.1 | Confident | 18 Ų | 18 | 89 Ų | 89 | 9% | 0.094 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -54.3 | -39.4 | -173 | -176.4 | 55 | 0 | 0 | 0 | 116.4 | L38 L39 L40 G44 I45 R50 M54 | L38-L42 PolarHBondContact O-N 3.08Å; L39-L42 HydrophobicContact CD2-CD2 4.32Å; L39-L42 WeakPolarHBondContact O-CB 3.22Å; L40-L42 PolarHBondContact O-N 3.37Å; L42-G44 PolarHBondContact O-N 2.9Å; L42-I45 PolarHBondContact O-N 2.81Å; L42-R50 HydrophobicContact CD1-CG 3.35Å; L42-R50 VanDerWaalsContact CD1-NE 3.33Å; L42-R50 HydrophobicContact CG-CG 4.24Å; L42-M54 HydrophobicContact CB-SD 4.2Å; L42-M54 HydrophobicContact CD1-CG 3.08Å; L42-M54 HydrophobicContact CD1-SD 3.36Å; L42-M54 WeakPolarHBondContact CD1-SD 3.43Å; L42-M54 HydrophobicContact CD2-CE 3.96Å; L42-M54 HydrophobicContact CD2-CG 3.64Å; L42-M54 HydrophobicContact CD2-SD 3.75Å; L42-M54 HydrophobicContact CG-CG 3.91Å; L42-M54 HydrophobicContact CG-SD 3.9Å |
| 43 | P | 79.4 | Confident | 82.7 | Confident | 93 Ų | 93 | 86.1 Ų | 86.1 | 60% | 0.604 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -63.4 | -20.7 | 176.3 | -20.8 | 34.8 | 0 | 0 | 0 | 113.7 | L40 I41 I45 | L40-P43 WeakPolarHBondContact O-CD 3.49Å; I41-P43 VanDerWaalsContact C-CD 3.42Å; P43-I45 VanDerWaalsContact C-N 3.3Å; P43-I45 PolarHBondContact O-N 2.83Å |
| 44 | G | 79.2 | Confident | 82.2 | Confident | 67 Ų | 67 | 80.8 Ų | 80.8 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | G | 310 helix | trans | -76.2 | -11.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I41 L42 | I41-G44 PolarHBondContact O-N 3Å; L42-G44 PolarHBondContact O-N 2.9Å |
| 45 | I | 79.5 | Confident | 82.1 | Confident | 27 Ų | 27 | 81.1 Ų | 81.1 | 14% | 0.138 | 44% | 0.443 | C | S | . | . | S | Bend | trans | -92.3 | 117.8 | -178.1 | -58.3 | 174.4 | 0 | 0 | 0 | 109.8 | L42 P43 R50 W53 | L42-I45 PolarHBondContact O-N 2.81Å; P43-I45 VanDerWaalsContact C-N 3.3Å; P43-I45 PolarHBondContact O-N 2.83Å; I45-R50 HydrophobicContact CG2-CB 4.39Å; I45-W53 HydrophobicContact CD1-CD2 3.6Å; I45-W53 HydrophobicContact CD1-CE3 3.29Å; I45-W53 HydrophobicContact CD1-CG 4.42Å; I45-W53 HydrophobicContact CD1-CH2 3.56Å; I45-W53 HydrophobicContact CD1-CZ2 3.83Å; I45-W53 HydrophobicContact CD1-CZ3 3.28Å |
| 46 | R | 74.9 | Confident | 81.9 | Confident | 177 Ų | 177 | 83 Ų | 83 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | trans | -73.4 | 145.3 | -180 | -70.3 | -179.5 | 175.3 | 146.7 | -1.2 | 112.1 | E290 | R46-E290 VanDerWaalsContact CD-OE1 3.31Å; R46-E290 WeakPolarHBondContact CD-OE1 3.19Å; R46-E290 WeakPolarHBondContact CD-OE2 3.42Å; R46-E290 IonicContact CZ-OE2 3.92Å; R46-E290 IonicContact NE-OE2 3.01Å; R46-E290 PolarHBondContact NE-OE2 2.9Å; R46-E290 IonicContact NH1-OE2 2.6Å; R46-E290 PolarHBondContact NH1-OE2 3.06Å | ||
| 47 | G | 78.1 | Confident | 81.8 | Confident | 60 Ų | 60 | 80.9 Ų | 80.9 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 87.1 | -179.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | T49 R50 | G47-T49 PolarHBondContact O-N 3.23Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.36Å |
| 48 | K | 74.4 | Confident | 81.8 | Confident | 198 Ų | 198 | 83 Ų | 83 | 86% | 0.861 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.4 | -179.4 | -68.4 | 179.4 | 179.7 | 174.6 | 0 | 113.4 | R50 | K48-R50 PolarHBondContact O-N 3.36Š|
| 49 | T | 75.8 | Confident | 82.1 | Confident | 77 Ų | 77 | 83.7 Ų | 83.7 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.5 | -17.2 | 178.6 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | G47 V51 F52 W53 | G47-T49 PolarHBondContact O-N 3.23Å; T49-V51 PolarHBondContact O-N 3.05Å; T49-F52 PolarHBondContact O-N 3.49Å; T49-W53 PolarHBondContact O-N 2.96Å |
| 50 | R | 80.9 | Confident | 82.4 | Confident | 98 Ų | 98 | 80.4 Ų | 80.4 | 37% | 0.37 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -51.6 | -46.4 | 177.3 | 178.6 | -179.6 | 159.5 | 178 | 1.9 | 113.6 | L42 I45 G47 K48 W53 M54 | L42-R50 HydrophobicContact CD1-CG 3.35Å; L42-R50 VanDerWaalsContact CD1-NE 3.33Å; L42-R50 HydrophobicContact CG-CG 4.24Å; I45-R50 HydrophobicContact CG2-CB 4.39Å; G47-R50 WeakPolarHBondContact O-CB 3.38Å; G47-R50 PolarHBondContact O-N 3.36Å; K48-R50 PolarHBondContact O-N 3.36Å; R50-W53 PolarHBondContact O-N 2.9Å; R50-M54 WeakPolarHBondContact O-CG 2.72Å; R50-M54 PolarHBondContact O-N 3.36Å |
| 51 | V | 79.3 | Confident | 82.7 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 64% | 0.636 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -68.2 | -41.7 | -176.6 | 178.9 | 0 | 0 | 0 | 0 | 111 | T49 M54 L55 | T49-V51 PolarHBondContact O-N 3.05Å; V51-M54 PolarHBondContact O-N 3.27Å; V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 PolarHBondContact O-N 3.44Å |
| 52 | F | 80.3 | Confident | 83.1 | Confident | 156 Ų | 156 | 74.9 Ų | 74.9 | 68% | 0.684 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.4 | -40 | 176.5 | -72.6 | -78.6 | 0 | 0 | 0 | 112.2 | T49 R56 | T49-F52 PolarHBondContact O-N 3.49Å; F52-R56 WeakPolarHBondContact O-CB 3.41Å; F52-R56 PolarHBondContact O-N 3.27Å |
| 53 | W | 82.7 | Confident | 83.9 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 12% | 0.117 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.2 | -175.1 | 91 | 0 | 0 | 0 | 111.7 | L38 I45 T49 R50 R56 I57 | L38-W53 HydrophobicContact CD2-CH2 4.36Å; I45-W53 HydrophobicContact CD1-CD2 3.6Å; I45-W53 HydrophobicContact CD1-CE3 3.29Å; I45-W53 HydrophobicContact CD1-CG 4.42Å; I45-W53 HydrophobicContact CD1-CH2 3.56Å; I45-W53 HydrophobicContact CD1-CZ2 3.83Å; I45-W53 HydrophobicContact CD1-CZ3 3.28Å; T49-W53 PolarHBondContact O-N 2.96Å; R50-W53 PolarHBondContact O-N 2.9Å; W53-R56 PolarHBondContact O-N 3.47Å; W53-I57 HydrophobicContact CD2-CD1 3.54Å; W53-I57 HydrophobicContact CD2-CG1 4.45Å; W53-I57 HydrophobicContact CE3-CD1 3.77Å; W53-I57 HydrophobicContact CG-CD1 4.35Å; W53-I57 HydrophobicContact CH2-CD1 3.37Å; W53-I57 HydrophobicContact CZ2-CD1 3.11Å; W53-I57 HydrophobicContact CZ3-CD1 3.69Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.18Å |
| 54 | M | 83.6 | Confident | 84.5 | Confident | 19 Ų | 19 | 70 Ų | 70 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.3 | -48.6 | 175.5 | -81 | -58.4 | -62.1 | 0 | 0 | 113.1 | L39 L42 R50 V51 R56 I57 M58 | L39-M54 HydrophobicContact CD2-CE 3.33Å; L39-M54 HydrophobicContact CG-CE 4.03Å; L42-M54 HydrophobicContact CB-SD 4.2Å; L42-M54 HydrophobicContact CD1-CG 3.08Å; L42-M54 HydrophobicContact CD1-SD 3.36Å; L42-M54 WeakPolarHBondContact CD1-SD 3.43Å; L42-M54 HydrophobicContact CD2-CE 3.96Å; L42-M54 HydrophobicContact CD2-CG 3.64Å; L42-M54 HydrophobicContact CD2-SD 3.75Å; L42-M54 HydrophobicContact CG-CG 3.91Å; L42-M54 HydrophobicContact CG-SD 3.9Å; R50-M54 WeakPolarHBondContact O-CG 2.72Å; R50-M54 PolarHBondContact O-N 3.36Å; V51-M54 PolarHBondContact O-N 3.27Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.18Å; M54-I57 PolarHBondContact O-N 3.42Å; M54-M58 HydrophobicContact CE-CG 3.93Å; M54-M58 HydrophobicContact CE-SD 4.31Å; M54-M58 WeakPolarHBondContact O-CB 3.34Å; M54-M58 VanDerWaalsContact O-CG 3.27Å; M54-M58 WeakPolarHBondContact O-CG 3.02Å; M54-M58 PolarHBondContact O-N 2.84Å |
| 55 | L | 85.8 | Confident | 85.2 | Confident | 103 Ų | 103 | 68 Ų | 68 | 54% | 0.539 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 179.6 | -172.5 | 118.4 | 0 | 0 | 0 | 110.4 | V51 I57 I59 | V51-L55 WeakPolarHBondContact O-CB 3.41Å; V51-L55 PolarHBondContact O-N 3.44Å; L55-I57 PolarHBondContact O-N 2.65Å; L55-I59 HydrophobicContact CD2-CD1 3.5Å; L55-I59 HydrophobicContact CG-CD1 3.65Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 VanDerWaalsContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.38Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.01Å |
| 56 | R | 86.1 | Confident | 86 | Confident | 53 Ų | 53 | 67.1 Ų | 67.1 | 20% | 0.2 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 175.5 | -176.4 | -177.5 | 75.3 | 154.4 | 7.9 | 112 | F52 W53 M54 S60 F196 | F52-R56 WeakPolarHBondContact O-CB 3.41Å; F52-R56 PolarHBondContact O-N 3.27Å; W53-R56 PolarHBondContact O-N 3.47Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.18Å; R56-S60 WeakPolarHBondContact O-CB 3.42Å; R56-S60 PolarHBondContact O-N 2.92Å; R56-F196 PolarHBondContact NH1-O 3.26Å |
| 57 | I | 87.6 | Confident | 86.9 | Confident | 20 Ų | 20 | 58.7 Ų | 58.7 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.9 | -42 | -176.1 | -71.5 | 179.7 | 0 | 0 | 0 | 111.4 | L38 W53 M54 L55 S60 L61 | L38-I57 HydrophobicContact CD1-CG2 3.44Å; L38-I57 VanDerWaalsContact CD1-CG2 3.44Å; L38-I57 HydrophobicContact CD2-CG2 4.18Å; L38-I57 HydrophobicContact CG-CG2 4.25Å; W53-I57 HydrophobicContact CD2-CD1 3.54Å; W53-I57 HydrophobicContact CD2-CG1 4.45Å; W53-I57 HydrophobicContact CE3-CD1 3.77Å; W53-I57 HydrophobicContact CG-CD1 4.35Å; W53-I57 HydrophobicContact CH2-CD1 3.37Å; W53-I57 HydrophobicContact CZ2-CD1 3.11Å; W53-I57 HydrophobicContact CZ3-CD1 3.69Å; W53-I57 WeakPolarHBondContact O-CG1 3.37Å; W53-I57 PolarHBondContact O-N 3.18Å; M54-I57 PolarHBondContact O-N 3.42Å; L55-I57 PolarHBondContact O-N 2.65Å; I57-S60 PolarHBondContact O-N 2.95Å; I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.42Å; I57-L61 PolarHBondContact O-N 3.04Å |
| 58 | M | 89.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 56.6 Ų | 56.6 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 178 | -71.2 | -60.4 | -63.2 | 0 | 0 | 111.9 | A35 M54 L61 F62 | A35-M58 HydrophobicContact CB-CE 4.47Å; A35-M58 HydrophobicContact CB-SD 4.37Å; M54-M58 HydrophobicContact CE-CG 3.93Å; M54-M58 HydrophobicContact CE-SD 4.31Å; M54-M58 WeakPolarHBondContact O-CB 3.34Å; M54-M58 VanDerWaalsContact O-CG 3.27Å; M54-M58 WeakPolarHBondContact O-CG 3.02Å; M54-M58 PolarHBondContact O-N 2.84Å; M58-L61 PolarHBondContact O-N 3.18Å; M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 3.36Å; M58-F62 PolarHBondContact O-N 3.05Å |
| 59 | I | 91.5 | Very high | 88.6 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 29% | 0.292 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.8 | -70.6 | 168.9 | 0 | 0 | 0 | 110.3 | L55 F62 I63 L257 I261 | L55-I59 HydrophobicContact CD2-CD1 3.5Å; L55-I59 HydrophobicContact CG-CD1 3.65Å; L55-I59 HydrophobicContact CG-CG1 4.4Å; L55-I59 VanDerWaalsContact O-CB 3.29Å; L55-I59 WeakPolarHBondContact O-CB 3.38Å; L55-I59 WeakPolarHBondContact O-CD1 3.45Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.01Å; I59-F62 WeakPolarHBondContact O-CB 3.3Å; I59-F62 PolarHBondContact O-N 3.08Å; I59-I63 HydrophobicContact CG2-CD1 3.89Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.81Å; I59-L257 HydrophobicContact CG2-CD2 4.44Å; I59-I261 HydrophobicContact CG2-CD1 3.67Å |
| 60 | S | 92.2 | Very high | 89.4 | Confident | 17 Ų | 17 | 44.6 Ų | 44.6 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 179.1 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | R56 I57 F62 I63 G64 W189 N193 | R56-S60 WeakPolarHBondContact O-CB 3.42Å; R56-S60 PolarHBondContact O-N 2.92Å; I57-S60 PolarHBondContact O-N 2.95Å; S60-F62 VanDerWaalsContact C-N 3.32Å; S60-F62 PolarHBondContact O-N 2.87Å; S60-I63 PolarHBondContact O-N 3.14Å; S60-G64 PolarHBondContact O-N 2.74Å; S60-W189 WeakPolarHBondContact O-CZ2 3.3Å; S60-W189 PolarHBondContact O-NE1 3.09Å; S60-W189 PolarHBondContact OG-NE1 2.98Å; S60-W189 VanDerWaalsContact OG-NE1 3.13Å; S60-N193 WeakPolarHBondContact CB-OD1 3.31Å; S60-N193 PolarHBondContact OG-ND2 3.24Å; S60-N193 PolarHBondContact OG-OD1 2.86Å |
| 61 | L | 92.8 | Very high | 89.9 | Confident | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -42.4 | 177.5 | -171.1 | 148.1 | 0 | 0 | 0 | 110.6 | F31 L34 A35 L38 I57 M58 I63 G64 V65 | F31-L61 HydrophobicContact CB-CD2 4.19Å; F31-L61 HydrophobicContact CD1-CD2 4.12Å; F31-L61 HydrophobicContact CD1-CG 3.99Å; L34-L61 HydrophobicContact CB-CD1 3.98Å; A35-L61 HydrophobicContact CB-CD1 4.11Å; A35-L61 HydrophobicContact CB-CD2 4.12Å; L38-L61 HydrophobicContact CD1-CD1 3.8Å; I57-L61 VanDerWaalsContact O-CB 3.24Å; I57-L61 WeakPolarHBondContact O-CB 3.42Å; I57-L61 PolarHBondContact O-N 3.04Å; M58-L61 PolarHBondContact O-N 3.18Å; L61-I63 PolarHBondContact O-N 3.45Å; L61-G64 PolarHBondContact O-N 2.8Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 2.78Å |
| 62 | F | 93.2 | Very high | 90.4 | Very high | 101 Ų | 101 | 37.2 Ų | 37.2 | 44% | 0.443 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -56.9 | -48.5 | 173.4 | 173.7 | -100.8 | 0 | 0 | 0 | 112.1 | M58 I59 S60 G64 V65 V66 | M58-F62 VanDerWaalsContact O-CB 3.25Å; M58-F62 WeakPolarHBondContact O-CB 3.36Å; M58-F62 PolarHBondContact O-N 3.05Å; I59-F62 WeakPolarHBondContact O-CB 3.3Å; I59-F62 PolarHBondContact O-N 3.08Å; S60-F62 VanDerWaalsContact C-N 3.32Å; S60-F62 PolarHBondContact O-N 2.87Å; F62-G64 VanDerWaalsContact C-N 3.31Å; F62-G64 PolarHBondContact O-N 2.86Å; F62-V65 PolarHBondContact O-N 3.02Å; F62-V66 HydrophobicContact CD1-CG2 4.49Å; F62-V66 HydrophobicContact CD2-CG2 4.14Å; F62-V66 HydrophobicContact CE1-CG2 4.12Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CZ-CG2 3.74Å; F62-V66 VanDerWaalsContact O-CG2 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.11Å; F62-V66 PolarHBondContact O-N 2.91Å |
| 63 | I | 94.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 176.1 | -67.7 | 161.5 | 0 | 0 | 0 | 110.4 | I59 S60 L61 V66 I67 T254 L257 I261 | I59-I63 HydrophobicContact CG2-CD1 3.89Å; I59-I63 VanDerWaalsContact O-CG1 3.3Å; I59-I63 WeakPolarHBondContact O-CG1 3.47Å; I59-I63 PolarHBondContact O-N 2.81Å; S60-I63 PolarHBondContact O-N 3.14Å; L61-I63 PolarHBondContact O-N 3.45Å; I63-V66 PolarHBondContact O-N 3.38Å; I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.4Å; I63-I67 PolarHBondContact O-N 3.29Å; I63-T254 HydrophobicContact CG1-CG2 4.34Å; I63-T254 HydrophobicContact CG2-CG2 4.26Å; I63-L257 HydrophobicContact CD1-CD2 4.4Å; I63-L257 HydrophobicContact CG1-CD2 4.25Å; I63-I261 HydrophobicContact CD1-CD1 4.11Å |
| 64 | G | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.4 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S60 L61 F62 V66 I67 V68 | S60-G64 PolarHBondContact O-N 2.74Å; L61-G64 PolarHBondContact O-N 2.8Å; F62-G64 VanDerWaalsContact C-N 3.31Å; F62-G64 PolarHBondContact O-N 2.86Å; G64-V66 VanDerWaalsContact C-N 3.32Å; G64-V66 PolarHBondContact O-N 2.9Å; G64-I67 PolarHBondContact O-N 3.19Å; G64-V68 WeakPolarHBondContact O-CG2 3.27Å; G64-V68 PolarHBondContact O-N 3.4Å |
| 65 | V | 94.3 | Very high | 91 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 15% | 0.152 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.4 | -48.1 | 177.3 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | F31 L61 F62 V68 A69 | F31-V65 HydrophobicContact CB-CB 4.37Å; F31-V65 HydrophobicContact CB-CG1 4.33Å; F31-V65 HydrophobicContact CB-CG2 3.35Å; F31-V65 HydrophobicContact CD1-CB 4.46Å; F31-V65 HydrophobicContact CD1-CG2 3.5Å; F31-V65 HydrophobicContact CD2-CB 4.14Å; F31-V65 HydrophobicContact CD2-CG1 4.11Å; F31-V65 HydrophobicContact CD2-CG2 3.84Å; F31-V65 HydrophobicContact CE1-CG2 4.15Å; F31-V65 HydrophobicContact CE2-CG2 4.47Å; F31-V65 HydrophobicContact CG-CB 4.1Å; F31-V65 HydrophobicContact CG-CG1 4.32Å; F31-V65 HydrophobicContact CG-CG2 3.3Å; L61-V65 HydrophobicContact CD2-CG2 3.76Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 2.78Å; F62-V65 PolarHBondContact O-N 3.02Å; V65-V68 PolarHBondContact O-N 3.03Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.44Å |
| 66 | V | 94.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 25.9 Ų | 25.9 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | -174.1 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | F62 I63 G64 V68 A69 L70 L250 T254 | F62-V66 HydrophobicContact CD1-CG2 4.49Å; F62-V66 HydrophobicContact CD2-CG2 4.14Å; F62-V66 HydrophobicContact CE1-CG2 4.12Å; F62-V66 HydrophobicContact CE2-CG2 3.75Å; F62-V66 HydrophobicContact CZ-CG2 3.74Å; F62-V66 VanDerWaalsContact O-CG2 3.28Å; F62-V66 WeakPolarHBondContact O-CG2 3.11Å; F62-V66 PolarHBondContact O-N 2.91Å; I63-V66 PolarHBondContact O-N 3.38Å; G64-V66 VanDerWaalsContact C-N 3.32Å; G64-V66 PolarHBondContact O-N 2.9Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 2.87Å; V66-A69 PolarHBondContact O-N 3.24Å; V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 3.95Å; V66-L70 VanDerWaalsContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.48Å; V66-L250 HydrophobicContact CG1-CD1 4.42Å; V66-L250 HydrophobicContact CG1-CD2 3.95Å; V66-L250 HydrophobicContact CG1-CG 3.82Å; V66-T254 HydrophobicContact CB-CG2 4.43Å; V66-T254 HydrophobicContact CG1-CG2 4.18Å; V66-T254 VanDerWaalsContact CG1-OG1 3.31Å; V66-T254 WeakPolarHBondContact CG1-OG1 3.46Å |
| 67 | I | 94.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.2 | -47.5 | 176.4 | -67.3 | 165.9 | 0 | 0 | 0 | 110.9 | I63 G64 N71 L182 F186 W189 T211 I215 | I63-I67 HydrophobicContact CG2-CD1 3.73Å; I63-I67 HydrophobicContact CG2-CG1 4.4Å; I63-I67 VanDerWaalsContact O-CG1 3.28Å; I63-I67 WeakPolarHBondContact O-CG1 3.4Å; I63-I67 PolarHBondContact O-N 3.29Å; G64-I67 PolarHBondContact O-N 3.19Å; I67-N71 PolarHBondContact O-N 3.46Å; I67-L182 WeakPolarHBondContact CG2-O 3.47Å; I67-F186 HydrophobicContact CG2-CB 3.83Å; I67-F186 HydrophobicContact CG2-CD2 4.38Å; I67-W189 HydrophobicContact CD1-CB 4.14Å; I67-W189 HydrophobicContact CD1-CG 4.39Å; I67-T211 HydrophobicContact CD1-CG2 3.97Å; I67-I215 HydrophobicContact CD1-CD1 4.23Å; I67-I215 HydrophobicContact CG1-CD1 4.09Å |
| 68 | V | 94.4 | Very high | 91.6 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 10% | 0.097 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.2 | -42.8 | -179.4 | -177.7 | 0 | 0 | 0 | 0 | 111 | I27 F31 G64 V65 V66 L70 N71 F72 F186 | I27-V68 HydrophobicContact CD1-CG1 3.87Å; I27-V68 HydrophobicContact CG1-CG1 4.02Å; I27-V68 HydrophobicContact CG2-CB 4.15Å; I27-V68 HydrophobicContact CG2-CG1 3.8Å; F31-V68 HydrophobicContact CE2-CB 4.4Å; F31-V68 HydrophobicContact CE2-CG2 4.29Å; F31-V68 HydrophobicContact CZ-CG2 4.33Å; G64-V68 WeakPolarHBondContact O-CG2 3.27Å; G64-V68 PolarHBondContact O-N 3.4Å; V65-V68 PolarHBondContact O-N 3.03Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 PolarHBondContact O-N 2.87Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.23Å; V68-N71 WeakPolarHBondContact O-CB 3.45Å; V68-N71 PolarHBondContact O-N 2.86Å; V68-N71 VanDerWaalsContact O-N 3.15Å; V68-F72 HydrophobicContact CG1-CD2 4Å; V68-F72 HydrophobicContact CG1-CE2 4.01Å; V68-F72 WeakPolarHBondContact O-CD2 3.46Å; V68-F72 PolarHBondContact O-N 3.46Å; V68-F186 HydrophobicContact CG2-CD2 3.55Å; V68-F186 HydrophobicContact CG2-CE2 3.4Å; V68-F186 HydrophobicContact CG2-CG 4.26Å; V68-F186 HydrophobicContact CG2-CZ 4Å |
| 69 | A | 92.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 16% | 0.157 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V65 V66 N71 F72 T73 | V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 3.44Å; V66-A69 PolarHBondContact O-N 3.24Å; A69-N71 VanDerWaalsContact C-N 3.29Å; A69-N71 PolarHBondContact O-N 2.91Å; A69-F72 PolarHBondContact O-N 3.36Å; A69-T73 WeakPolarHBondContact O-CB 3.27Å; A69-T73 PolarHBondContact O-N 3.36Å |
| 70 | L | 92.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -33.4 | 175 | -73 | 171.4 | 0 | 0 | 0 | 112.1 | V66 V68 T73 W76 L182 S247 L250 A251 | V66-L70 HydrophobicContact CG1-CD1 3.59Å; V66-L70 HydrophobicContact CG1-CG 3.95Å; V66-L70 VanDerWaalsContact O-CB 3.27Å; V66-L70 WeakPolarHBondContact O-CB 3.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 3.48Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-L70 PolarHBondContact O-N 3.23Å; L70-T73 WeakPolarHBondContact O-CG2 3.5Å; L70-W76 HydrophobicContact CB-CZ2 4.1Å; L70-W76 WeakPolarHBondContact O-CZ2 3.41Å; L70-W76 PolarHBondContact O-NE1 3.05Å; L70-L182 HydrophobicContact CB-CD1 4.47Å; L70-S247 WeakPolarHBondContact CD2-O 3.26Å; L70-L250 HydrophobicContact CD2-CB 4.48Å; L70-L250 HydrophobicContact CD2-CD2 4.44Å; L70-A251 HydrophobicContact CD1-CB 3.59Å; L70-A251 HydrophobicContact CD2-CB 4.17Å |
| 71 | N | 93.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.8 | -174 | 63.6 | 0 | 0 | 0 | 112 | I67 V68 A69 Y106 S179 L182 W183 | I67-N71 PolarHBondContact O-N 3.46Å; V68-N71 WeakPolarHBondContact O-CB 3.45Å; V68-N71 PolarHBondContact O-N 2.86Å; V68-N71 VanDerWaalsContact O-N 3.15Å; A69-N71 VanDerWaalsContact C-N 3.29Å; A69-N71 PolarHBondContact O-N 2.91Å; N71-Y106 PolarHBondContact ND2-OH 3.44Å; N71-Y106 WeakPolarHBondContact O-CD2 3.25Å; N71-Y106 WeakPolarHBondContact O-CE2 3.4Å; N71-Y106 PolarHBondContact OD1-OH 3.33Å; N71-S179 WeakPolarHBondContact OD1-CA 3.3Å; N71-S179 WeakPolarHBondContact OD1-CB 3.19Å; N71-S179 PolarHBondContact OD1-OG 3Å; N71-L182 HydrophobicContact CB-CB 4.49Å; N71-L182 HydrophobicContact CB-CD1 4.35Å; N71-W183 PolarHBondContact ND2-NE1 3.41Å; N71-W183 VanDerWaalsContact ND2-NE1 3.18Å |
| 72 | F | 89.7 | Confident | 91.3 | Very high | 46 Ų | 46 | 27.8 Ų | 27.8 | 20% | 0.202 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -97.9 | 0.4 | -176.5 | -68.5 | -73.5 | 0 | 0 | 0 | 115.1 | I27 V68 A69 Y106 W183 | I27-F72 HydrophobicContact CD1-CB 4Å; I27-F72 HydrophobicContact CD1-CD2 3.38Å; I27-F72 HydrophobicContact CD1-CE2 4.08Å; I27-F72 HydrophobicContact CD1-CG 3.91Å; V68-F72 HydrophobicContact CG1-CD2 4Å; V68-F72 HydrophobicContact CG1-CE2 4.01Å; V68-F72 WeakPolarHBondContact O-CD2 3.46Å; V68-F72 PolarHBondContact O-N 3.46Å; A69-F72 PolarHBondContact O-N 3.36Å; F72-Y106 HydrophobicContact CD1-CE2 4.28Å; F72-Y106 HydrophobicContact CE1-CE2 4.41Å; F72-W183 HydrophobicContact CE2-CH2 4.21Å; F72-W183 AromaticContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CZ-CH2 4.38Å; F72-W183 AromaticContact CZ-CZ2 3.87Å; F72-W183 HydrophobicContact CZ-CZ2 3.87Å |
| 73 | T | 88.4 | Confident | 91.1 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 8% | 0.08 | 12% | 0.124 | C | C | . | . | trans | -73.1 | 144.7 | 177.9 | -169.1 | 0 | 0 | 0 | 0 | 111.5 | A69 L70 S75 W76 S247 | A69-T73 WeakPolarHBondContact O-CB 3.27Å; A69-T73 PolarHBondContact O-N 3.36Å; L70-T73 WeakPolarHBondContact O-CG2 3.5Å; T73-S75 PolarHBondContact OG1-N 3.04Å; T73-S75 PolarHBondContact OG1-OG 3.37Å; T73-S75 VanDerWaalsContact OG1-OG 3.09Å; T73-W76 HydrophobicContact CG2-CG 4.45Å; T73-S247 PolarHBondContact OG1-OG 3.26Å | ||
| 74 | N | 84.3 | Confident | 90.9 | Very high | 29 Ų | 29 | 28 Ų | 28 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -95.8 | 4.4 | 178.2 | -65.8 | -16.1 | 0 | 0 | 0 | 112.5 | H102 V103 G104 | N74-H102 CarbonylContact O-C 3.49Å; N74-H102 WeakPolarHBondContact O-CB 3.3Å; N74-V103 CarbonylContact O-C 3.55Å; N74-V103 PolarHBondContact O-N 3.33Å; N74-G104 PolarHBondContact O-N 3.29Å |
| 75 | S | 86.7 | Confident | 90.7 | Very high | 28 Ų | 28 | 28.2 Ų | 28.2 | 20% | 0.196 | 15% | 0.15 | C | C | . | . | trans | -125.1 | 59.9 | -170.7 | 61 | 0 | 0 | 0 | 0 | 112.5 | T73 S245 S247 | T73-S75 PolarHBondContact OG1-N 3.04Å; T73-S75 PolarHBondContact OG1-OG 3.37Å; T73-S75 VanDerWaalsContact OG1-OG 3.09Å; S75-S245 VanDerWaalsContact O-CB 3.29Å; S75-S245 WeakPolarHBondContact O-CB 3.48Å; S75-S245 PolarHBondContact O-OG 2.99Å; S75-S247 WeakPolarHBondContact O-CB 3.12Å; S75-S247 PolarHBondContact O-OG 3Å; S75-S247 VanDerWaalsContact O-OG 3.1Å; S75-S247 PolarHBondContact OG-OG 2.94Å | ||
| 76 | W | 91.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -81.7 | -44.1 | 170.9 | -82.6 | 73.3 | 0 | 0 | 0 | 111.7 | L70 T73 V103 L105 L182 F222 S245 F248 A251 | L70-W76 HydrophobicContact CB-CZ2 4.1Å; L70-W76 WeakPolarHBondContact O-CZ2 3.41Å; L70-W76 PolarHBondContact O-NE1 3.05Å; T73-W76 HydrophobicContact CG2-CG 4.45Å; W76-V103 WeakPolarHBondContact CA-O 3.46Å; W76-V103 WeakPolarHBondContact CB-O 3.34Å; W76-V103 PolarHBondContact N-O 3.03Å; W76-L105 HydrophobicContact CD2-CD2 3.73Å; W76-L105 HydrophobicContact CD2-CG 4.24Å; W76-L105 HydrophobicContact CE3-CD2 4.26Å; W76-L105 HydrophobicContact CG-CD2 3.99Å; W76-L105 HydrophobicContact CG-CG 4.31Å; W76-L105 HydrophobicContact CZ2-CD1 3.82Å; W76-L105 HydrophobicContact CZ2-CD2 4.12Å; W76-L105 HydrophobicContact CZ2-CG 4.22Å; W76-L182 HydrophobicContact CH2-CD1 3.98Å; W76-L182 HydrophobicContact CZ2-CD1 3.61Å; W76-F222 HydrophobicContact CB-CD1 4.46Å; W76-F222 HydrophobicContact CB-CD2 4.4Å; W76-F222 HydrophobicContact CB-CE1 3.77Å; W76-F222 HydrophobicContact CB-CE2 3.7Å; W76-F222 HydrophobicContact CB-CZ 3.34Å; W76-F222 HydrophobicContact CD2-CD2 4.45Å; W76-F222 HydrophobicContact CE3-CB 4.18Å; W76-F222 AromaticContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD2 4.05Å; W76-F222 HydrophobicContact CE3-CE1 4.36Å; W76-F222 HydrophobicContact CE3-CE2 4.47Å; W76-F222 AromaticContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CG-CE2 4.26Å; W76-F222 HydrophobicContact CG-CZ 4.32Å; W76-F222 HydrophobicContact CZ3-CB 4.26Å; W76-F222 HydrophobicContact CZ3-CG 4.36Å; W76-S245 PolarHBondContact O-N 3.49Å; W76-F248 HydrophobicContact CE3-CD2 4.17Å; W76-F248 HydrophobicContact CZ3-CD2 4.28Å; W76-A251 HydrophobicContact CH2-CB 4.43Å |
| 77 | A | 90.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.033 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 149.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | V103 F222 E243 | A77-V103 HydrophobicContact CB-CB 4.17Å; A77-V103 HydrophobicContact CB-CG2 4.45Å; A77-V103 PolarHBondContact N-O 3.49Å; A77-V103 PolarHBondContact O-N 3.36Å; A77-F222 HydrophobicContact CB-CE1 4.05Å; A77-F222 HydrophobicContact CB-CZ 4.02Å; A77-E243 CarbonylContact C-O 3.46Å; A77-E243 WeakPolarHBondContact CA-O 3.44Å; A77-E243 WeakPolarHBondContact CB-O 3.06Å |
| 78 | E | 90.4 | Very high | 90 | Very high | 38 Ų | 38 | 34.9 Ų | 34.9 | 18% | 0.178 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 144.1 | -175.4 | -177.2 | 169.8 | -177.3 | 0 | 0 | 110 | R80 L101 H102 E243 S245 | E78-R80 HydrophobicContact CG-CG 4.34Å; E78-R80 IonicContact OE1-CZ 2.7Å; E78-R80 IonicContact OE1-NE 2.79Å; E78-R80 PolarHBondContact OE1-NE 3.22Å; E78-R80 IonicContact OE1-NH2 2.65Å; E78-R80 PolarHBondContact OE1-NH2 2.85Å; E78-L101 CarbonylContact C-O 3.6Å; E78-L101 VanDerWaalsContact CA-O 3.3Å; E78-L101 WeakPolarHBondContact CA-O 3.13Å; E78-H102 IonicContact OE1-CE1 2.83Å; E78-H102 PolarHBondContact OE1-CE1 3.45Å; E78-H102 IonicContact OE1-ND1 3.44Å; E78-H102 IonicContact OE1-NE2 3.8Å; E78-H102 IonicContact OE2-CE1 4Å; E78-H102 IonicContact OE2-ND1 3.11Å; E78-E243 PolarHBondContact N-O 3.17Å; E78-E243 PolarHBondContact O-N 2.85Å; E78-S245 PolarHBondContact OE2-OG 3.27Å |
| 79 | A | 88.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 137.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | G100 L101 F240 V241 T242 | A79-G100 CarbonylContact O-C 3.54Å; A79-G100 VanDerWaalsContact O-CA 3.27Å; A79-G100 WeakPolarHBondContact O-CA 3.15Å; A79-L101 HydrophobicContact CB-CB 4.46Å; A79-L101 PolarHBondContact N-O 2.84Å; A79-L101 PolarHBondContact O-N 2.86Å; A79-F240 HydrophobicContact CB-CD2 3.29Å; A79-F240 HydrophobicContact CB-CE2 3.75Å; A79-F240 HydrophobicContact CB-CG 4.27Å; A79-V241 WeakPolarHBondContact CB-O 3.28Å; A79-T242 HydrophobicContact CB-CG2 4.36Å |
| 80 | R | 89.2 | Confident | 89.3 | Confident | 126 Ų | 126 | 47.5 Ų | 47.5 | 48% | 0.475 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.2 | 177.7 | -68.2 | -179.1 | 179.9 | -83 | -13.4 | 109.6 | E78 E98 V99 H102 | E78-R80 HydrophobicContact CG-CG 4.34Å; E78-R80 IonicContact OE1-CZ 2.7Å; E78-R80 IonicContact OE1-NE 2.79Å; E78-R80 PolarHBondContact OE1-NE 3.22Å; E78-R80 IonicContact OE1-NH2 2.65Å; E78-R80 PolarHBondContact OE1-NH2 2.85Å; R80-E98 WeakPolarHBondContact CD-OE1 3.29Å; R80-E98 IonicContact CZ-OE1 3.94Å; R80-E98 IonicContact NE-OE1 3.1Å; R80-E98 IonicContact NH1-OE1 2.74Å; R80-E98 PolarHBondContact NH1-OE1 2.79Å; R80-V99 WeakPolarHBondContact CA-O 3.31Å; R80-H102 PolarHBondContact NH2-CE1 2.85Å; R80-H102 PolarHBondContact NH2-NE2 3.47Å; R80-H102 VanDerWaalsContact NH2-NE2 3.18Å |
| 81 | M | 89.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 49.2 Ų | 49.2 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 138.7 | 178.3 | 172.7 | 165.2 | 112.2 | 0 | 0 | 110 | T83 E98 V99 I235 D238 F240 | M81-T83 HydrophobicContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-OG1 3.27Å; M81-T83 WeakPolarHBondContact CE-OG1 3.37Å; M81-T83 HydrophobicContact CG-CG2 3.76Å; M81-T83 HydrophobicContact SD-CG2 4.02Å; M81-E98 CarbonylContact O-C 3.52Å; M81-E98 WeakPolarHBondContact O-CA 3.4Å; M81-V99 PolarHBondContact N-O 2.84Å; M81-V99 PolarHBondContact O-N 3.5Å; M81-I235 HydrophobicContact CE-CB 3.77Å; M81-I235 VanDerWaalsContact CE-O 3.3Å; M81-I235 WeakPolarHBondContact CE-O 3.16Å; M81-D238 HydrophobicContact CE-CB 3.66Å; M81-D238 HydrophobicContact CG-CB 4.38Å; M81-D238 HydrophobicContact SD-CB 3.36Å; M81-D238 WeakPolarHBondContact SD-CB 3.27Å; M81-F240 HydrophobicContact CB-CB 4.21Å; M81-F240 HydrophobicContact CB-CD1 4.06Å; M81-F240 HydrophobicContact CB-CG 4.39Å; M81-F240 HydrophobicContact CE-CD1 4.15Å; M81-F240 HydrophobicContact SD-CB 4.15Å; M81-F240 HydrophobicContact SD-CD1 3.79Å; M81-F240 HydrophobicContact SD-CG 4.45Å |
| 82 | T | 90.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 57 Ų | 57 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 109.3 | 174.6 | 51.8 | 0 | 0 | 0 | 0 | 109.5 | A97 E98 | T82-A97 WeakPolarHBondContact CA-O 3.3Å; T82-E98 HydrophobicContact CG2-CB 4.05Å; T82-E98 HydrophobicContact CG2-CG 4.01Å |
| 83 | T | 89.5 | Confident | 88.6 | Confident | 10 Ų | 10 | 55.7 Ų | 55.7 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 164.9 | 180 | 46.8 | 0 | 0 | 0 | 0 | 115 | M81 V85 A97 D238 | M81-T83 HydrophobicContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-CG2 3.42Å; M81-T83 VanDerWaalsContact CE-OG1 3.27Å; M81-T83 WeakPolarHBondContact CE-OG1 3.37Å; M81-T83 HydrophobicContact CG-CG2 3.76Å; M81-T83 HydrophobicContact SD-CG2 4.02Å; T83-V85 WeakPolarHBondContact OG1-CG1 3.35Å; T83-A97 PolarHBondContact N-O 3.11Å; T83-A97 PolarHBondContact O-N 2.78Å; T83-D238 HydrophobicContact CG2-CB 3.66Å; T83-D238 WeakPolarHBondContact CG2-OD2 3.5Å |
| 84 | N | 91 | Very high | 88.6 | Confident | 104 Ų | 104 | 58.6 Ų | 58.6 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115.5 | 170.3 | -67.6 | -19.1 | 0 | 0 | 0 | 108.9 | V94 I95 | N84-V94 HydrophobicContact CB-CG1 3.7Å; N84-I95 CarbonylContact C-O 3.49Å; N84-I95 VanDerWaalsContact CA-O 3.31Å; N84-I95 WeakPolarHBondContact CA-O 3.46Å |
| 85 | V | 89.3 | Confident | 88.9 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.024 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 148.5 | -172 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | T83 Y87 V94 I95 A97 V99 L112 P151 I235 | T83-V85 WeakPolarHBondContact OG1-CG1 3.35Å; V85-Y87 PolarHBondContact O-N 3.3Å; V85-V94 WeakPolarHBondContact O-CA 3.45Å; V85-I95 HydrophobicContact CG2-CD1 4.02Å; V85-I95 HydrophobicContact CG2-CG1 3.62Å; V85-I95 PolarHBondContact N-O 2.84Å; V85-I95 PolarHBondContact O-N 3.44Å; V85-A97 HydrophobicContact CG2-CB 4.3Å; V85-V99 HydrophobicContact CG1-CG2 4.48Å; V85-L112 HydrophobicContact CG2-CD1 4.49Å; V85-P151 HydrophobicContact CB-CG 3.8Å; V85-P151 HydrophobicContact CG1-CG 4.49Å; V85-P151 HydrophobicContact CG2-CG 3.56Å; V85-I235 HydrophobicContact CB-CG2 4.25Å; V85-I235 HydrophobicContact CG1-CG2 3.43Å; V85-I235 VanDerWaalsContact CG1-CG2 3.43Å |
| 86 | T | 90.8 | Very high | 89.2 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 126.9 | 171.6 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | P151 | T86-P151 WeakPolarHBondContact O-CD 3.43Å |
| 87 | Y | 88.7 | Confident | 89.2 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 4% | 0.043 | 32% | 0.318 | C | S | . | . | trans | -84.6 | -57.5 | -169 | 174.1 | -129.5 | 0 | 0 | 0 | 113.1 | V85 A93 I95 E122 I124 Y126 P149 N150 | V85-Y87 PolarHBondContact O-N 3.3Å; Y87-A93 PolarHBondContact N-O 3.45Å; Y87-I95 HydrophobicContact CD2-CD1 3.51Å; Y87-I95 HydrophobicContact CE2-CD1 4.34Å; Y87-I95 HydrophobicContact CG-CD1 3.9Å; Y87-I95 HydrophobicContact CG-CG1 4.48Å; Y87-I95 HydrophobicContact CG-CG2 4.19Å; Y87-E122 WeakPolarHBondContact CE1-OE2 3.39Å; Y87-E122 PolarHBondContact OH-OE2 3.3Å; Y87-I124 HydrophobicContact CE2-CG1 4.43Å; Y87-Y126 HydrophobicContact CE2-CE2 4.02Å; Y87-Y126 PolarHBondContact OH-OH 2.89Å; Y87-P149 HydrophobicContact CD2-CB 4.02Å; Y87-P149 HydrophobicContact CD2-CG 4.25Å; Y87-P149 HydrophobicContact CE2-CB 4.05Å; Y87-P149 HydrophobicContact CE2-CG 3.75Å; Y87-P149 WeakPolarHBondContact O-CA 3.32Å; Y87-N150 PolarHBondContact O-N 2.89Å | ||
| 88 | K | 88.4 | Confident | 89.3 | Confident | 83 Ų | 83 | 62.8 Ų | 62.8 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -138.9 | 152.4 | -171.8 | 67 | -176.6 | 176.7 | -173.2 | 0 | 112.6 | S91 E122 | K88-S91 PolarHBondContact O-N 2.97Å; K88-E122 IonicContact NZ-OE1 3.96Å; K88-E122 PolarHBondContact NZ-OE1 3.13Å |
| 89 | S | 85.3 | Confident | 89.3 | Confident | 76 Ų | 76 | 61 Ų | 61 | 53% | 0.531 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 149.9 | 170.6 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | S91 | S89-S91 PolarHBondContact O-N 3.15Š|
| 90 | F | 87.4 | Confident | 89.5 | Confident | 224 Ų | 224 | 60.8 Ų | 60.8 | 98% | 0.982 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 17.1 | -177 | -49.9 | -80.6 | 0 | 0 | 0 | 115.2 | ||
| 91 | S | 87.8 | Confident | 89.6 | Confident | 40 Ų | 40 | 54.8 Ų | 54.8 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | trans | -136.1 | 135.6 | 170.8 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | K88 S89 A93 | K88-S91 PolarHBondContact O-N 2.97Å; S89-S91 PolarHBondContact O-N 3.15Å; S91-A93 PolarHBondContact O-N 3.18Å; S91-A93 WeakPolarHBondContact OG-CB 3.13Å; S91-A93 PolarHBondContact OG-N 2.88Å | ||
| 92 | N | 85.7 | Confident | 89.7 | Confident | 165 Ų | 165 | 54.9 Ų | 54.9 | 88% | 0.882 | 29% | 0.294 | S | S | * | . | trans | -89.2 | 12.1 | 173 | -63.4 | -16.7 | 0 | 0 | 0 | 111.9 | V94 | N92-V94 PolarHBondContact O-N 3.4Š| ||
| 93 | A | 86.7 | Confident | 89.7 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | trans | -68.8 | 124 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y87 S91 F120 | Y87-A93 PolarHBondContact N-O 3.45Å; S91-A93 PolarHBondContact O-N 3.18Å; S91-A93 WeakPolarHBondContact OG-CB 3.13Å; S91-A93 PolarHBondContact OG-N 2.88Å; A93-F120 HydrophobicContact CB-CD1 4.46Å; A93-F120 HydrophobicContact CB-CD2 4.41Å; A93-F120 HydrophobicContact CB-CE1 4.21Å; A93-F120 HydrophobicContact CB-CE2 4.16Å; A93-F120 HydrophobicContact CB-CZ 4.06Å | ||
| 94 | V | 89.5 | Confident | 89.7 | Confident | 75 Ų | 75 | 50.3 Ų | 50.3 | 46% | 0.455 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.7 | 172.3 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | N84 V85 N92 | N84-V94 HydrophobicContact CB-CG1 3.7Å; V85-V94 WeakPolarHBondContact O-CA 3.45Å; N92-V94 PolarHBondContact O-N 3.4Å |
| 95 | I | 90.5 | Very high | 89.7 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.6 | 178.5 | 59.6 | 170.1 | 0 | 0 | 0 | 109.4 | N84 V85 Y87 A97 L112 F120 I124 | N84-I95 CarbonylContact C-O 3.49Å; N84-I95 VanDerWaalsContact CA-O 3.31Å; N84-I95 WeakPolarHBondContact CA-O 3.46Å; V85-I95 HydrophobicContact CG2-CD1 4.02Å; V85-I95 HydrophobicContact CG2-CG1 3.62Å; V85-I95 PolarHBondContact N-O 2.84Å; V85-I95 PolarHBondContact O-N 3.44Å; Y87-I95 HydrophobicContact CD2-CD1 3.51Å; Y87-I95 HydrophobicContact CE2-CD1 4.34Å; Y87-I95 HydrophobicContact CG-CD1 3.9Å; Y87-I95 HydrophobicContact CG-CG1 4.48Å; Y87-I95 HydrophobicContact CG-CG2 4.19Å; I95-A97 HydrophobicContact CD1-CB 4Å; I95-A97 HydrophobicContact CG1-CB 4.27Å; I95-L112 HydrophobicContact CD1-CD2 4.41Å; I95-F120 HydrophobicContact CG2-CD2 3.82Å; I95-F120 HydrophobicContact CG2-CE2 3.8Å; I95-I124 HydrophobicContact CB-CD1 4.13Å; I95-I124 HydrophobicContact CD1-CD1 3.84Å; I95-I124 HydrophobicContact CD1-CG2 4.17Å; I95-I124 HydrophobicContact CG2-CD1 3.77Å |
| 96 | Q | 92 | Very high | 89.6 | Confident | 98 Ų | 98 | 47.5 Ų | 47.5 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 110.5 | 168.1 | -173.1 | 173.4 | 13.4 | 0 | 0 | 108.1 | N115 Q119 | Q96-N115 PolarHBondContact O-N 3.18Å; Q96-Q119 VanDerWaalsContact N-OE1 3.17Å; Q96-Q119 PolarHBondContact O-NE2 3.49Å |
| 97 | A | 91.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T82 T83 V85 I95 L112 R113 | T82-A97 WeakPolarHBondContact CA-O 3.3Å; T83-A97 PolarHBondContact N-O 3.11Å; T83-A97 PolarHBondContact O-N 2.78Å; V85-A97 HydrophobicContact CG2-CB 4.3Å; I95-A97 HydrophobicContact CD1-CB 4Å; I95-A97 HydrophobicContact CG1-CB 4.27Å; A97-L112 HydrophobicContact CB-CD1 3.61Å; A97-L112 HydrophobicContact CB-CG 4.38Å; A97-R113 CarbonylContact C-O 3.18Å; A97-R113 VanDerWaalsContact CA-O 3.27Å; A97-R113 WeakPolarHBondContact CA-O 3.45Å |
| 98 | E | 92.4 | Very high | 89.6 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.229 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.3 | 164.2 | -169.5 | -173.1 | 159.7 | 0 | 0 | 108.5 | R80 M81 T82 L112 R113 | R80-E98 WeakPolarHBondContact CD-OE1 3.29Å; R80-E98 IonicContact CZ-OE1 3.94Å; R80-E98 IonicContact NE-OE1 3.1Å; R80-E98 IonicContact NH1-OE1 2.74Å; R80-E98 PolarHBondContact NH1-OE1 2.79Å; M81-E98 CarbonylContact O-C 3.52Å; M81-E98 WeakPolarHBondContact O-CA 3.4Å; T82-E98 HydrophobicContact CG2-CB 4.05Å; T82-E98 HydrophobicContact CG2-CG 4.01Å; E98-L112 WeakPolarHBondContact O-CA 3.13Å; E98-R113 HydrophobicContact CB-CB 4.49Å; E98-R113 PolarHBondContact N-O 3.46Å; E98-R113 PolarHBondContact O-N 2.94Å |
| 99 | V | 91.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.1 | 173 | -174.7 | 0 | 0 | 0 | 0 | 107.7 | R80 M81 V85 T111 L112 P151 I155 I235 | R80-V99 WeakPolarHBondContact CA-O 3.31Å; M81-V99 PolarHBondContact N-O 2.84Å; M81-V99 PolarHBondContact O-N 3.5Å; V85-V99 HydrophobicContact CG1-CG2 4.48Å; V99-T111 WeakPolarHBondContact CA-O 3.11Å; V99-L112 HydrophobicContact CG2-CD1 3.72Å; V99-P151 HydrophobicContact CG2-CB 4.41Å; V99-I155 HydrophobicContact CG1-CD1 3.43Å; V99-I155 VanDerWaalsContact CG1-CD1 3.43Å; V99-I235 HydrophobicContact CG1-CD1 4.23Å |
| 100 | G | 91.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A79 V110 T111 | A79-G100 CarbonylContact O-C 3.54Å; A79-G100 VanDerWaalsContact O-CA 3.27Å; A79-G100 WeakPolarHBondContact O-CA 3.15Å; G100-V110 WeakPolarHBondContact O-CA 3.3Å; G100-T111 WeakPolarHBondContact CA-OG1 3.39Å; G100-T111 PolarHBondContact N-O 3.45Å; G100-T111 PolarHBondContact N-OG1 3.29Å; G100-T111 PolarHBondContact O-N 3.1Å; G100-T111 PolarHBondContact O-OG1 3.49Å; G100-T111 VanDerWaalsContact O-OG1 3.08Å |
| 101 | L | 91.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 118.8 | 170.2 | 172.4 | 62.3 | 0 | 0 | 0 | 108.9 | E78 A79 V103 I108 V110 I155 F159 F233 F240 T242 | E78-L101 CarbonylContact C-O 3.6Å; E78-L101 VanDerWaalsContact CA-O 3.3Å; E78-L101 WeakPolarHBondContact CA-O 3.13Å; A79-L101 HydrophobicContact CB-CB 4.46Å; A79-L101 PolarHBondContact N-O 2.84Å; A79-L101 PolarHBondContact O-N 2.86Å; L101-V103 HydrophobicContact CD1-CG2 4.37Å; L101-V103 HydrophobicContact CD2-CG2 4.4Å; L101-V103 HydrophobicContact CG-CG2 4.13Å; L101-I108 HydrophobicContact CD1-CB 4.13Å; L101-I108 HydrophobicContact CD1-CG2 4.2Å; L101-V110 HydrophobicContact CD1-CG2 4.16Å; L101-I155 HydrophobicContact CD1-CG2 3.93Å; L101-I155 HydrophobicContact CD2-CG2 4.41Å; L101-F159 HydrophobicContact CD1-CE2 4.2Å; L101-F159 HydrophobicContact CD2-CE2 4.02Å; L101-F159 HydrophobicContact CD2-CZ 4.08Å; L101-F233 HydrophobicContact CD2-CE1 4.32Å; L101-F233 HydrophobicContact CD2-CE2 4.22Å; L101-F233 HydrophobicContact CD2-CZ 3.92Å; L101-F240 HydrophobicContact CB-CE2 4.06Å; L101-F240 HydrophobicContact CD2-CE2 4.21Å; L101-T242 HydrophobicContact CD2-CG2 3.99Å |
| 102 | H | 91.4 | Very high | 90.4 | Very high | 22 Ų | 22 | 25.2 Ų | 25.2 | 10% | 0.102 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 120.3 | 174.9 | -64.8 | -88.4 | 0 | 0 | 0 | 109.2 | N74 E78 R80 I108 N109 | N74-H102 CarbonylContact O-C 3.49Å; N74-H102 WeakPolarHBondContact O-CB 3.3Å; E78-H102 IonicContact OE1-CE1 2.83Å; E78-H102 PolarHBondContact OE1-CE1 3.45Å; E78-H102 IonicContact OE1-ND1 3.44Å; E78-H102 IonicContact OE1-NE2 3.8Å; E78-H102 IonicContact OE2-CE1 4Å; E78-H102 IonicContact OE2-ND1 3.11Å; R80-H102 PolarHBondContact NH2-CE1 2.85Å; R80-H102 PolarHBondContact NH2-NE2 3.47Å; R80-H102 VanDerWaalsContact NH2-NE2 3.18Å; H102-I108 CarbonylContact O-C 3.52Å; H102-I108 WeakPolarHBondContact O-CA 3.47Å; H102-N109 HydrophobicContact CB-CB 4.12Å; H102-N109 WeakPolarHBondContact CB-O 3.37Å; H102-N109 PolarHBondContact N-O 2.81Å; H102-N109 PolarHBondContact O-N 2.81Å |
| 103 | V | 90.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.8 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | N74 W76 A77 L101 I108 W132 Y171 F222 T242 | N74-V103 CarbonylContact O-C 3.55Å; N74-V103 PolarHBondContact O-N 3.33Å; W76-V103 WeakPolarHBondContact CA-O 3.46Å; W76-V103 WeakPolarHBondContact CB-O 3.34Å; W76-V103 PolarHBondContact N-O 3.03Å; A77-V103 HydrophobicContact CB-CB 4.17Å; A77-V103 HydrophobicContact CB-CG2 4.45Å; A77-V103 PolarHBondContact N-O 3.49Å; A77-V103 PolarHBondContact O-N 3.36Å; L101-V103 HydrophobicContact CD1-CG2 4.37Å; L101-V103 HydrophobicContact CD2-CG2 4.4Å; L101-V103 HydrophobicContact CG-CG2 4.13Å; V103-I108 HydrophobicContact CB-CG2 4.48Å; V103-I108 HydrophobicContact CG1-CG2 4.32Å; V103-I108 HydrophobicContact CG2-CG2 4.19Å; V103-W132 HydrophobicContact CG1-CZ2 4.37Å; V103-Y171 HydrophobicContact CB-CE1 4.33Å; V103-Y171 HydrophobicContact CG1-CD1 3.44Å; V103-Y171 VanDerWaalsContact CG1-CD1 3.44Å; V103-Y171 HydrophobicContact CG1-CE1 3.61Å; V103-Y171 HydrophobicContact CG2-CE1 4.04Å; V103-F222 HydrophobicContact CG1-CZ 4.48Å; V103-T242 HydrophobicContact CG2-CG2 4.49Å |
| 104 | G | 91 | Very high | 91 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -105.1 | -178.7 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | N74 G107 W132 | N74-G104 PolarHBondContact O-N 3.29Å; G104-G107 CarbonylContact C-O 3.47Å; G104-G107 WeakPolarHBondContact CA-O 3.37Å; G104-G107 PolarHBondContact N-O 3.09Å; G104-W132 PolarHBondContact O-NE1 2.91Å | ||
| 105 | L | 89.9 | Confident | 91.1 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -73.8 | -28.4 | 176.9 | -58.3 | -177.9 | 0 | 0 | 0 | 113.1 | W76 W132 A178 L182 F222 | W76-L105 HydrophobicContact CD2-CD2 3.73Å; W76-L105 HydrophobicContact CD2-CG 4.24Å; W76-L105 HydrophobicContact CE3-CD2 4.26Å; W76-L105 HydrophobicContact CG-CD2 3.99Å; W76-L105 HydrophobicContact CG-CG 4.31Å; W76-L105 HydrophobicContact CZ2-CD1 3.82Å; W76-L105 HydrophobicContact CZ2-CD2 4.12Å; W76-L105 HydrophobicContact CZ2-CG 4.22Å; L105-W132 PolarHBondContact O-NE1 2.93Å; L105-A178 HydrophobicContact CD2-CB 3.77Å; L105-L182 HydrophobicContact CD1-CD1 3.6Å; L105-F222 HydrophobicContact CD2-CD2 3.95Å; L105-F222 HydrophobicContact CD2-CE2 4.26Å |
| 106 | Y | 88.3 | Confident | 91.1 | Very high | 47 Ų | 47 | 28 Ų | 28 | 18% | 0.184 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -108.5 | -5.2 | -174.2 | -67.8 | -71.3 | 0 | 0 | 0 | 114.3 | N71 F72 S131 W132 H133 S179 W183 | N71-Y106 PolarHBondContact ND2-OH 3.44Å; N71-Y106 WeakPolarHBondContact O-CD2 3.25Å; N71-Y106 WeakPolarHBondContact O-CE2 3.4Å; N71-Y106 PolarHBondContact OD1-OH 3.33Å; F72-Y106 HydrophobicContact CD1-CE2 4.28Å; F72-Y106 HydrophobicContact CE1-CE2 4.41Å; Y106-S131 WeakPolarHBondContact O-CA 3.41Å; Y106-S131 PolarHBondContact O-OG 3.42Å; Y106-W132 PolarHBondContact O-N 2.8Å; Y106-H133 AromaticContact CD1-CE1 3.73Å; Y106-S179 VanDerWaalsContact CZ-OG 3.31Å; Y106-S179 PolarHBondContact OH-OG 3.37Å; Y106-W183 PolarHBondContact OH-NE1 3Å |
| 107 | G | 89.1 | Confident | 91 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.5 | -175 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G104 F130 | G104-G107 CarbonylContact C-O 3.47Å; G104-G107 WeakPolarHBondContact CA-O 3.37Å; G104-G107 PolarHBondContact N-O 3.09Å; G107-F130 CarbonylContact C-O 3.56Å; G107-F130 WeakPolarHBondContact CA-O 3.41Å |
| 108 | I | 90.5 | Very high | 90.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 152.2 | 168.7 | 55.3 | 176.4 | 0 | 0 | 0 | 109.9 | L101 H102 V103 V110 M129 F130 W132 F159 | L101-I108 HydrophobicContact CD1-CB 4.13Å; L101-I108 HydrophobicContact CD1-CG2 4.2Å; H102-I108 CarbonylContact O-C 3.52Å; H102-I108 WeakPolarHBondContact O-CA 3.47Å; V103-I108 HydrophobicContact CB-CG2 4.48Å; V103-I108 HydrophobicContact CG1-CG2 4.32Å; V103-I108 HydrophobicContact CG2-CG2 4.19Å; I108-V110 HydrophobicContact CD1-CG2 4.4Å; I108-M129 WeakPolarHBondContact O-CA 3.42Å; I108-F130 HydrophobicContact CG1-CB 3.92Å; I108-F130 HydrophobicContact CG1-CD2 4.47Å; I108-F130 PolarHBondContact N-O 2.85Å; I108-F130 PolarHBondContact O-N 3.16Å; I108-W132 HydrophobicContact CB-CH2 4.42Å; I108-W132 HydrophobicContact CG2-CH2 3.34Å; I108-W132 HydrophobicContact CG2-CZ2 3.58Å; I108-W132 HydrophobicContact CG2-CZ3 4.23Å; I108-F159 HydrophobicContact CD1-CB 4.11Å; I108-F159 HydrophobicContact CD1-CD2 3.5Å; I108-F159 VanDerWaalsContact CD1-CD2 3.5Å; I108-F159 HydrophobicContact CD1-CE2 4.02Å; I108-F159 HydrophobicContact CD1-CG 3.85Å; I108-F159 HydrophobicContact CG2-CE1 4.35Å; I108-F159 HydrophobicContact CG2-CE2 4.48Å; I108-F159 HydrophobicContact CG2-CZ 4.29Å |
| 109 | N | 91.3 | Very high | 90.7 | Very high | 19 Ų | 19 | 29.3 Ų | 29.3 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 122.2 | 171.2 | -178.6 | 15 | 0 | 0 | 0 | 108.5 | H102 N127 E128 | H102-N109 HydrophobicContact CB-CB 4.12Å; H102-N109 WeakPolarHBondContact CB-O 3.37Å; H102-N109 PolarHBondContact N-O 2.81Å; H102-N109 PolarHBondContact O-N 2.81Å; N109-N127 VanDerWaalsContact CG-OD1 3.24Å; N109-N127 PolarHBondContact ND2-OD1 3.43Å; N109-N127 PolarHBondContact OD1-OD1 3.19Å; N109-E128 WeakPolarHBondContact CA-O 3.49Å; N109-E128 PolarHBondContact OD1-O 3.49Å |
| 110 | V | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.3 | -178.2 | -172 | 0 | 0 | 0 | 0 | 108.5 | G100 L101 I108 E128 I152 I155 V156 | G100-V110 WeakPolarHBondContact O-CA 3.3Å; L101-V110 HydrophobicContact CD1-CG2 4.16Å; I108-V110 HydrophobicContact CD1-CG2 4.4Å; V110-E128 PolarHBondContact N-O 2.75Å; V110-E128 PolarHBondContact O-N 2.96Å; V110-I152 HydrophobicContact CB-CG2 4.26Å; V110-I152 HydrophobicContact CG1-CB 4.39Å; V110-I152 HydrophobicContact CG1-CG1 4.11Å; V110-I152 HydrophobicContact CG1-CG2 4.23Å; V110-I155 HydrophobicContact CG1-CB 4.44Å; V110-I155 HydrophobicContact CG1-CD1 3.85Å; V110-I155 HydrophobicContact CG1-CG2 4.45Å; V110-I155 HydrophobicContact CG2-CB 4.45Å; V110-I155 HydrophobicContact CG2-CG2 3.83Å; V110-V156 HydrophobicContact CG2-CG2 4.25Å |
| 111 | T | 91.4 | Very high | 90.4 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.1 | 179.8 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | V99 G100 Y126 | V99-T111 WeakPolarHBondContact CA-O 3.11Å; G100-T111 WeakPolarHBondContact CA-OG1 3.39Å; G100-T111 PolarHBondContact N-O 3.45Å; G100-T111 PolarHBondContact N-OG1 3.29Å; G100-T111 PolarHBondContact O-N 3.1Å; G100-T111 PolarHBondContact O-OG1 3.49Å; G100-T111 VanDerWaalsContact O-OG1 3.08Å; T111-Y126 VanDerWaalsContact CA-O 3.31Å; T111-Y126 WeakPolarHBondContact CA-O 3.27Å |
| 112 | L | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 108.2 | 173.4 | 179.4 | 72.7 | 0 | 0 | 0 | 108.1 | V85 I95 A97 E98 V99 I124 N125 Y126 P149 P151 I152 | V85-L112 HydrophobicContact CG2-CD1 4.49Å; I95-L112 HydrophobicContact CD1-CD2 4.41Å; A97-L112 HydrophobicContact CB-CD1 3.61Å; A97-L112 HydrophobicContact CB-CG 4.38Å; E98-L112 WeakPolarHBondContact O-CA 3.13Å; V99-L112 HydrophobicContact CG2-CD1 3.72Å; L112-I124 HydrophobicContact CD2-CG2 4.25Å; L112-I124 HydrophobicContact CG-CG2 4.1Å; L112-N125 WeakPolarHBondContact O-CA 3.07Å; L112-Y126 HydrophobicContact CB-CD2 4.45Å; L112-Y126 HydrophobicContact CD2-CD2 4.16Å; L112-Y126 PolarHBondContact N-O 3.17Å; L112-Y126 PolarHBondContact O-N 3.19Å; L112-P149 HydrophobicContact CD2-CB 3.59Å; L112-P149 HydrophobicContact CD2-CG 3.89Å; L112-P151 HydrophobicContact CD1-CB 4.33Å; L112-P151 HydrophobicContact CD1-CG 4.34Å; L112-I152 HydrophobicContact CB-CD1 4Å; L112-I152 HydrophobicContact CB-CG1 4.12Å; L112-I152 HydrophobicContact CD2-CD1 4.45Å; L112-I152 HydrophobicContact CD2-CG1 4.46Å |
| 113 | R | 92.6 | Very high | 90.1 | Very high | 129 Ų | 129 | 50 Ų | 50 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 121.6 | -176.7 | -172.7 | 179.8 | -176.9 | -175.2 | 1.5 | 110.7 | A97 E98 | A97-R113 CarbonylContact C-O 3.18Å; A97-R113 VanDerWaalsContact CA-O 3.27Å; A97-R113 WeakPolarHBondContact CA-O 3.45Å; E98-R113 HydrophobicContact CB-CB 4.49Å; E98-R113 PolarHBondContact N-O 3.46Å; E98-R113 PolarHBondContact O-N 2.94Å |
| 114 | G | 91.7 | Very high | 90 | Very high | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 144.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P116 I117 I124 | G114-P116 CarbonylContact C-O 3.01Å; G114-P116 WeakPolarHBondContact CA-O 3.45Å; G114-P116 CarbonylContact O-C 3.44Å; G114-I117 WeakPolarHBondContact O-CA 3.34Å; G114-I117 PolarHBondContact O-N 3.35Å; G114-I124 PolarHBondContact N-O 3.44Å |
| 115 | N | 91.4 | Very high | 89.9 | Confident | 98 Ų | 98 | 54.4 Ų | 54.4 | 52% | 0.524 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 93.2 | 168.7 | -174 | 15.1 | 0 | 0 | 0 | 110.1 | Q96 Q119 | Q96-N115 PolarHBondContact O-N 3.18Å; N115-Q119 VanDerWaalsContact C-NE2 3.35Å; N115-Q119 VanDerWaalsContact N-NE2 3.18Å; N115-Q119 PolarHBondContact O-NE2 2.93Å |
| 116 | P | 91.3 | Very high | 89.9 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -74.4 | 167.1 | 3.4 | 31.9 | -36.4 | 0 | 0 | 0 | 113.4 | G114 V118 Q119 | G114-P116 CarbonylContact C-O 3.01Å; G114-P116 WeakPolarHBondContact CA-O 3.45Å; G114-P116 CarbonylContact O-C 3.44Å; P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 2.97Å; P116-Q119 HydrophobicContact CG-CG 4.25Å; P116-Q119 VanDerWaalsContact O-CG 3.31Å; P116-Q119 WeakPolarHBondContact O-CG 3.31Å; P116-Q119 PolarHBondContact O-NE2 3.42Å |
| 117 | I | 88.5 | Confident | 90 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 32% | 0.323 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | -36.6 | -174.5 | -61.5 | 171 | 0 | 0 | 0 | 112.1 | G114 T123 I124 N125 | G114-I117 WeakPolarHBondContact O-CA 3.34Å; G114-I117 PolarHBondContact O-N 3.35Å; I117-T123 HydrophobicContact CG2-CG2 3.81Å; I117-I124 PolarHBondContact O-N 3.27Å; I117-N125 HydrophobicContact CG2-CB 4.48Å |
| 118 | V | 91 | Very high | 90 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 53% | 0.533 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 112.3 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | P116 E122 | P116-V118 VanDerWaalsContact C-N 3.31Å; P116-V118 PolarHBondContact O-N 2.97Å; V118-E122 VanDerWaalsContact CA-O 3.31Å; V118-E122 WeakPolarHBondContact CA-O 3.21Å |
| 119 | Q | 88.4 | Confident | 89.9 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 142.9 | 174 | -61 | 177 | 37.7 | 0 | 0 | 108.4 | Q96 N115 P116 N121 E122 I124 | Q96-Q119 VanDerWaalsContact N-OE1 3.17Å; Q96-Q119 PolarHBondContact O-NE2 3.49Å; N115-Q119 VanDerWaalsContact C-NE2 3.35Å; N115-Q119 VanDerWaalsContact N-NE2 3.18Å; N115-Q119 PolarHBondContact O-NE2 2.93Å; P116-Q119 HydrophobicContact CG-CG 4.25Å; P116-Q119 VanDerWaalsContact O-CG 3.31Å; P116-Q119 WeakPolarHBondContact O-CG 3.31Å; P116-Q119 PolarHBondContact O-NE2 3.42Å; Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 VanDerWaalsContact O-N 3.16Å; Q119-E122 PolarHBondContact N-O 3.28Å; Q119-E122 PolarHBondContact O-N 3.08Å; Q119-E122 VanDerWaalsContact O-O 3.13Å; Q119-I124 HydrophobicContact CB-CD1 3.84Å; Q119-I124 HydrophobicContact CG-CD1 4.34Å |
| 120 | F | 86.6 | Confident | 89.7 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 58% | 0.583 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 38.2 | 179.9 | -57.1 | -79.3 | 0 | 0 | 0 | 113.9 | A93 I95 E122 | A93-F120 HydrophobicContact CB-CD1 4.46Å; A93-F120 HydrophobicContact CB-CD2 4.41Å; A93-F120 HydrophobicContact CB-CE1 4.21Å; A93-F120 HydrophobicContact CB-CE2 4.16Å; A93-F120 HydrophobicContact CB-CZ 4.06Å; I95-F120 HydrophobicContact CG2-CD2 3.82Å; I95-F120 HydrophobicContact CG2-CE2 3.8Å; F120-E122 PolarHBondContact O-N 3.34Å |
| 121 | N | 88.9 | Confident | 89.6 | Confident | 168 Ų | 168 | 65.8 Ų | 65.8 | 90% | 0.898 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 18.2 | -175.4 | -64.8 | -16.3 | 0 | 0 | 0 | 115.1 | Q119 | Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 VanDerWaalsContact O-N 3.16Å |
| 122 | E | 87.1 | Confident | 89.2 | Confident | 60 Ų | 60 | 65.9 Ų | 65.9 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 147.8 | 176.3 | -66 | -175.2 | -150.9 | 0 | 0 | 110.7 | Y87 K88 V118 Q119 F120 | Y87-E122 WeakPolarHBondContact CE1-OE2 3.39Å; Y87-E122 PolarHBondContact OH-OE2 3.3Å; K88-E122 IonicContact NZ-OE1 3.96Å; K88-E122 PolarHBondContact NZ-OE1 3.13Å; V118-E122 VanDerWaalsContact CA-O 3.31Å; V118-E122 WeakPolarHBondContact CA-O 3.21Å; Q119-E122 PolarHBondContact N-O 3.28Å; Q119-E122 PolarHBondContact O-N 3.08Å; Q119-E122 VanDerWaalsContact O-O 3.13Å; F120-E122 PolarHBondContact O-N 3.34Å |
| 123 | T | 89.5 | Confident | 88.1 | Confident | 97 Ų | 97 | 71.3 Ų | 71.3 | 60% | 0.595 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.9 | 177 | -57.9 | 0 | 0 | 0 | 0 | 109.1 | I117 N125 | I117-T123 HydrophobicContact CG2-CG2 3.81Å; T123-N125 PolarHBondContact O-N 2.89Å |
| 124 | I | 88.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 91.2 | -175.8 | -53.7 | 168.8 | 0 | 0 | 0 | 108.6 | Y87 I95 L112 G114 I117 Q119 Y126 | Y87-I124 HydrophobicContact CE2-CG1 4.43Å; I95-I124 HydrophobicContact CB-CD1 4.13Å; I95-I124 HydrophobicContact CD1-CD1 3.84Å; I95-I124 HydrophobicContact CD1-CG2 4.17Å; I95-I124 HydrophobicContact CG2-CD1 3.77Å; L112-I124 HydrophobicContact CD2-CG2 4.25Å; L112-I124 HydrophobicContact CG-CG2 4.1Å; G114-I124 PolarHBondContact N-O 3.44Å; I117-I124 PolarHBondContact O-N 3.27Å; Q119-I124 HydrophobicContact CB-CD1 3.84Å; Q119-I124 HydrophobicContact CG-CD1 4.34Å; I124-Y126 HydrophobicContact CG2-CD2 4.23Å; I124-Y126 HydrophobicContact CG2-CE2 4.27Å |
| 125 | N | 89.7 | Confident | 85.2 | Confident | 94 Ų | 94 | 73.7 Ų | 73.7 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 75 | 175.7 | -173.2 | 21.7 | 0 | 0 | 0 | 110.2 | L112 I117 T123 | L112-N125 WeakPolarHBondContact O-CA 3.07Å; I117-N125 HydrophobicContact CG2-CB 4.48Å; T123-N125 PolarHBondContact O-N 2.89Å |
| 126 | Y | 89.5 | Confident | 84.1 | Confident | 62 Ų | 62 | 70 Ų | 70 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142.1 | -179.4 | -62.7 | -93.4 | 0 | 0 | 0 | 110.7 | Y87 T111 L112 I124 P149 I152 | Y87-Y126 HydrophobicContact CE2-CE2 4.02Å; Y87-Y126 PolarHBondContact OH-OH 2.89Å; T111-Y126 VanDerWaalsContact CA-O 3.31Å; T111-Y126 WeakPolarHBondContact CA-O 3.27Å; L112-Y126 HydrophobicContact CB-CD2 4.45Å; L112-Y126 HydrophobicContact CD2-CD2 4.16Å; L112-Y126 PolarHBondContact N-O 3.17Å; L112-Y126 PolarHBondContact O-N 3.19Å; I124-Y126 HydrophobicContact CG2-CD2 4.23Å; I124-Y126 HydrophobicContact CG2-CE2 4.27Å; Y126-P149 HydrophobicContact CD1-CG 4.31Å; Y126-P149 HydrophobicContact CD2-CG 3.99Å; Y126-P149 HydrophobicContact CE1-CG 4.06Å; Y126-P149 HydrophobicContact CE2-CG 3.72Å; Y126-P149 HydrophobicContact CG-CG 4.28Å; Y126-I152 HydrophobicContact CG-CD1 4.1Å |
| 127 | N | 90.1 | Very high | 83.4 | Confident | 96 Ų | 96 | 70.9 Ų | 70.9 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 86.2 | 177.8 | -177.8 | 31 | 0 | 0 | 0 | 107.1 | N109 | N109-N127 VanDerWaalsContact CG-OD1 3.24Å; N109-N127 PolarHBondContact ND2-OD1 3.43Å; N109-N127 PolarHBondContact OD1-OD1 3.19Å |
| 128 | E | 89.5 | Confident | 83.2 | Confident | 45 Ų | 45 | 73 Ų | 73 | 21% | 0.21 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.8 | -172.6 | -64.2 | -75.4 | 180 | 0 | 0 | 109.4 | N109 V110 F130 K146 L148 I152 | N109-E128 WeakPolarHBondContact CA-O 3.49Å; N109-E128 PolarHBondContact OD1-O 3.49Å; V110-E128 PolarHBondContact N-O 2.75Å; V110-E128 PolarHBondContact O-N 2.96Å; E128-F130 HydrophobicContact CB-CE2 3.83Å; E128-F130 HydrophobicContact CB-CZ 4.28Å; E128-K146 IonicContact OE1-NZ 3.66Å; E128-K146 PolarHBondContact OE1-NZ 2.88Å; E128-K146 IonicContact OE2-NZ 3.27Å; E128-K146 PolarHBondContact OE2-NZ 3.26Å; E128-L148 HydrophobicContact CB-CD1 4.47Å; E128-L148 HydrophobicContact CG-CD1 3.99Å; E128-L148 HydrophobicContact CG-CD2 4.15Å; E128-L148 WeakPolarHBondContact OE1-CD2 3.42Å; E128-I152 HydrophobicContact CB-CG2 4.48Å; E128-I152 HydrophobicContact CG-CD1 4.39Å |
| 129 | M | 87.6 | Confident | 82.9 | Confident | 67 Ų | 67 | 71 Ų | 71 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 131.5 | -178.4 | -178.9 | 176.6 | 179.6 | 0 | 0 | 109.7 | I108 | I108-M129 WeakPolarHBondContact O-CA 3.42Å |
| 130 | F | 88.3 | Confident | 82.9 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.07 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.7 | 177.6 | -61.3 | -90.8 | 0 | 0 | 0 | 109.1 | G107 I108 E128 E139 A143 L148 I152 V156 | G107-F130 CarbonylContact C-O 3.56Å; G107-F130 WeakPolarHBondContact CA-O 3.41Å; I108-F130 HydrophobicContact CG1-CB 3.92Å; I108-F130 HydrophobicContact CG1-CD2 4.47Å; I108-F130 PolarHBondContact N-O 2.85Å; I108-F130 PolarHBondContact O-N 3.16Å; E128-F130 HydrophobicContact CB-CE2 3.83Å; E128-F130 HydrophobicContact CB-CZ 4.28Å; F130-E139 WeakPolarHBondContact CA-OE2 3.43Å; F130-E139 HydrophobicContact CD1-CB 4.34Å; F130-A143 HydrophobicContact CE1-CB 3.83Å; F130-A143 HydrophobicContact CZ-CB 4.11Å; F130-L148 HydrophobicContact CZ-CD1 4.02Å; F130-I152 HydrophobicContact CE2-CG2 4.19Å; F130-I152 HydrophobicContact CZ-CG2 4.4Å; F130-V156 HydrophobicContact CD1-CG1 3.93Å; F130-V156 HydrophobicContact CD1-CG2 4.36Å; F130-V156 HydrophobicContact CD2-CG1 4.46Å; F130-V156 HydrophobicContact CD2-CG2 3.55Å; F130-V156 HydrophobicContact CE1-CG1 3.97Å; F130-V156 HydrophobicContact CE1-CG2 4.12Å; F130-V156 HydrophobicContact CE2-CG2 3.27Å; F130-V156 HydrophobicContact CG-CG1 4.17Å; F130-V156 HydrophobicContact CG-CG2 4.1Å; F130-V156 HydrophobicContact CZ-CB 4.5Å; F130-V156 HydrophobicContact CZ-CG1 4.28Å; F130-V156 HydrophobicContact CZ-CG2 3.59Å |
| 131 | S | 87.6 | Confident | 83.1 | Confident | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 153.5 | -177.4 | -166.3 | 0 | 0 | 0 | 0 | 112.3 | Y106 H133 E139 | Y106-S131 WeakPolarHBondContact O-CA 3.41Å; Y106-S131 PolarHBondContact O-OG 3.42Å; S131-H133 PolarHBondContact OG-N 3.28Å; S131-E139 PolarHBondContact N-OE2 3.18Å |
| 132 | W | 82.9 | Confident | 83.1 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -79.3 | -18.1 | 167.8 | -50.1 | 137.5 | 0 | 0 | 0 | 113.7 | V103 G104 L105 Y106 I108 F159 I168 | V103-W132 HydrophobicContact CG1-CZ2 4.37Å; G104-W132 PolarHBondContact O-NE1 2.91Å; L105-W132 PolarHBondContact O-NE1 2.93Å; Y106-W132 PolarHBondContact O-N 2.8Å; I108-W132 HydrophobicContact CB-CH2 4.42Å; I108-W132 HydrophobicContact CG2-CH2 3.34Å; I108-W132 HydrophobicContact CG2-CZ2 3.58Å; I108-W132 HydrophobicContact CG2-CZ3 4.23Å; W132-F159 AromaticContact CH2-CD1 3.62Å; W132-F159 HydrophobicContact CH2-CD1 3.62Å; W132-F159 AromaticContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CG 4.31Å; W132-F159 HydrophobicContact CZ3-CB 4.26Å; W132-F159 AromaticContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CG 4.38Å; W132-I168 HydrophobicContact CD2-CD1 4.35Å; W132-I168 HydrophobicContact CE3-CD1 3.27Å; W132-I168 HydrophobicContact CH2-CD1 4.47Å; W132-I168 HydrophobicContact CZ3-CD1 3.35Å |
| 133 | H | 69.1 | Low | 83.3 | Confident | 114 Ų | 114 | 66.2 Ų | 66.2 | 53% | 0.528 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -79.6 | -37.7 | -173.2 | -85.6 | 69 | 0 | 0 | 0 | 112.5 | Y106 S131 | Y106-H133 AromaticContact CD1-CE1 3.73Å; S131-H133 PolarHBondContact OG-N 3.28Å |
| 134 | D | 61.9 | Low | 83.4 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 47% | 0.465 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -75.2 | 154.1 | 175 | -62.7 | -55.2 | 0 | 0 | 0 | 109.5 | A136 E139 | D134-A136 VanDerWaalsContact C-N 3.3Å; D134-A136 PolarHBondContact O-N 3.45Å; D134-E139 HydrophobicContact CB-CG 3.94Å |
| 135 | I | 62.2 | Low | 83.6 | Confident | 95 Ų | 95 | 71.8 Ų | 71.8 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -59.9 | 102.5 | 173.8 | -62.5 | 166.3 | 0 | 0 | 0 | 104.9 | E137 E138 E139 | I135-E137 HydrophobicContact CG2-CB 4.04Å; I135-E137 PolarHBondContact O-N 3.27Å; I135-E138 HydrophobicContact CB-CB 4.44Å; I135-E138 HydrophobicContact CB-CG 4.05Å; I135-E138 WeakPolarHBondContact CD1-OE1 3.35Å; I135-E138 HydrophobicContact CG2-CG 4.15Å; I135-E138 PolarHBondContact O-N 3.24Å; I135-E139 PolarHBondContact O-N 2.78Å | ||
| 136 | A | 68.5 | Low | 83.7 | Confident | 20 Ų | 20 | 73.6 Ų | 73.6 | 17% | 0.165 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -53.8 | -20.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D134 Y140 | D134-A136 VanDerWaalsContact C-N 3.3Å; D134-A136 PolarHBondContact O-N 3.45Å; A136-Y140 WeakPolarHBondContact O-CB 3.46Å; A136-Y140 PolarHBondContact O-N 3.34Å |
| 137 | E | 77.1 | Confident | 83.8 | Confident | 107 Ų | 107 | 73.4 Ų | 73.4 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -73.4 | -37.9 | 173.9 | -161.6 | 161.3 | -157.8 | 0 | 0 | 113.5 | I135 Y140 E141 | I135-E137 HydrophobicContact CG2-CB 4.04Å; I135-E137 PolarHBondContact O-N 3.27Å; E137-Y140 PolarHBondContact O-N 2.91Å; E137-E141 WeakPolarHBondContact O-CB 3.11Å; E137-E141 PolarHBondContact O-N 3.09Å |
| 138 | E | 84 | Confident | 83.9 | Confident | 107 Ų | 107 | 69.3 Ų | 69.3 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 176.8 | -68.1 | -177.2 | -176.8 | 0 | 0 | 111.7 | I135 Y140 E141 Q142 | I135-E138 HydrophobicContact CB-CB 4.44Å; I135-E138 HydrophobicContact CB-CG 4.05Å; I135-E138 WeakPolarHBondContact CD1-OE1 3.35Å; I135-E138 HydrophobicContact CG2-CG 4.15Å; I135-E138 PolarHBondContact O-N 3.24Å; E138-Y140 VanDerWaalsContact C-N 3.26Å; E138-Y140 PolarHBondContact O-N 3.33Å; E138-E141 PolarHBondContact O-N 2.95Å; E138-Q142 WeakPolarHBondContact O-CG 3.43Å; E138-Q142 PolarHBondContact O-N 3.19Å |
| 139 | E | 84.8 | Confident | 84.1 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 174.8 | -74.4 | -164.5 | 152 | 0 | 0 | 111.2 | F130 S131 D134 I135 Q142 A143 | F130-E139 WeakPolarHBondContact CA-OE2 3.43Å; F130-E139 HydrophobicContact CD1-CB 4.34Å; S131-E139 PolarHBondContact N-OE2 3.18Å; D134-E139 HydrophobicContact CB-CG 3.94Å; I135-E139 PolarHBondContact O-N 2.78Å; E139-Q142 PolarHBondContact O-N 2.89Å; E139-A143 WeakPolarHBondContact O-CB 3.43Å; E139-A143 PolarHBondContact O-N 3.48Å |
| 140 | Y | 87.9 | Confident | 84.3 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.133 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 175 | 178.7 | -116.3 | 0 | 0 | 0 | 112.2 | A136 E137 E138 Q142 A143 L144 L153 V156 E157 T160 | A136-Y140 WeakPolarHBondContact O-CB 3.46Å; A136-Y140 PolarHBondContact O-N 3.34Å; E137-Y140 PolarHBondContact O-N 2.91Å; E138-Y140 VanDerWaalsContact C-N 3.26Å; E138-Y140 PolarHBondContact O-N 3.33Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.44Å; Y140-A143 WeakPolarHBondContact O-CB 3.35Å; Y140-A143 PolarHBondContact O-N 3.02Å; Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 3.51Å; Y140-L144 HydrophobicContact CE1-CG 4.2Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.42Å; Y140-L144 HydrophobicContact CE2-CG 4.24Å; Y140-L144 WeakPolarHBondContact O-CG 3.39Å; Y140-L144 PolarHBondContact O-N 3.21Å; Y140-L153 HydrophobicContact CE2-CD2 4.16Å; Y140-V156 HydrophobicContact CD2-CB 4.16Å; Y140-V156 HydrophobicContact CD2-CG1 3.59Å; Y140-V156 HydrophobicContact CE2-CB 4.44Å; Y140-V156 HydrophobicContact CE2-CG1 4.33Å; Y140-V156 HydrophobicContact CG-CG1 4.37Å; Y140-E157 HydrophobicContact CE2-CB 4.22Å; Y140-T160 HydrophobicContact CD1-CG2 3.99Å; Y140-T160 HydrophobicContact CE1-CG2 4.4Å; Y140-T160 HydrophobicContact CG-CG2 4.07Å |
| 141 | E | 89.8 | Confident | 84.4 | Confident | 116 Ų | 116 | 66 Ų | 66 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.8 | -172.4 | -179.4 | -179.3 | 0 | 0 | 111.1 | E137 E138 A143 L144 I145 | E137-E141 WeakPolarHBondContact O-CB 3.11Å; E137-E141 PolarHBondContact O-N 3.09Å; E138-E141 PolarHBondContact O-N 2.95Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.44Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.25Å; E141-I145 HydrophobicContact CG-CD1 4.03Å; E141-I145 VanDerWaalsContact O-CG1 3.29Å; E141-I145 WeakPolarHBondContact O-CG1 3.36Å; E141-I145 PolarHBondContact O-N 3.16Å |
| 142 | Q | 90.4 | Very high | 84.6 | Confident | 131 Ų | 131 | 64.8 Ų | 64.8 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 174.6 | -71 | -179.7 | 10.2 | 0 | 0 | 112.2 | E138 E139 Y140 L144 I145 K146 | E138-Q142 WeakPolarHBondContact O-CG 3.43Å; E138-Q142 PolarHBondContact O-N 3.19Å; E139-Q142 PolarHBondContact O-N 2.89Å; Y140-Q142 VanDerWaalsContact C-N 3.34Å; Y140-Q142 PolarHBondContact O-N 3.44Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; Q142-I145 PolarHBondContact O-N 2.87Å; Q142-K146 VanDerWaalsContact O-CB 3.25Å; Q142-K146 WeakPolarHBondContact O-CB 3.45Å; Q142-K146 PolarHBondContact O-N 3.3Å |
| 143 | A | 89.9 | Confident | 85 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | F130 E139 Y140 E141 G147 L148 L153 | F130-A143 HydrophobicContact CE1-CB 3.83Å; F130-A143 HydrophobicContact CZ-CB 4.11Å; E139-A143 WeakPolarHBondContact O-CB 3.43Å; E139-A143 PolarHBondContact O-N 3.48Å; Y140-A143 WeakPolarHBondContact O-CB 3.35Å; Y140-A143 PolarHBondContact O-N 3.02Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.44Å; A143-G147 PolarHBondContact O-N 3.38Å; A143-L148 HydrophobicContact CB-CD1 3.65Å; A143-L148 HydrophobicContact CB-CG 4.3Å; A143-L148 PolarHBondContact O-N 3.49Å; A143-L153 HydrophobicContact CB-CD2 4.06Å |
| 144 | L | 91.8 | Very high | 86 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -46.7 | 172.9 | -73.1 | 170.6 | 0 | 0 | 0 | 111.3 | Y140 E141 Q142 K146 G147 L153 | Y140-L144 HydrophobicContact CD1-CD1 3.94Å; Y140-L144 HydrophobicContact CE1-CD1 3.51Å; Y140-L144 HydrophobicContact CE1-CG 4.2Å; Y140-L144 HydrophobicContact CE2-CD1 4.43Å; Y140-L144 HydrophobicContact CE2-CD2 4.42Å; Y140-L144 HydrophobicContact CE2-CG 4.24Å; Y140-L144 WeakPolarHBondContact O-CG 3.39Å; Y140-L144 PolarHBondContact O-N 3.21Å; E141-L144 WeakPolarHBondContact O-CB 3.15Å; E141-L144 PolarHBondContact O-N 3.25Å; Q142-L144 VanDerWaalsContact C-N 3.34Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.24Å; L144-G147 PolarHBondContact O-N 3.24Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L144-L153 HydrophobicContact CD2-CD2 3.91Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; L144-L153 HydrophobicContact CG-CD2 4.27Å |
| 145 | I | 93 | Very high | 87.4 | Confident | 134 Ų | 134 | 58.4 Ų | 58.4 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.5 | -39.5 | 177.5 | -66.8 | 165.6 | 0 | 0 | 0 | 111 | E141 Q142 G147 | E141-I145 HydrophobicContact CG-CD1 4.03Å; E141-I145 VanDerWaalsContact O-CG1 3.29Å; E141-I145 WeakPolarHBondContact O-CG1 3.36Å; E141-I145 PolarHBondContact O-N 3.16Å; Q142-I145 PolarHBondContact O-N 2.87Å; I145-G147 PolarHBondContact O-N 2.83Å |
| 146 | K | 91.4 | Very high | 88.7 | Confident | 133 Ų | 133 | 54.2 Ų | 54.2 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.6 | -20.6 | 175.3 | -171.1 | -177.8 | 177.8 | -165.8 | 0 | 112.4 | E128 Q142 L144 L148 | E128-K146 IonicContact OE1-NZ 3.66Å; E128-K146 PolarHBondContact OE1-NZ 2.88Å; E128-K146 IonicContact OE2-NZ 3.27Å; E128-K146 PolarHBondContact OE2-NZ 3.26Å; Q142-K146 VanDerWaalsContact O-CB 3.25Å; Q142-K146 WeakPolarHBondContact O-CB 3.45Å; Q142-K146 PolarHBondContact O-N 3.3Å; L144-K146 VanDerWaalsContact C-N 3.32Å; L144-K146 PolarHBondContact O-N 3.24Å; K146-L148 HydrophobicContact CD-CD2 3.95Å; K146-L148 HydrophobicContact CD-CG 4.37Å; K146-L148 HydrophobicContact CG-CD2 4.42Å |
| 147 | G | 92 | Very high | 89.7 | Confident | 57 Ų | 57 | 57.9 Ų | 57.9 | 59% | 0.588 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 44.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A143 L144 I145 | A143-G147 PolarHBondContact O-N 3.38Å; L144-G147 PolarHBondContact O-N 3.24Å; I145-G147 PolarHBondContact O-N 2.83Å |
| 148 | L | 92.7 | Very high | 90.1 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -59.7 | 155.2 | 175.3 | -69 | -175.7 | 0 | 0 | 0 | 112 | E128 F130 A143 K146 I152 L153 | E128-L148 HydrophobicContact CB-CD1 4.47Å; E128-L148 HydrophobicContact CG-CD1 3.99Å; E128-L148 HydrophobicContact CG-CD2 4.15Å; E128-L148 WeakPolarHBondContact OE1-CD2 3.42Å; F130-L148 HydrophobicContact CZ-CD1 4.02Å; A143-L148 HydrophobicContact CB-CD1 3.65Å; A143-L148 HydrophobicContact CB-CG 4.3Å; A143-L148 PolarHBondContact O-N 3.49Å; K146-L148 HydrophobicContact CD-CD2 3.95Å; K146-L148 HydrophobicContact CD-CG 4.37Å; K146-L148 HydrophobicContact CG-CD2 4.42Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; L148-L153 HydrophobicContact CB-CD2 4.07Å; L148-L153 HydrophobicContact CB-CG 4.12Å; L148-L153 WeakPolarHBondContact O-CD1 3.27Å | ||
| 149 | P | 92.6 | Very high | 90.2 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | trans | -54.4 | 143.8 | 176.6 | -27 | 34 | 0 | 0 | 0 | 113.4 | Y87 L112 Y126 P151 I152 L153 | Y87-P149 HydrophobicContact CD2-CB 4.02Å; Y87-P149 HydrophobicContact CD2-CG 4.25Å; Y87-P149 HydrophobicContact CE2-CB 4.05Å; Y87-P149 HydrophobicContact CE2-CG 3.75Å; Y87-P149 WeakPolarHBondContact O-CA 3.32Å; L112-P149 HydrophobicContact CD2-CB 3.59Å; L112-P149 HydrophobicContact CD2-CG 3.89Å; Y126-P149 HydrophobicContact CD1-CG 4.31Å; Y126-P149 HydrophobicContact CD2-CG 3.99Å; Y126-P149 HydrophobicContact CE1-CG 4.06Å; Y126-P149 HydrophobicContact CE2-CG 3.72Å; Y126-P149 HydrophobicContact CG-CG 4.28Å; P149-P151 VanDerWaalsContact C-N 3.34Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 PolarHBondContact O-N 2.81Å; P149-L153 PolarHBondContact O-N 2.99Å | ||
| 150 | N | 91.9 | Very high | 90.3 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.5 | -40.6 | -177 | -63.1 | -10.9 | 0 | 0 | 0 | 114.2 | Y87 I152 L153 Y154 | Y87-N150 PolarHBondContact O-N 2.89Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.38Å; N150-L153 PolarHBondContact O-N 3.34Å; N150-Y154 WeakPolarHBondContact O-CB 3.25Å; N150-Y154 PolarHBondContact O-N 3.43Å |
| 151 | P | 91.4 | Very high | 90 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -33.1 | -179 | -21.5 | 34.4 | 0 | 0 | 0 | 112.9 | V85 T86 V99 L112 P149 I155 | V85-P151 HydrophobicContact CB-CG 3.8Å; V85-P151 HydrophobicContact CG1-CG 4.49Å; V85-P151 HydrophobicContact CG2-CG 3.56Å; T86-P151 WeakPolarHBondContact O-CD 3.43Å; V99-P151 HydrophobicContact CG2-CB 4.41Å; L112-P151 HydrophobicContact CD1-CB 4.33Å; L112-P151 HydrophobicContact CD1-CG 4.34Å; P149-P151 VanDerWaalsContact C-N 3.34Å; P151-I155 WeakPolarHBondContact O-CG1 3.24Å; P151-I155 PolarHBondContact O-N 3.31Å |
| 152 | I | 91.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70 | -50.4 | 177.6 | -61.8 | -179.2 | 0 | 0 | 0 | 109 | V110 L112 Y126 E128 F130 L148 P149 N150 Y154 I155 V156 | V110-I152 HydrophobicContact CB-CG2 4.26Å; V110-I152 HydrophobicContact CG1-CB 4.39Å; V110-I152 HydrophobicContact CG1-CG1 4.11Å; V110-I152 HydrophobicContact CG1-CG2 4.23Å; L112-I152 HydrophobicContact CB-CD1 4Å; L112-I152 HydrophobicContact CB-CG1 4.12Å; L112-I152 HydrophobicContact CD2-CD1 4.45Å; L112-I152 HydrophobicContact CD2-CG1 4.46Å; Y126-I152 HydrophobicContact CG-CD1 4.1Å; E128-I152 HydrophobicContact CB-CG2 4.48Å; E128-I152 HydrophobicContact CG-CD1 4.39Å; F130-I152 HydrophobicContact CE2-CG2 4.19Å; F130-I152 HydrophobicContact CZ-CG2 4.4Å; L148-I152 HydrophobicContact CD1-CG2 4.14Å; P149-I152 HydrophobicContact CG-CD1 4.32Å; P149-I152 PolarHBondContact O-N 2.81Å; N150-I152 VanDerWaalsContact C-N 3.29Å; N150-I152 PolarHBondContact O-N 3.38Å; I152-Y154 VanDerWaalsContact C-N 3.3Å; I152-Y154 PolarHBondContact O-N 3.4Å; I152-I155 PolarHBondContact O-N 2.82Å; I152-V156 HydrophobicContact CG2-CG2 4.3Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.5Å; I152-V156 PolarHBondContact O-N 3.46Å |
| 153 | L | 91.8 | Very high | 89 | Confident | 21 Ų | 21 | 43.1 Ų | 43.1 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 178.6 | -66.4 | 173.9 | 0 | 0 | 0 | 111.7 | Y140 A143 L144 L148 P149 N150 I155 V156 E157 | Y140-L153 HydrophobicContact CE2-CD2 4.16Å; A143-L153 HydrophobicContact CB-CD2 4.06Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L144-L153 HydrophobicContact CD2-CD2 3.91Å; L144-L153 HydrophobicContact CD2-CG 4.39Å; L144-L153 HydrophobicContact CG-CD2 4.27Å; L148-L153 HydrophobicContact CB-CD2 4.07Å; L148-L153 HydrophobicContact CB-CG 4.12Å; L148-L153 WeakPolarHBondContact O-CD1 3.27Å; P149-L153 PolarHBondContact O-N 2.99Å; N150-L153 PolarHBondContact O-N 3.34Å; L153-I155 PolarHBondContact O-N 3.32Å; L153-V156 PolarHBondContact O-N 2.01Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.27Å |
| 154 | Y | 90.2 | Very high | 88.5 | Confident | 70 Ų | 70 | 49.8 Ų | 49.8 | 28% | 0.275 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 177.1 | 174.4 | -100.9 | 0 | 0 | 0 | 113 | N150 I152 K158 S234 I235 | N150-Y154 WeakPolarHBondContact O-CB 3.25Å; N150-Y154 PolarHBondContact O-N 3.43Å; I152-Y154 VanDerWaalsContact C-N 3.3Å; I152-Y154 PolarHBondContact O-N 3.4Å; Y154-K158 WeakPolarHBondContact O-CG 3.11Å; Y154-K158 WeakPolarHBondContact OH-CE 3.27Å; Y154-K158 PolarHBondContact OH-NZ 3.31Å; Y154-S234 WeakPolarHBondContact CE1-O 3.44Å; Y154-S234 PolarHBondContact OH-O 3.16Å; Y154-S234 VanDerWaalsContact OH-O 3.08Å; Y154-I235 HydrophobicContact CD1-CD1 4.16Å; Y154-I235 HydrophobicContact CD1-CG1 3.91Å; Y154-I235 HydrophobicContact CE1-CD1 4.48Å; Y154-I235 HydrophobicContact CE1-CG1 3.84Å |
| 155 | I | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.3 | -47 | 179 | -70.6 | 169.8 | 0 | 0 | 0 | 110 | V99 L101 V110 P151 I152 L153 E157 K158 F159 F233 I235 F240 | V99-I155 HydrophobicContact CG1-CD1 3.43Å; V99-I155 VanDerWaalsContact CG1-CD1 3.43Å; L101-I155 HydrophobicContact CD1-CG2 3.93Å; L101-I155 HydrophobicContact CD2-CG2 4.41Å; V110-I155 HydrophobicContact CG1-CB 4.44Å; V110-I155 HydrophobicContact CG1-CD1 3.85Å; V110-I155 HydrophobicContact CG1-CG2 4.45Å; V110-I155 HydrophobicContact CG2-CB 4.45Å; V110-I155 HydrophobicContact CG2-CG2 3.83Å; P151-I155 WeakPolarHBondContact O-CG1 3.24Å; P151-I155 PolarHBondContact O-N 3.31Å; I152-I155 PolarHBondContact O-N 2.82Å; L153-I155 PolarHBondContact O-N 3.32Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.38Å; I155-K158 WeakPolarHBondContact O-CB 3.49Å; I155-K158 PolarHBondContact O-N 2.83Å; I155-K158 VanDerWaalsContact O-N 3.14Å; I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 HydrophobicContact CG2-CE2 4.22Å; I155-F159 VanDerWaalsContact O-CD2 3.31Å; I155-F159 WeakPolarHBondContact O-CD2 3.36Å; I155-F233 HydrophobicContact CG2-CE1 4.44Å; I155-I235 HydrophobicContact CD1-CD1 4.11Å; I155-I235 HydrophobicContact CG1-CD1 4.23Å; I155-F240 HydrophobicContact CD1-CZ 3.95Å; I155-F240 HydrophobicContact CG1-CZ 4.35Å |
| 156 | V | 89.8 | Confident | 87 | Confident | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -39.1 | -178.1 | 178.4 | 0 | 0 | 0 | 0 | 111 | V110 F130 Y140 I152 L153 K158 F159 T160 | V110-V156 HydrophobicContact CG2-CG2 4.25Å; F130-V156 HydrophobicContact CD1-CG1 3.93Å; F130-V156 HydrophobicContact CD1-CG2 4.36Å; F130-V156 HydrophobicContact CD2-CG1 4.46Å; F130-V156 HydrophobicContact CD2-CG2 3.55Å; F130-V156 HydrophobicContact CE1-CG1 3.97Å; F130-V156 HydrophobicContact CE1-CG2 4.12Å; F130-V156 HydrophobicContact CE2-CG2 3.27Å; F130-V156 HydrophobicContact CG-CG1 4.17Å; F130-V156 HydrophobicContact CG-CG2 4.1Å; F130-V156 HydrophobicContact CZ-CB 4.5Å; F130-V156 HydrophobicContact CZ-CG1 4.28Å; F130-V156 HydrophobicContact CZ-CG2 3.59Å; Y140-V156 HydrophobicContact CD2-CB 4.16Å; Y140-V156 HydrophobicContact CD2-CG1 3.59Å; Y140-V156 HydrophobicContact CE2-CB 4.44Å; Y140-V156 HydrophobicContact CE2-CG1 4.33Å; Y140-V156 HydrophobicContact CG-CG1 4.37Å; I152-V156 HydrophobicContact CG2-CG2 4.3Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.5Å; I152-V156 PolarHBondContact O-N 3.46Å; L153-V156 PolarHBondContact O-N 2.01Å; V156-K158 PolarHBondContact O-N 2.88Å; V156-F159 CarbonylContact O-C 3.57Å; V156-F159 WeakPolarHBondContact O-CA 3.31Å; V156-F159 PolarHBondContact O-N 3.33Å; V156-T160 PolarHBondContact O-N 3.46Å |
| 157 | E | 88.7 | Confident | 86.4 | Confident | 97 Ų | 97 | 36.5 Ų | 36.5 | 45% | 0.453 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -55.5 | -34.5 | 175.4 | -171.6 | -179.2 | -174.9 | 0 | 0 | 111.9 | Y140 L153 I155 F159 T160 S163 | Y140-E157 HydrophobicContact CE2-CB 4.22Å; L153-E157 VanDerWaalsContact O-CB 3.31Å; L153-E157 WeakPolarHBondContact O-CB 3.28Å; L153-E157 PolarHBondContact O-N 3.27Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.38Å; E157-F159 PolarHBondContact O-N 3.24Å; E157-T160 PolarHBondContact O-N 3.44Å; E157-T160 PolarHBondContact O-OG1 3.21Å; E157-S163 WeakPolarHBondContact O-CB 2.97Å |
| 158 | K | 87.1 | Confident | 86 | Confident | 32 Ų | 32 | 34.4 Ų | 34.4 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -15.6 | 176.6 | -58.4 | -155.8 | -170.6 | -137.5 | 0 | 114.3 | Y154 I155 V156 S163 M167 V232 F233 | Y154-K158 WeakPolarHBondContact O-CG 3.11Å; Y154-K158 WeakPolarHBondContact OH-CE 3.27Å; Y154-K158 PolarHBondContact OH-NZ 3.31Å; I155-K158 WeakPolarHBondContact O-CB 3.49Å; I155-K158 PolarHBondContact O-N 2.83Å; I155-K158 VanDerWaalsContact O-N 3.14Å; V156-K158 PolarHBondContact O-N 2.88Å; K158-S163 PolarHBondContact O-OG 2.8Å; K158-M167 HydrophobicContact CB-CE 3.49Å; K158-M167 VanDerWaalsContact CB-CE 3.49Å; K158-M167 HydrophobicContact CD-CE 4.12Å; K158-M167 HydrophobicContact CG-CE 4.46Å; K158-M167 WeakPolarHBondContact O-CE 3.42Å; K158-V232 PolarHBondContact NZ-O 3.28Å; K158-F233 HydrophobicContact CB-CE1 4.1Å; K158-F233 HydrophobicContact CD-CD1 3.59Å; K158-F233 HydrophobicContact CD-CE1 3.63Å; K158-F233 HydrophobicContact CD-CG 4.47Å; K158-F233 HydrophobicContact CG-CD1 4.47Å; K158-F233 HydrophobicContact CG-CE1 4.26Å |
| 159 | F | 86.1 | Confident | 85.6 | Confident | 5 Ų | 5 | 38.7 Ų | 38.7 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 11.7 | 175.7 | -68.5 | -83.6 | 0 | 0 | 0 | 112.4 | L101 I108 W132 I155 V156 E157 M167 I168 Y171 F233 | L101-F159 HydrophobicContact CD1-CE2 4.2Å; L101-F159 HydrophobicContact CD2-CE2 4.02Å; L101-F159 HydrophobicContact CD2-CZ 4.08Å; I108-F159 HydrophobicContact CD1-CB 4.11Å; I108-F159 HydrophobicContact CD1-CD2 3.5Å; I108-F159 VanDerWaalsContact CD1-CD2 3.5Å; I108-F159 HydrophobicContact CD1-CE2 4.02Å; I108-F159 HydrophobicContact CD1-CG 3.85Å; I108-F159 HydrophobicContact CG2-CE1 4.35Å; I108-F159 HydrophobicContact CG2-CE2 4.48Å; I108-F159 HydrophobicContact CG2-CZ 4.29Å; W132-F159 AromaticContact CH2-CD1 3.62Å; W132-F159 HydrophobicContact CH2-CD1 3.62Å; W132-F159 AromaticContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CE1 3.99Å; W132-F159 HydrophobicContact CH2-CG 4.31Å; W132-F159 HydrophobicContact CZ3-CB 4.26Å; W132-F159 AromaticContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CD1 3.97Å; W132-F159 HydrophobicContact CZ3-CG 4.38Å; I155-F159 HydrophobicContact CG2-CD2 4.5Å; I155-F159 HydrophobicContact CG2-CE2 4.22Å; I155-F159 VanDerWaalsContact O-CD2 3.31Å; I155-F159 WeakPolarHBondContact O-CD2 3.36Å; V156-F159 CarbonylContact O-C 3.57Å; V156-F159 WeakPolarHBondContact O-CA 3.31Å; V156-F159 PolarHBondContact O-N 3.33Å; E157-F159 PolarHBondContact O-N 3.24Å; F159-M167 HydrophobicContact CD1-CB 4.19Å; F159-M167 HydrophobicContact CE1-CB 4.22Å; F159-I168 VanDerWaalsContact O-CB 3.27Å; F159-I168 WeakPolarHBondContact O-CB 3.34Å; F159-I168 WeakPolarHBondContact O-CD1 3.46Å; F159-I168 WeakPolarHBondContact O-CG1 2.79Å; F159-Y171 AromaticContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CE2 4Å; F159-Y171 HydrophobicContact CE1-CG 4.12Å; F159-F233 HydrophobicContact CE2-CE1 4.01Å; F159-F233 AromaticContact CE2-CZ 3.9Å; F159-F233 HydrophobicContact CE2-CZ 3.9Å; F159-F233 AromaticContact CZ-CZ 3.99Å; F159-F233 HydrophobicContact CZ-CZ 3.99Å |
| 160 | T | 86 | Confident | 85.3 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.6 | 160.4 | 171.5 | 66.3 | 0 | 0 | 0 | 0 | 111.4 | Y140 V156 E157 S162 S163 | Y140-T160 HydrophobicContact CD1-CG2 3.99Å; Y140-T160 HydrophobicContact CE1-CG2 4.4Å; Y140-T160 HydrophobicContact CG-CG2 4.07Å; V156-T160 PolarHBondContact O-N 3.46Å; E157-T160 PolarHBondContact O-N 3.44Å; E157-T160 PolarHBondContact O-OG1 3.21Å; T160-S162 VanDerWaalsContact C-N 3.28Å; T160-S162 PolarHBondContact O-N 3.26Å; T160-S162 PolarHBondContact OG1-OG 3.15Å; T160-S163 WeakPolarHBondContact O-CB 3.04Å; T160-S163 PolarHBondContact O-N 3.19Å; T160-S163 PolarHBondContact O-OG 2.97Å; T160-S163 PolarHBondContact OG1-N 2.99Å |
| 161 | L | 82.8 | Confident | 85.1 | Confident | 86 Ų | 86 | 41 Ų | 41 | 45% | 0.45 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -31.1 | 176.4 | -71.5 | 164.7 | 0 | 0 | 0 | 112.9 | S163 I168 F169 | L161-S163 VanDerWaalsContact C-N 3.27Å; L161-I168 HydrophobicContact CD2-CG2 3.96Å; L161-F169 HydrophobicContact CD2-CE1 3.89Å; L161-F169 HydrophobicContact CD2-CE2 3.96Å; L161-F169 HydrophobicContact CD2-CZ 3.43Å; L161-F169 VanDerWaalsContact CD2-CZ 3.43Å |
| 162 | S | 78.6 | Confident | 84.9 | Confident | 90 Ų | 90 | 41.6 Ų | 41.6 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -9.1 | 179 | 54 | 0 | 0 | 0 | 0 | 113.3 | T160 | T160-S162 VanDerWaalsContact C-N 3.28Å; T160-S162 PolarHBondContact O-N 3.26Å; T160-S162 PolarHBondContact OG1-OG 3.15Å |
| 163 | S | 80.6 | Confident | 84.7 | Confident | 15 Ų | 15 | 48 Ų | 48 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -64.9 | 136 | -179.8 | 72 | 0 | 0 | 0 | 0 | 111.6 | E157 K158 T160 L161 C165 G166 | E157-S163 WeakPolarHBondContact O-CB 2.97Å; K158-S163 PolarHBondContact O-OG 2.8Å; T160-S163 WeakPolarHBondContact O-CB 3.04Å; T160-S163 PolarHBondContact O-N 3.19Å; T160-S163 PolarHBondContact O-OG 2.97Å; T160-S163 PolarHBondContact OG1-N 2.99Å; L161-S163 VanDerWaalsContact C-N 3.27Å; S163-C165 PolarHBondContact O-N 3.2Å; S163-G166 PolarHBondContact O-N 3.46Å |
| 164 | P | 78.7 | Confident | 84.7 | Confident | 145 Ų | 145 | 47.2 Ų | 47.2 | 94% | 0.942 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.3 | 177 | -24.9 | 33.7 | 0 | 0 | 0 | 114.1 | ||
| 165 | C | 77.5 | Confident | 84.7 | Confident | 36 Ų | 36 | 43.9 Ų | 43.9 | 24% | 0.243 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -19.5 | -173.3 | -134.1 | 0 | 0 | 0 | 0 | 113.9 | S163 M167 C231 | S163-C165 PolarHBondContact O-N 3.2Å; C165-M167 HydrophobicContact CB-CE 4.31Å; C165-M167 HydrophobicContact CB-CG 4.17Å; C165-M167 PolarHBondContact O-N 3.5Å; C165-C231 HydrophobicContact CB-CB 4.14Å; C165-C231 WeakPolarHBondContact CB-SG 3.42Å; C165-C231 VanDerWaalsContact SG-CA 3.51Å; C165-C231 WeakPolarHBondContact SG-CB 3.43Å; C165-C231 CovalentContact SG-SG 2.01Å; C165-C231 PolarHBondContact SG-SG 3.27Å |
| 166 | G | 74.9 | Confident | 84.8 | Confident | 24 Ų | 24 | 50.8 Ų | 50.8 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | trans | 56.9 | 22.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S163 I168 F169 | S163-G166 PolarHBondContact O-N 3.46Å; G166-I168 PolarHBondContact O-N 3.12Å; G166-F169 PolarHBondContact O-N 3.17Å | ||
| 167 | M | 80 | Confident | 84.9 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -34.5 | -174.9 | -75.2 | -168 | -73.3 | 0 | 0 | 112 | K158 F159 C165 F169 Q170 Y171 C231 F233 | K158-M167 HydrophobicContact CB-CE 3.49Å; K158-M167 VanDerWaalsContact CB-CE 3.49Å; K158-M167 HydrophobicContact CD-CE 4.12Å; K158-M167 HydrophobicContact CG-CE 4.46Å; K158-M167 WeakPolarHBondContact O-CE 3.42Å; F159-M167 HydrophobicContact CD1-CB 4.19Å; F159-M167 HydrophobicContact CE1-CB 4.22Å; C165-M167 HydrophobicContact CB-CE 4.31Å; C165-M167 HydrophobicContact CB-CG 4.17Å; C165-M167 PolarHBondContact O-N 3.5Å; M167-F169 VanDerWaalsContact C-N 3.25Å; M167-F169 PolarHBondContact O-N 3.48Å; M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; M167-Y171 HydrophobicContact CB-CD2 4.02Å; M167-Y171 HydrophobicContact CB-CE2 4.19Å; M167-Y171 HydrophobicContact CG-CE2 4.41Å; M167-Y171 VanDerWaalsContact O-CD2 3.31Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 3.03Å; M167-Y171 HydrophobicContact SD-CE2 4.27Å; M167-C231 HydrophobicContact CE-CB 3.53Å; M167-C231 VanDerWaalsContact CE-SG 3.52Å; M167-C231 HydrophobicContact CG-CB 4.15Å; M167-C231 HydrophobicContact SD-CB 3.34Å; M167-C231 WeakPolarHBondContact SD-CB 3.45Å; M167-F233 HydrophobicContact CE-CE1 3.99Å; M167-F233 HydrophobicContact CE-CE2 4.44Å; M167-F233 HydrophobicContact CE-CZ 3.61Å; M167-F233 HydrophobicContact SD-CE2 4.46Å; M167-F233 HydrophobicContact SD-CZ 4.03Å |
| 168 | I | 83.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -50.1 | -43.2 | -179.2 | -173.9 | 55.3 | 0 | 0 | 0 | 113.3 | W132 F159 L161 G166 S172 | W132-I168 HydrophobicContact CD2-CD1 4.35Å; W132-I168 HydrophobicContact CE3-CD1 3.27Å; W132-I168 HydrophobicContact CH2-CD1 4.47Å; W132-I168 HydrophobicContact CZ3-CD1 3.35Å; F159-I168 VanDerWaalsContact O-CB 3.27Å; F159-I168 WeakPolarHBondContact O-CB 3.34Å; F159-I168 WeakPolarHBondContact O-CD1 3.46Å; F159-I168 WeakPolarHBondContact O-CG1 2.79Å; L161-I168 HydrophobicContact CD2-CG2 3.96Å; G166-I168 PolarHBondContact O-N 3.12Å; I168-S172 WeakPolarHBondContact O-CB 3.17Å; I168-S172 PolarHBondContact O-N 2.99Å |
| 169 | F | 83.2 | Confident | 85.5 | Confident | 101 Ų | 101 | 51 Ų | 51 | 44% | 0.443 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -49 | -178.6 | -69.8 | -69.2 | 0 | 0 | 0 | 111 | L161 G166 M167 S172 Y173 | L161-F169 HydrophobicContact CD2-CE1 3.89Å; L161-F169 HydrophobicContact CD2-CE2 3.96Å; L161-F169 HydrophobicContact CD2-CZ 3.43Å; L161-F169 VanDerWaalsContact CD2-CZ 3.43Å; G166-F169 PolarHBondContact O-N 3.17Å; M167-F169 VanDerWaalsContact C-N 3.25Å; M167-F169 PolarHBondContact O-N 3.48Å; F169-S172 PolarHBondContact O-N 2.74Å; F169-Y173 HydrophobicContact CB-CD2 4.3Å; F169-Y173 HydrophobicContact CB-CE2 4.44Å; F169-Y173 HydrophobicContact CD1-CE2 4.01Å; F169-Y173 WeakPolarHBondContact O-CB 3.45Å; F169-Y173 WeakPolarHBondContact O-CD2 3.37Å; F169-Y173 PolarHBondContact O-N 3.37Å |
| 170 | Q | 85.7 | Confident | 85.9 | Confident | 87 Ų | 87 | 53.3 Ų | 53.3 | 41% | 0.407 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | -174.6 | -65.8 | -73.2 | -14.8 | 0 | 0 | 111.3 | M167 S174 V228 | M167-Q170 PolarHBondContact O-N 2.87Å; M167-Q170 VanDerWaalsContact O-N 3.12Å; Q170-S174 WeakPolarHBondContact O-CB 3.01Å; Q170-S174 PolarHBondContact O-N 3.18Å; Q170-S174 PolarHBondContact O-OG 2.72Å; Q170-V228 HydrophobicContact CB-CG2 3.58Å; Q170-V228 HydrophobicContact CG-CB 4.5Å; Q170-V228 HydrophobicContact CG-CG1 4.23Å; Q170-V228 HydrophobicContact CG-CG2 3.4Å |
| 171 | Y | 87.5 | Confident | 86.4 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68 | -41.7 | 176.6 | -80.5 | -89 | 0 | 0 | 0 | 112.6 | V103 F159 M167 S174 G175 I225 T242 | V103-Y171 HydrophobicContact CB-CE1 4.33Å; V103-Y171 HydrophobicContact CG1-CD1 3.44Å; V103-Y171 VanDerWaalsContact CG1-CD1 3.44Å; V103-Y171 HydrophobicContact CG1-CE1 3.61Å; V103-Y171 HydrophobicContact CG2-CE1 4.04Å; F159-Y171 AromaticContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CD2 3.84Å; F159-Y171 HydrophobicContact CE1-CE2 4Å; F159-Y171 HydrophobicContact CE1-CG 4.12Å; M167-Y171 HydrophobicContact CB-CD2 4.02Å; M167-Y171 HydrophobicContact CB-CE2 4.19Å; M167-Y171 HydrophobicContact CG-CE2 4.41Å; M167-Y171 VanDerWaalsContact O-CD2 3.31Å; M167-Y171 WeakPolarHBondContact O-CD2 3.32Å; M167-Y171 PolarHBondContact O-N 3.03Å; M167-Y171 HydrophobicContact SD-CE2 4.27Å; Y171-S174 PolarHBondContact O-OG 3.29Å; Y171-G175 PolarHBondContact O-N 3.28Å; Y171-I225 HydrophobicContact CD1-CD1 3.72Å; Y171-I225 HydrophobicContact CD1-CG1 4.23Å; Y171-I225 HydrophobicContact CD1-CG2 3.89Å; Y171-I225 HydrophobicContact CD2-CG2 4.17Å; Y171-I225 HydrophobicContact CE1-CB 4.46Å; Y171-I225 HydrophobicContact CE1-CD1 3.94Å; Y171-I225 HydrophobicContact CE1-CG1 4.41Å; Y171-I225 HydrophobicContact CE1-CG2 3.3Å; Y171-I225 HydrophobicContact CE2-CG2 3.62Å; Y171-I225 HydrophobicContact CG-CD1 4.45Å; Y171-I225 HydrophobicContact CG-CG2 4.32Å; Y171-I225 WeakPolarHBondContact OH-CG2 3.48Å; Y171-T242 PolarHBondContact OH-OG1 3.32Å |
| 172 | S | 87.5 | Confident | 87 | Confident | 18 Ų | 18 | 50.4 Ų | 50.4 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.2 | -48.1 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | I168 F169 G175 R176 | I168-S172 WeakPolarHBondContact O-CB 3.17Å; I168-S172 PolarHBondContact O-N 2.99Å; F169-S172 PolarHBondContact O-N 2.74Å; S172-G175 PolarHBondContact O-N 3.42Å; S172-R176 WeakPolarHBondContact O-CB 3.34Å; S172-R176 WeakPolarHBondContact O-CG 3.44Å; S172-R176 PolarHBondContact O-N 3.36Å |
| 173 | Y | 89 | Confident | 87.8 | Confident | 135 Ų | 135 | 51 Ų | 51 | 53% | 0.529 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.6 | -50 | 178.9 | -79.7 | -65.3 | 0 | 0 | 0 | 111.9 | F169 G175 R176 F177 | F169-Y173 HydrophobicContact CB-CD2 4.3Å; F169-Y173 HydrophobicContact CB-CE2 4.44Å; F169-Y173 HydrophobicContact CD1-CE2 4.01Å; F169-Y173 WeakPolarHBondContact O-CB 3.45Å; F169-Y173 WeakPolarHBondContact O-CD2 3.37Å; F169-Y173 PolarHBondContact O-N 3.37Å; Y173-G175 VanDerWaalsContact C-N 3.29Å; Y173-G175 PolarHBondContact O-N 2.98Å; Y173-R176 PolarHBondContact O-N 3.27Å; Y173-F177 VanDerWaalsContact O-CD2 3.25Å; Y173-F177 WeakPolarHBondContact O-CD2 3.44Å; Y173-F177 PolarHBondContact O-N 3.44Å |
| 174 | S | 90.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 178.7 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | Q170 Y171 A178 S221 I225 | Q170-S174 WeakPolarHBondContact O-CB 3.01Å; Q170-S174 PolarHBondContact O-N 3.18Å; Q170-S174 PolarHBondContact O-OG 2.72Å; Y171-S174 PolarHBondContact O-OG 3.29Å; S174-A178 WeakPolarHBondContact O-CB 3.31Å; S174-A178 PolarHBondContact O-N 3.28Å; S174-S221 WeakPolarHBondContact CB-O 3.4Å; S174-S221 PolarHBondContact O-OG 2.78Å; S174-I225 WeakPolarHBondContact OG-CD1 3.3Å; S174-I225 WeakPolarHBondContact OG-CG1 3.18Å |
| 175 | G | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y171 S172 Y173 A178 S179 | Y171-G175 PolarHBondContact O-N 3.28Å; S172-G175 PolarHBondContact O-N 3.42Å; Y173-G175 VanDerWaalsContact C-N 3.29Å; Y173-G175 PolarHBondContact O-N 2.98Å; G175-A178 PolarHBondContact O-N 3.34Å; G175-S179 WeakPolarHBondContact O-CB 3.38Å; G175-S179 PolarHBondContact O-N 2.75Å |
| 176 | R | 91.2 | Very high | 90.3 | Very high | 144 Ų | 144 | 46.2 Ų | 46.2 | 54% | 0.543 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.1 | -43.6 | 177.1 | -71.2 | 174.7 | 97 | 173.6 | 9.1 | 112.2 | S172 Y173 S179 A180 | S172-R176 WeakPolarHBondContact O-CB 3.34Å; S172-R176 WeakPolarHBondContact O-CG 3.44Å; S172-R176 PolarHBondContact O-N 3.36Å; Y173-R176 PolarHBondContact O-N 3.27Å; R176-S179 PolarHBondContact O-N 2.96Å; R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 3.46Å |
| 177 | F | 92.5 | Very high | 91.3 | Very high | 134 Ų | 134 | 48.4 Ų | 48.4 | 59% | 0.588 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.4 | -40.8 | 175.3 | -82.7 | -68.3 | 0 | 0 | 0 | 112.3 | Y173 A180 T181 S221 | Y173-F177 VanDerWaalsContact O-CD2 3.25Å; Y173-F177 WeakPolarHBondContact O-CD2 3.44Å; Y173-F177 PolarHBondContact O-N 3.44Å; F177-A180 PolarHBondContact O-N 2.93Å; F177-T181 WeakPolarHBondContact O-CB 3.5Å; F177-T181 WeakPolarHBondContact O-CG2 3.5Å; F177-T181 PolarHBondContact O-N 3.31Å; F177-T181 PolarHBondContact O-OG1 3.35Å; F177-S221 VanDerWaalsContact CB-OG 3.28Å; F177-S221 WeakPolarHBondContact CB-OG 3.43Å |
| 178 | A | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L105 S174 G175 T181 L182 | L105-A178 HydrophobicContact CD2-CB 3.77Å; S174-A178 WeakPolarHBondContact O-CB 3.31Å; S174-A178 PolarHBondContact O-N 3.28Å; G175-A178 PolarHBondContact O-N 3.34Å; A178-T181 WeakPolarHBondContact CA-OG1 3.16Å; A178-T181 PolarHBondContact O-N 2.9Å; A178-T181 PolarHBondContact O-OG1 3.36Å; A178-L182 WeakPolarHBondContact O-CB 3.44Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.07Å |
| 179 | S | 94 | Very high | 92.6 | Very high | 8 Ų | 8 | 49.7 Ų | 49.7 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 174.9 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | N71 Y106 G175 R176 T181 L182 W183 | N71-S179 WeakPolarHBondContact OD1-CA 3.3Å; N71-S179 WeakPolarHBondContact OD1-CB 3.19Å; N71-S179 PolarHBondContact OD1-OG 3Å; Y106-S179 VanDerWaalsContact CZ-OG 3.31Å; Y106-S179 PolarHBondContact OH-OG 3.37Å; G175-S179 WeakPolarHBondContact O-CB 3.38Å; G175-S179 PolarHBondContact O-N 2.75Å; R176-S179 PolarHBondContact O-N 2.96Å; S179-T181 VanDerWaalsContact C-N 3.33Å; S179-T181 PolarHBondContact O-N 3.34Å; S179-L182 PolarHBondContact O-N 2.87Å; S179-W183 VanDerWaalsContact O-CD1 3.24Å; S179-W183 PolarHBondContact O-N 3.06Å |
| 180 | A | 95.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.7 | -40.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R176 F177 W183 T184 | R176-A180 WeakPolarHBondContact O-CB 3.38Å; R176-A180 PolarHBondContact O-N 3.46Å; F177-A180 PolarHBondContact O-N 2.93Å; A180-W183 PolarHBondContact O-N 3.15Å; A180-T184 PolarHBondContact O-N 2.96Å; A180-T184 PolarHBondContact O-OG1 3.04Å |
| 181 | T | 95.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 17% | 0.166 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -35.7 | 176.4 | 48 | 0 | 0 | 0 | 0 | 112.1 | F177 A178 S179 T184 A185 F217 S218 | F177-T181 WeakPolarHBondContact O-CB 3.5Å; F177-T181 WeakPolarHBondContact O-CG2 3.5Å; F177-T181 PolarHBondContact O-N 3.31Å; F177-T181 PolarHBondContact O-OG1 3.35Å; A178-T181 WeakPolarHBondContact CA-OG1 3.16Å; A178-T181 PolarHBondContact O-N 2.9Å; A178-T181 PolarHBondContact O-OG1 3.36Å; S179-T181 VanDerWaalsContact C-N 3.33Å; S179-T181 PolarHBondContact O-N 3.34Å; T181-T184 PolarHBondContact O-N 3.4Å; T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.94Å; T181-F217 HydrophobicContact CG2-CB 4.28Å; T181-S218 VanDerWaalsContact OG1-CA 3.27Å; T181-S218 WeakPolarHBondContact OG1-CA 3.5Å; T181-S218 WeakPolarHBondContact OG1-CB 3.47Å |
| 182 | L | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 172.6 | -72.4 | 168.2 | 0 | 0 | 0 | 112.9 | I67 L70 N71 W76 L105 A178 S179 T184 A185 F186 | I67-L182 WeakPolarHBondContact CG2-O 3.47Å; L70-L182 HydrophobicContact CB-CD1 4.47Å; N71-L182 HydrophobicContact CB-CB 4.49Å; N71-L182 HydrophobicContact CB-CD1 4.35Å; W76-L182 HydrophobicContact CH2-CD1 3.98Å; W76-L182 HydrophobicContact CZ2-CD1 3.61Å; L105-L182 HydrophobicContact CD1-CD1 3.6Å; A178-L182 WeakPolarHBondContact O-CB 3.44Å; A178-L182 VanDerWaalsContact O-CG 3.25Å; A178-L182 WeakPolarHBondContact O-CG 3.41Å; A178-L182 PolarHBondContact O-N 3.07Å; S179-L182 PolarHBondContact O-N 2.87Å; L182-T184 VanDerWaalsContact C-N 3.32Å; L182-A185 WeakPolarHBondContact O-CB 3.38Å; L182-A185 PolarHBondContact O-N 3.27Å; L182-F186 PolarHBondContact O-N 3.49Å |
| 183 | W | 96.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 39% | 0.39 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 172.5 | -80.9 | 115.8 | 0 | 0 | 0 | 112 | N71 F72 Y106 S179 A180 A185 F186 C187 | N71-W183 PolarHBondContact ND2-NE1 3.41Å; N71-W183 VanDerWaalsContact ND2-NE1 3.18Å; F72-W183 HydrophobicContact CE2-CH2 4.21Å; F72-W183 AromaticContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CE2-CZ2 3.97Å; F72-W183 HydrophobicContact CZ-CH2 4.38Å; F72-W183 AromaticContact CZ-CZ2 3.87Å; F72-W183 HydrophobicContact CZ-CZ2 3.87Å; Y106-W183 PolarHBondContact OH-NE1 3Å; S179-W183 VanDerWaalsContact O-CD1 3.24Å; S179-W183 PolarHBondContact O-N 3.06Å; A180-W183 PolarHBondContact O-N 3.15Å; W183-A185 VanDerWaalsContact C-N 3.34Å; W183-F186 HydrophobicContact CE3-CB 4.5Å; W183-F186 HydrophobicContact CE3-CD1 4.12Å; W183-F186 HydrophobicContact CZ3-CD1 4.02Å; W183-F186 HydrophobicContact CZ3-CE1 4.41Å; W183-F186 WeakPolarHBondContact O-CB 3.37Å; W183-F186 PolarHBondContact O-N 2.98Å; W183-C187 PolarHBondContact O-N 3.2Å; W183-C187 PolarHBondContact O-SG 3.27Å; W183-C187 VanDerWaalsContact O-SG 3.4Å |
| 184 | T | 96.5 | Very high | 94 | Very high | 57 Ų | 57 | 46.4 Ų | 46.4 | 35% | 0.35 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 174.2 | -52.5 | 0 | 0 | 0 | 0 | 111 | A180 T181 L182 F186 C187 C188 F214 | A180-T184 PolarHBondContact O-N 2.96Å; A180-T184 PolarHBondContact O-OG1 3.04Å; T181-T184 PolarHBondContact O-N 3.4Å; L182-T184 VanDerWaalsContact C-N 3.32Å; T184-F186 VanDerWaalsContact C-N 3.32Å; T184-F186 PolarHBondContact O-N 2.99Å; T184-C187 PolarHBondContact O-N 2.64Å; T184-C188 PolarHBondContact O-N 3.19Å; T184-C188 PolarHBondContact O-SG 3.02Å; T184-C188 VanDerWaalsContact O-SG 3.38Å; T184-F214 HydrophobicContact CG2-CD1 4.05Å; T184-F214 HydrophobicContact CG2-CD2 3.93Å; T184-F214 HydrophobicContact CG2-CE1 3.79Å; T184-F214 HydrophobicContact CG2-CE2 3.67Å; T184-F214 HydrophobicContact CG2-CG 4.13Å; T184-F214 HydrophobicContact CG2-CZ 3.6Å |
| 185 | A | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60 | -41.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | T181 L182 W183 C187 C188 W189 T211 F214 I215 | T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.94Å; L182-A185 WeakPolarHBondContact O-CB 3.38Å; L182-A185 PolarHBondContact O-N 3.27Å; W183-A185 VanDerWaalsContact C-N 3.34Å; A185-C187 PolarHBondContact O-N 3.25Å; A185-C188 PolarHBondContact O-N 3.02Å; A185-W189 WeakPolarHBondContact O-CB 3.29Å; A185-W189 PolarHBondContact O-N 2.6Å; A185-T211 HydrophobicContact CB-CG2 4.23Å; A185-T211 WeakPolarHBondContact O-CG2 3.41Å; A185-F214 HydrophobicContact CB-CB 3.74Å; A185-I215 HydrophobicContact CB-CG1 4.03Å |
| 186 | F | 95.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 17% | 0.171 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 176 | -176.5 | -110.7 | 0 | 0 | 0 | 112 | I67 V68 L182 W183 T184 W189 I190 | I67-F186 HydrophobicContact CG2-CB 3.83Å; I67-F186 HydrophobicContact CG2-CD2 4.38Å; V68-F186 HydrophobicContact CG2-CD2 3.55Å; V68-F186 HydrophobicContact CG2-CE2 3.4Å; V68-F186 HydrophobicContact CG2-CG 4.26Å; V68-F186 HydrophobicContact CG2-CZ 4Å; L182-F186 PolarHBondContact O-N 3.49Å; W183-F186 HydrophobicContact CE3-CB 4.5Å; W183-F186 HydrophobicContact CE3-CD1 4.12Å; W183-F186 HydrophobicContact CZ3-CD1 4.02Å; W183-F186 HydrophobicContact CZ3-CE1 4.41Å; W183-F186 WeakPolarHBondContact O-CB 3.37Å; W183-F186 PolarHBondContact O-N 2.98Å; T184-F186 VanDerWaalsContact C-N 3.32Å; T184-F186 PolarHBondContact O-N 2.99Å; F186-W189 AromaticContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CZ3 4.16Å; F186-W189 AromaticContact CE2-CE3 3.59Å; F186-W189 HydrophobicContact CE2-CE3 3.59Å; F186-W189 AromaticContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CE2-CZ3 3.47Å; F186-W189 VanDerWaalsContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CZ-CE3 4.36Å; F186-W189 HydrophobicContact CZ-CZ3 4.03Å; F186-W189 WeakPolarHBondContact O-CB 3.39Å; F186-W189 PolarHBondContact O-N 3.23Å; F186-I190 HydrophobicContact CD1-CD1 4.02Å; F186-I190 HydrophobicContact CE1-CD1 3.54Å; F186-I190 HydrophobicContact CE1-CG1 4.36Å; F186-I190 HydrophobicContact CZ-CD1 3.88Å; F186-I190 HydrophobicContact CZ-CG1 4.36Å; F186-I190 WeakPolarHBondContact O-CG1 3.32Å; F186-I190 PolarHBondContact O-N 3.49Å |
| 187 | C | 96.4 | Very high | 93.2 | Very high | 69 Ų | 69 | 49 Ų | 49 | 47% | 0.466 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 173.9 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | W183 T184 A185 W189 I190 L191 | W183-C187 PolarHBondContact O-N 3.2Å; W183-C187 PolarHBondContact O-SG 3.27Å; W183-C187 VanDerWaalsContact O-SG 3.4Å; T184-C187 PolarHBondContact O-N 2.64Å; A185-C187 PolarHBondContact O-N 3.25Å; C187-W189 VanDerWaalsContact C-N 3.29Å; C187-W189 PolarHBondContact O-N 2.55Å; C187-I190 PolarHBondContact O-N 2.8Å; C187-L191 WeakPolarHBondContact O-CG 3.47Å; C187-L191 PolarHBondContact O-N 3.13Å |
| 188 | C | 95.1 | Very high | 92.6 | Very high | 13 Ų | 13 | 46.8 Ų | 46.8 | 9% | 0.088 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -35.8 | 175.3 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | T184 A185 L191 S192 M207 T211 | T184-C188 PolarHBondContact O-N 3.19Å; T184-C188 PolarHBondContact O-SG 3.02Å; T184-C188 VanDerWaalsContact O-SG 3.38Å; A185-C188 PolarHBondContact O-N 3.02Å; C188-L191 PolarHBondContact O-N 2.9Å; C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.42Å; C188-S192 PolarHBondContact O-N 3.22Å; C188-M207 HydrophobicContact CB-CE 4.03Å; C188-T211 VanDerWaalsContact C-OG1 3.31Å; C188-T211 VanDerWaalsContact CB-OG1 3.22Å; C188-T211 WeakPolarHBondContact CB-OG1 3.25Å |
| 189 | W | 95.8 | Very high | 91.6 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 13% | 0.129 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.2 | 168.7 | 82.5 | 0 | 0 | 0 | 111.6 | F31 S60 I67 A185 F186 C187 L191 S192 N193 T211 | F31-W189 HydrophobicContact CE1-CH2 4.38Å; S60-W189 WeakPolarHBondContact O-CZ2 3.3Å; S60-W189 PolarHBondContact O-NE1 3.09Å; S60-W189 PolarHBondContact OG-NE1 2.98Å; S60-W189 VanDerWaalsContact OG-NE1 3.13Å; I67-W189 HydrophobicContact CD1-CB 4.14Å; I67-W189 HydrophobicContact CD1-CG 4.39Å; A185-W189 WeakPolarHBondContact O-CB 3.29Å; A185-W189 PolarHBondContact O-N 2.6Å; F186-W189 AromaticContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CE3 3.78Å; F186-W189 HydrophobicContact CD2-CZ3 4.16Å; F186-W189 AromaticContact CE2-CE3 3.59Å; F186-W189 HydrophobicContact CE2-CE3 3.59Å; F186-W189 AromaticContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CE2-CZ3 3.47Å; F186-W189 VanDerWaalsContact CE2-CZ3 3.47Å; F186-W189 HydrophobicContact CZ-CE3 4.36Å; F186-W189 HydrophobicContact CZ-CZ3 4.03Å; F186-W189 WeakPolarHBondContact O-CB 3.39Å; F186-W189 PolarHBondContact O-N 3.23Å; C187-W189 VanDerWaalsContact C-N 3.29Å; C187-W189 PolarHBondContact O-N 2.55Å; W189-L191 PolarHBondContact O-N 2.96Å; W189-S192 PolarHBondContact O-N 2.91Å; W189-N193 PolarHBondContact NE1-ND2 3.24Å; W189-N193 PolarHBondContact O-N 3.45Å; W189-N193 PolarHBondContact O-ND2 2.97Å; W189-T211 HydrophobicContact CB-CG2 4.05Å; W189-T211 PolarHBondContact N-OG1 3.13Å |
| 190 | I | 94.3 | Very high | 90.7 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 174.4 | -68.1 | 174.1 | 0 | 0 | 0 | 110.2 | F186 C187 S192 N193 I194 | F186-I190 HydrophobicContact CD1-CD1 4.02Å; F186-I190 HydrophobicContact CE1-CD1 3.54Å; F186-I190 HydrophobicContact CE1-CG1 4.36Å; F186-I190 HydrophobicContact CZ-CD1 3.88Å; F186-I190 HydrophobicContact CZ-CG1 4.36Å; F186-I190 WeakPolarHBondContact O-CG1 3.32Å; F186-I190 PolarHBondContact O-N 3.49Å; C187-I190 PolarHBondContact O-N 2.8Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.46Å; I190-N193 WeakPolarHBondContact O-CB 3.03Å; I190-N193 PolarHBondContact O-N 2.61Å; I190-N193 VanDerWaalsContact O-N 3.16Å; I190-I194 HydrophobicContact CG2-CD1 3.88Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.43Å |
| 191 | L | 93.6 | Very high | 90 | Very high | 87 Ų | 87 | 53.8 Ų | 53.8 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 178.9 | -71.1 | 171.9 | 0 | 0 | 0 | 111.9 | C187 C188 W189 N193 I194 L195 M207 | C187-L191 WeakPolarHBondContact O-CG 3.47Å; C187-L191 PolarHBondContact O-N 3.13Å; C188-L191 PolarHBondContact O-N 2.9Å; W189-L191 PolarHBondContact O-N 2.96Å; L191-N193 VanDerWaalsContact C-N 3.35Å; L191-N193 PolarHBondContact O-N 3.05Å; L191-I194 PolarHBondContact O-N 3.4Å; L191-L195 WeakPolarHBondContact O-CB 3.16Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.16Å; L191-L195 PolarHBondContact O-N 2.97Å; L191-M207 HydrophobicContact CB-CE 3.82Å; L191-M207 HydrophobicContact CD1-CE 3.63Å; L191-M207 HydrophobicContact CG-CE 4.39Å |
| 192 | S | 92.3 | Very high | 89.5 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.3 | -45.1 | 174.8 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | C188 W189 I190 I194 L195 F196 A204 T208 | C188-S192 VanDerWaalsContact O-CB 3.3Å; C188-S192 WeakPolarHBondContact O-CB 3.42Å; C188-S192 PolarHBondContact O-N 3.22Å; W189-S192 PolarHBondContact O-N 2.91Å; I190-S192 VanDerWaalsContact C-N 3.32Å; I190-S192 PolarHBondContact O-N 3.46Å; S192-I194 PolarHBondContact O-N 3.01Å; S192-L195 PolarHBondContact O-N 2.89Å; S192-F196 WeakPolarHBondContact O-CD2 3.43Å; S192-F196 PolarHBondContact O-N 3.4Å; S192-F196 WeakPolarHBondContact OG-CE2 3.35Å; S192-A204 PolarHBondContact OG-O 3.15Å; S192-T208 PolarHBondContact OG-OG1 3.38Å |
| 193 | N | 91.4 | Very high | 89.2 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 19% | 0.193 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 177 | -82.5 | -79 | 0 | 0 | 0 | 112.9 | S60 W189 I190 L191 F196 F197 | S60-N193 WeakPolarHBondContact CB-OD1 3.31Å; S60-N193 PolarHBondContact OG-ND2 3.24Å; S60-N193 PolarHBondContact OG-OD1 2.86Å; W189-N193 PolarHBondContact NE1-ND2 3.24Å; W189-N193 PolarHBondContact O-N 3.45Å; W189-N193 PolarHBondContact O-ND2 2.97Å; I190-N193 WeakPolarHBondContact O-CB 3.03Å; I190-N193 PolarHBondContact O-N 2.61Å; I190-N193 VanDerWaalsContact O-N 3.16Å; L191-N193 VanDerWaalsContact C-N 3.35Å; L191-N193 PolarHBondContact O-N 3.05Å; N193-F196 PolarHBondContact O-N 3.43Å; N193-F197 WeakPolarHBondContact O-CD2 3.47Å |
| 194 | I | 90.5 | Very high | 88.8 | Confident | 92 Ų | 92 | 55.6 Ų | 55.6 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.5 | -65.3 | 166.9 | 0 | 0 | 0 | 110 | I190 L191 S192 F196 F197 L198 | I190-I194 HydrophobicContact CG2-CD1 3.88Å; I190-I194 WeakPolarHBondContact O-CG1 3.26Å; I190-I194 PolarHBondContact O-N 3.43Å; L191-I194 PolarHBondContact O-N 3.4Å; S192-I194 PolarHBondContact O-N 3.01Å; I194-F196 VanDerWaalsContact C-N 3.26Å; I194-F196 PolarHBondContact O-N 3.48Å; I194-F197 WeakPolarHBondContact O-CB 3.28Å; I194-F197 PolarHBondContact O-N 3.4Å; I194-L198 PolarHBondContact O-N 2.93Å |
| 195 | L | 88.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 20% | 0.204 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.6 | -29 | 179 | -68.7 | 165.2 | 0 | 0 | 0 | 112.6 | L191 S192 F197 L198 A204 M207 | L191-L195 WeakPolarHBondContact O-CB 3.16Å; L191-L195 WeakPolarHBondContact O-CD1 3.32Å; L191-L195 VanDerWaalsContact O-CG 3.26Å; L191-L195 WeakPolarHBondContact O-CG 3.16Å; L191-L195 PolarHBondContact O-N 2.97Å; S192-L195 PolarHBondContact O-N 2.89Å; L195-F197 PolarHBondContact O-N 2.92Å; L195-L198 HydrophobicContact CD2-CD1 4.3Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L195-A204 HydrophobicContact CB-CB 3.65Å; L195-M207 HydrophobicContact CD1-CB 4.34Å; L195-M207 HydrophobicContact CD1-CG 3.65Å |
| 196 | F | 84.7 | Confident | 88.4 | Confident | 30 Ų | 30 | 58.2 Ų | 58.2 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.1 | 172.9 | -82.1 | -56.7 | 0 | 0 | 0 | 114.8 | R56 S192 N193 I194 I201 A204 V265 | R56-F196 PolarHBondContact NH1-O 3.26Å; S192-F196 WeakPolarHBondContact O-CD2 3.43Å; S192-F196 PolarHBondContact O-N 3.4Å; S192-F196 WeakPolarHBondContact OG-CE2 3.35Å; N193-F196 PolarHBondContact O-N 3.43Å; I194-F196 VanDerWaalsContact C-N 3.26Å; I194-F196 PolarHBondContact O-N 3.48Å; F196-I201 HydrophobicContact CE1-CG2 4.44Å; F196-A204 HydrophobicContact CD1-CB 3.63Å; F196-A204 HydrophobicContact CD2-CB 4Å; F196-A204 HydrophobicContact CE1-CB 3.67Å; F196-A204 HydrophobicContact CE2-CB 4.04Å; F196-A204 HydrophobicContact CG-CB 3.78Å; F196-A204 HydrophobicContact CZ-CB 3.88Å; F196-V265 HydrophobicContact CE1-CG1 4.43Å; F196-V265 HydrophobicContact CE1-CG2 4.19Å; F196-V265 HydrophobicContact CZ-CG2 4.25Å |
| 197 | F | 82.5 | Confident | 88.3 | Confident | 135 Ų | 135 | 58.6 Ų | 58.6 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -17.9 | 168.8 | -70 | -73 | 0 | 0 | 0 | 112.7 | N193 I194 L195 | N193-F197 WeakPolarHBondContact O-CD2 3.47Å; I194-F197 WeakPolarHBondContact O-CB 3.28Å; I194-F197 PolarHBondContact O-N 3.4Å; L195-F197 PolarHBondContact O-N 2.92Å |
| 198 | L | 80.8 | Confident | 88.2 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -88.9 | 159.1 | 176.9 | -65.7 | 176.4 | 0 | 0 | 0 | 110.9 | I194 L195 D200 | I194-L198 PolarHBondContact O-N 2.93Å; L195-L198 HydrophobicContact CD2-CD1 4.3Å; L195-L198 PolarHBondContact O-N 3.4Å; L195-L198 VanDerWaalsContact O-N 3.12Å; L198-D200 PolarHBondContact O-N 3.41Å |
| 199 | P | 71.6 | Confident | 88.2 | Confident | 102 Ų | 102 | 58.6 Ų | 58.6 | 66% | 0.662 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -65.1 | -16.6 | 178.5 | 23.9 | -33.2 | 0 | 0 | 0 | 113.8 | I201 | P199-I201 PolarHBondContact O-N 2.85Å; P199-I201 VanDerWaalsContact O-N 3.15Å |
| 200 | D | 75.1 | Confident | 88.2 | Confident | 95 Ų | 95 | 58.4 Ų | 58.4 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | trans | -89.8 | 69.9 | -175.3 | -63.4 | -42.6 | 0 | 0 | 0 | 113.8 | L198 V202 Y203 | L198-D200 PolarHBondContact O-N 3.41Å; D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 2.97Å; D200-Y203 HydrophobicContact CB-CD2 4Å; D200-Y203 PolarHBondContact O-N 3.25Å | ||
| 201 | I | 80.9 | Confident | 88.2 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.062 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -24.6 | -172.6 | -58.9 | 151.1 | 0 | 0 | 0 | 113.8 | F196 P199 Y203 A204 G205 V265 V276 F280 | F196-I201 HydrophobicContact CE1-CG2 4.44Å; P199-I201 PolarHBondContact O-N 2.85Å; P199-I201 VanDerWaalsContact O-N 3.15Å; I201-Y203 PolarHBondContact O-N 2.91Å; I201-A204 WeakPolarHBondContact O-CB 3.25Å; I201-A204 PolarHBondContact O-N 2.87Å; I201-G205 PolarHBondContact O-N 3.31Å; I201-V265 HydrophobicContact CG2-CG1 3.68Å; I201-V276 HydrophobicContact CD1-CG1 3.72Å; I201-F280 HydrophobicContact CD1-CB 3.61Å; I201-F280 HydrophobicContact CD1-CD1 3.8Å; I201-F280 HydrophobicContact CD1-CD2 3.35Å; I201-F280 HydrophobicContact CD1-CE1 4.24Å; I201-F280 HydrophobicContact CD1-CE2 3.84Å; I201-F280 HydrophobicContact CD1-CG 3.31Å; I201-F280 HydrophobicContact CD1-CZ 4.26Å; I201-F280 HydrophobicContact CG1-CD1 4.06Å; I201-F280 HydrophobicContact CG1-CD2 4.34Å; I201-F280 HydrophobicContact CG1-CE1 4.26Å; I201-F280 HydrophobicContact CG1-CG 4.1Å; I201-F280 HydrophobicContact CG1-CZ 4.48Å |
| 202 | V | 84.7 | Confident | 88.4 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | -177.3 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | D200 A204 G205 Y206 Y269 | D200-V202 VanDerWaalsContact C-N 3.26Å; D200-V202 PolarHBondContact O-N 2.97Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 3Å; V202-G205 PolarHBondContact O-N 3.46Å; V202-Y206 HydrophobicContact CG1-CD2 4.05Å; V202-Y206 HydrophobicContact CG1-CE2 3.47Å; V202-Y206 VanDerWaalsContact CG1-CE2 3.47Å; V202-Y206 WeakPolarHBondContact O-CD2 3.48Å; V202-Y206 PolarHBondContact O-N 2.97Å; V202-Y269 HydrophobicContact CG1-CD1 4.32Å; V202-Y269 HydrophobicContact CG1-CE1 4.38Å; V202-Y269 HydrophobicContact CG2-CD1 3.64Å; V202-Y269 HydrophobicContact CG2-CD2 3.24Å; V202-Y269 HydrophobicContact CG2-CE1 3.62Å; V202-Y269 HydrophobicContact CG2-CE2 3.21Å; V202-Y269 HydrophobicContact CG2-CG 3.45Å; V202-Y269 VanDerWaalsContact CG2-CG 3.45Å |
| 203 | Y | 89.1 | Confident | 88.6 | Confident | 147 Ų | 147 | 52.9 Ų | 52.9 | 58% | 0.576 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -67.3 | -33.9 | 177.9 | -63.4 | -77.5 | 0 | 0 | 0 | 111.3 | D200 I201 G205 Y206 M207 | D200-Y203 HydrophobicContact CB-CD2 4Å; D200-Y203 PolarHBondContact O-N 3.25Å; I201-Y203 PolarHBondContact O-N 2.91Å; Y203-G205 VanDerWaalsContact C-N 3.32Å; Y203-G205 PolarHBondContact O-N 3.44Å; Y203-Y206 PolarHBondContact O-N 3.5Å; Y203-M207 WeakPolarHBondContact O-CB 3.19Å; Y203-M207 VanDerWaalsContact O-CG 3.28Å; Y203-M207 WeakPolarHBondContact O-CG 3.4Å; Y203-M207 PolarHBondContact O-N 3.34Å |
| 204 | A | 89.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | S192 L195 F196 I201 V202 M207 T208 | S192-A204 PolarHBondContact OG-O 3.15Å; L195-A204 HydrophobicContact CB-CB 3.65Å; F196-A204 HydrophobicContact CD1-CB 3.63Å; F196-A204 HydrophobicContact CD2-CB 4Å; F196-A204 HydrophobicContact CE1-CB 3.67Å; F196-A204 HydrophobicContact CE2-CB 4.04Å; F196-A204 HydrophobicContact CG-CB 3.78Å; F196-A204 HydrophobicContact CZ-CB 3.88Å; I201-A204 WeakPolarHBondContact O-CB 3.25Å; I201-A204 PolarHBondContact O-N 2.87Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 3Å; A204-M207 PolarHBondContact O-N 2.93Å; A204-T208 WeakPolarHBondContact O-CB 3.19Å; A204-T208 PolarHBondContact O-N 3.11Å; A204-T208 PolarHBondContact O-OG1 3.32Å |
| 205 | G | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -49.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I201 V202 Y203 M207 T208 M209 | I201-G205 PolarHBondContact O-N 3.31Å; V202-G205 PolarHBondContact O-N 3.46Å; Y203-G205 VanDerWaalsContact C-N 3.32Å; Y203-G205 PolarHBondContact O-N 3.44Å; G205-M207 PolarHBondContact O-N 3.2Å; G205-T208 WeakPolarHBondContact O-CB 3.48Å; G205-T208 PolarHBondContact O-N 2.99Å; G205-M209 WeakPolarHBondContact O-CG 3.43Å; G205-M209 PolarHBondContact O-N 3.3Å |
| 206 | Y | 92.9 | Very high | 89.5 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.2 | -67 | -43.6 | 0 | 0 | 0 | 112.9 | V202 Y203 T208 M209 A210 V266 | V202-Y206 HydrophobicContact CG1-CD2 4.05Å; V202-Y206 HydrophobicContact CG1-CE2 3.47Å; V202-Y206 VanDerWaalsContact CG1-CE2 3.47Å; V202-Y206 WeakPolarHBondContact O-CD2 3.48Å; V202-Y206 PolarHBondContact O-N 2.97Å; Y203-Y206 PolarHBondContact O-N 3.5Å; Y206-T208 VanDerWaalsContact C-N 3.3Å; Y206-T208 PolarHBondContact O-N 2.98Å; Y206-M209 PolarHBondContact O-N 3.16Å; Y206-A210 WeakPolarHBondContact O-CB 3.37Å; Y206-A210 PolarHBondContact O-N 3.32Å; Y206-V266 HydrophobicContact CD1-CG2 4.23Å; Y206-V266 HydrophobicContact CE1-CG2 4.11Å |
| 207 | M | 94.4 | Very high | 90 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.9 | -32 | 176.9 | -69 | -55.6 | -67 | 0 | 0 | 112.5 | C188 L191 L195 Y203 A204 G205 A210 T211 | C188-M207 HydrophobicContact CB-CE 4.03Å; L191-M207 HydrophobicContact CB-CE 3.82Å; L191-M207 HydrophobicContact CD1-CE 3.63Å; L191-M207 HydrophobicContact CG-CE 4.39Å; L195-M207 HydrophobicContact CD1-CB 4.34Å; L195-M207 HydrophobicContact CD1-CG 3.65Å; Y203-M207 WeakPolarHBondContact O-CB 3.19Å; Y203-M207 VanDerWaalsContact O-CG 3.28Å; Y203-M207 WeakPolarHBondContact O-CG 3.4Å; Y203-M207 PolarHBondContact O-N 3.34Å; A204-M207 PolarHBondContact O-N 2.93Å; G205-M207 PolarHBondContact O-N 3.2Å; M207-A210 PolarHBondContact O-N 3.41Å; M207-T211 PolarHBondContact O-N 3.15Å; M207-T211 PolarHBondContact O-OG1 3.47Å |
| 208 | T | 93.7 | Very high | 90.6 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.3 | -41.2 | 172.4 | -53.4 | 0 | 0 | 0 | 0 | 111.3 | S192 A204 G205 Y206 T211 A212 C258 I261 | S192-T208 PolarHBondContact OG-OG1 3.38Å; A204-T208 WeakPolarHBondContact O-CB 3.19Å; A204-T208 PolarHBondContact O-N 3.11Å; A204-T208 PolarHBondContact O-OG1 3.32Å; G205-T208 WeakPolarHBondContact O-CB 3.48Å; G205-T208 PolarHBondContact O-N 2.99Å; Y206-T208 VanDerWaalsContact C-N 3.3Å; Y206-T208 PolarHBondContact O-N 2.98Å; T208-T211 WeakPolarHBondContact O-CB 3.2Å; T208-T211 PolarHBondContact O-N 2.94Å; T208-A212 PolarHBondContact O-N 3.46Å; T208-A212 VanDerWaalsContact O-N 3.1Å; T208-C258 HydrophobicContact CG2-CB 4.45Å; T208-I261 HydrophobicContact CG2-CG2 4.3Å |
| 209 | M | 94.8 | Very high | 91.2 | Very high | 72 Ų | 72 | 45.7 Ų | 45.7 | 36% | 0.355 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -40 | 173.4 | -68.1 | -176 | 68.3 | 0 | 0 | 112 | G205 Y206 T211 A212 A213 V266 | G205-M209 WeakPolarHBondContact O-CG 3.43Å; G205-M209 PolarHBondContact O-N 3.3Å; Y206-M209 PolarHBondContact O-N 3.16Å; M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 2.99Å; M209-A212 WeakPolarHBondContact O-CB 3.1Å; M209-A212 PolarHBondContact O-N 2.87Å; M209-A213 PolarHBondContact O-N 3.4Å; M209-V266 HydrophobicContact SD-CG2 4.25Å |
| 210 | A | 95.8 | Very high | 92.2 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 26% | 0.256 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.4 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y206 M207 A212 A213 F214 | Y206-A210 WeakPolarHBondContact O-CB 3.37Å; Y206-A210 PolarHBondContact O-N 3.32Å; M207-A210 PolarHBondContact O-N 3.41Å; A210-A212 VanDerWaalsContact C-N 3.31Å; A210-A212 PolarHBondContact O-N 3.34Å; A210-A213 WeakPolarHBondContact O-CB 3.28Å; A210-A213 PolarHBondContact O-N 3.2Å; A210-F214 WeakPolarHBondContact O-CD2 3.41Å; A210-F214 PolarHBondContact O-N 2.99Å |
| 211 | T | 95.9 | Very high | 93 | Very high | 4 Ų | 4 | 40.1 Ų | 40.1 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.8 | -46.9 | 173 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | I67 A185 C188 W189 M207 T208 M209 A213 F214 I215 | I67-T211 HydrophobicContact CD1-CG2 3.97Å; A185-T211 HydrophobicContact CB-CG2 4.23Å; A185-T211 WeakPolarHBondContact O-CG2 3.41Å; C188-T211 VanDerWaalsContact C-OG1 3.31Å; C188-T211 VanDerWaalsContact CB-OG1 3.22Å; C188-T211 WeakPolarHBondContact CB-OG1 3.25Å; W189-T211 HydrophobicContact CB-CG2 4.05Å; W189-T211 PolarHBondContact N-OG1 3.13Å; M207-T211 PolarHBondContact O-N 3.15Å; M207-T211 PolarHBondContact O-OG1 3.47Å; T208-T211 WeakPolarHBondContact O-CB 3.2Å; T208-T211 PolarHBondContact O-N 2.94Å; M209-T211 VanDerWaalsContact C-N 3.33Å; M209-T211 PolarHBondContact O-N 2.99Å; T211-A213 PolarHBondContact O-N 3.33Å; T211-F214 PolarHBondContact O-N 3.27Å; T211-I215 HydrophobicContact CG2-CD1 4.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.38Å; T211-I215 PolarHBondContact O-N 3.46Å; T211-I215 VanDerWaalsContact O-N 3.11Å |
| 212 | A | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T208 M209 A210 F214 I215 F216 C258 T259 | T208-A212 PolarHBondContact O-N 3.46Å; T208-A212 VanDerWaalsContact O-N 3.1Å; M209-A212 WeakPolarHBondContact O-CB 3.1Å; M209-A212 PolarHBondContact O-N 2.87Å; A210-A212 VanDerWaalsContact C-N 3.31Å; A210-A212 PolarHBondContact O-N 3.34Å; A212-F214 VanDerWaalsContact C-N 3.35Å; A212-F214 PolarHBondContact O-N 3.46Å; A212-I215 WeakPolarHBondContact O-CB 3.35Å; A212-I215 PolarHBondContact O-N 2.87Å; A212-I215 VanDerWaalsContact O-N 3.15Å; A212-F216 HydrophobicContact CB-CE2 4.26Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 PolarHBondContact O-N 3.2Å; A212-C258 HydrophobicContact CB-CB 3.68Å; A212-T259 WeakPolarHBondContact CB-OG1 3.41Å |
| 213 | A | 96.7 | Very high | 93.7 | Very high | 38 Ų | 38 | 40.8 Ų | 40.8 | 31% | 0.314 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.8 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M209 A210 T211 I215 F216 F217 | M209-A213 PolarHBondContact O-N 3.4Å; A210-A213 WeakPolarHBondContact O-CB 3.28Å; A210-A213 PolarHBondContact O-N 3.2Å; T211-A213 PolarHBondContact O-N 3.33Å; A213-I215 PolarHBondContact O-N 2.86Å; A213-F216 PolarHBondContact O-N 2.84Å; A213-F217 HydrophobicContact CB-CE2 4.45Å; A213-F217 VanDerWaalsContact O-CD2 3.31Å; A213-F217 WeakPolarHBondContact O-CD2 3.4Å; A213-F217 WeakPolarHBondContact O-CG 3.02Å; A213-F217 PolarHBondContact O-N 3.42Å |
| 214 | F | 97 | Very high | 93.6 | Very high | 61 Ų | 61 | 36.6 Ų | 36.6 | 27% | 0.268 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.7 | -35.5 | 175.9 | -74.3 | -62.1 | 0 | 0 | 0 | 113 | T184 A185 A210 T211 A212 F217 S218 | T184-F214 HydrophobicContact CG2-CD1 4.05Å; T184-F214 HydrophobicContact CG2-CD2 3.93Å; T184-F214 HydrophobicContact CG2-CE1 3.79Å; T184-F214 HydrophobicContact CG2-CE2 3.67Å; T184-F214 HydrophobicContact CG2-CG 4.13Å; T184-F214 HydrophobicContact CG2-CZ 3.6Å; A185-F214 HydrophobicContact CB-CB 3.74Å; A210-F214 WeakPolarHBondContact O-CD2 3.41Å; A210-F214 PolarHBondContact O-N 2.99Å; T211-F214 PolarHBondContact O-N 3.27Å; A212-F214 VanDerWaalsContact C-N 3.35Å; A212-F214 PolarHBondContact O-N 3.46Å; F214-F217 HydrophobicContact CD1-CD2 4.12Å; F214-F217 PolarHBondContact O-N 3.4Å; F214-S218 PolarHBondContact O-N 3.38Å |
| 215 | I | 96 | Very high | 93.2 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 171.6 | -65.2 | 167.8 | 0 | 0 | 0 | 110.2 | I67 A185 T211 A212 A213 F217 S218 M219 A251 T254 | I67-I215 HydrophobicContact CD1-CD1 4.23Å; I67-I215 HydrophobicContact CG1-CD1 4.09Å; A185-I215 HydrophobicContact CB-CG1 4.03Å; T211-I215 HydrophobicContact CG2-CD1 4.28Å; T211-I215 WeakPolarHBondContact O-CG1 3.38Å; T211-I215 PolarHBondContact O-N 3.46Å; T211-I215 VanDerWaalsContact O-N 3.11Å; A212-I215 WeakPolarHBondContact O-CB 3.35Å; A212-I215 PolarHBondContact O-N 2.87Å; A212-I215 VanDerWaalsContact O-N 3.15Å; A213-I215 PolarHBondContact O-N 2.86Å; I215-F217 PolarHBondContact O-N 3.22Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.4Å; I215-S218 PolarHBondContact O-OG 3.05Å; I215-M219 HydrophobicContact CG2-CE 4.32Å; I215-M219 PolarHBondContact O-N 2.96Å; I215-M219 VanDerWaalsContact O-N 3.13Å; I215-A251 WeakPolarHBondContact CG2-O 3.4Å; I215-T254 HydrophobicContact CD1-CG2 4.48Å |
| 216 | F | 96.4 | Very high | 92.6 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 30% | 0.303 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.4 | -40.2 | 174.9 | -70 | -64.8 | 0 | 0 | 0 | 112.8 | A212 A213 S218 M219 A220 L252 V256 T259 | A212-F216 HydrophobicContact CB-CE2 4.26Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 PolarHBondContact O-N 3.2Å; A213-F216 PolarHBondContact O-N 2.84Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.64Å; F216-M219 HydrophobicContact CB-CE 4.38Å; F216-M219 HydrophobicContact CD1-CE 3.2Å; F216-M219 HydrophobicContact CE1-CE 3.68Å; F216-M219 HydrophobicContact CG-CE 4.06Å; F216-M219 PolarHBondContact O-N 3.4Å; F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 3.25Å; F216-L252 HydrophobicContact CE1-CD1 3.99Å; F216-V256 HydrophobicContact CE1-CG2 4.47Å; F216-V256 HydrophobicContact CZ-CG2 4.12Å; F216-T259 WeakPolarHBondContact CE2-OG1 3.31Å |
| 217 | F | 95.3 | Very high | 91.6 | Very high | 126 Ų | 126 | 43.9 Ų | 43.9 | 55% | 0.553 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63 | -37.6 | 174.2 | -67.7 | -38.8 | 0 | 0 | 0 | 112.5 | T181 A213 F214 I215 M219 A220 S221 | T181-F217 HydrophobicContact CG2-CB 4.28Å; A213-F217 HydrophobicContact CB-CE2 4.45Å; A213-F217 VanDerWaalsContact O-CD2 3.31Å; A213-F217 WeakPolarHBondContact O-CD2 3.4Å; A213-F217 WeakPolarHBondContact O-CG 3.02Å; A213-F217 PolarHBondContact O-N 3.42Å; F214-F217 HydrophobicContact CD1-CD2 4.12Å; F214-F217 PolarHBondContact O-N 3.4Å; I215-F217 PolarHBondContact O-N 3.22Å; F217-M219 VanDerWaalsContact C-N 3.34Å; F217-M219 PolarHBondContact O-N 3Å; F217-A220 PolarHBondContact O-N 3.29Å; F217-S221 VanDerWaalsContact O-CB 3.28Å; F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 2.79Å |
| 218 | S | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.8 | 79.3 | 0 | 0 | 0 | 0 | 111.9 | T181 F214 I215 F216 S221 F222 | T181-S218 VanDerWaalsContact OG1-CA 3.27Å; T181-S218 WeakPolarHBondContact OG1-CA 3.5Å; T181-S218 WeakPolarHBondContact OG1-CB 3.47Å; F214-S218 PolarHBondContact O-N 3.38Å; I215-S218 WeakPolarHBondContact O-CB 3.39Å; I215-S218 PolarHBondContact O-N 3.4Å; I215-S218 PolarHBondContact O-OG 3.05Å; F216-S218 VanDerWaalsContact C-N 3.32Å; F216-S218 PolarHBondContact O-N 2.64Å; S218-S221 PolarHBondContact O-N 3.28Å; S218-F222 PolarHBondContact O-N 3.11Å |
| 219 | M | 93.4 | Very high | 88.5 | Confident | 10 Ų | 10 | 47.6 Ų | 47.6 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.6 | -67.2 | -173.3 | -65.6 | 0 | 0 | 112.1 | I215 F216 F217 S221 F222 S223 F248 A251 L252 | I215-M219 HydrophobicContact CG2-CE 4.32Å; I215-M219 PolarHBondContact O-N 2.96Å; I215-M219 VanDerWaalsContact O-N 3.13Å; F216-M219 HydrophobicContact CB-CE 4.38Å; F216-M219 HydrophobicContact CD1-CE 3.2Å; F216-M219 HydrophobicContact CE1-CE 3.68Å; F216-M219 HydrophobicContact CG-CE 4.06Å; F216-M219 PolarHBondContact O-N 3.4Å; F217-M219 VanDerWaalsContact C-N 3.34Å; F217-M219 PolarHBondContact O-N 3Å; M219-S221 VanDerWaalsContact C-N 3.34Å; M219-F222 PolarHBondContact O-N 3.48Å; M219-S223 WeakPolarHBondContact O-CB 3.12Å; M219-S223 PolarHBondContact O-N 2.71Å; M219-F248 HydrophobicContact CB-CE2 3.96Å; M219-F248 HydrophobicContact CB-CZ 4.24Å; M219-F248 HydrophobicContact CG-CE2 4.19Å; M219-A251 HydrophobicContact CG-CB 4.07Å; M219-A251 HydrophobicContact SD-CB 3.88Å; M219-L252 HydrophobicContact CE-CB 4.39Å; M219-L252 HydrophobicContact CE-CD1 3.83Å; M219-L252 WeakPolarHBondContact SD-CA 3.33Å; M219-L252 HydrophobicContact SD-CB 3.78Å; M219-L252 HydrophobicContact SD-CD1 4.16Å; M219-L252 PolarHBondContact SD-N 3.48Å; M219-L252 VanDerWaalsContact SD-N 3.35Å |
| 220 | A | 92.9 | Very high | 87 | Confident | 57 Ų | 57 | 55 Ų | 55 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | F216 F217 S223 T224 | F216-A220 WeakPolarHBondContact O-CB 3.48Å; F216-A220 PolarHBondContact O-N 3.25Å; F217-A220 PolarHBondContact O-N 3.29Å; A220-S223 PolarHBondContact O-N 2.93Å; A220-T224 PolarHBondContact O-N 2.9Å |
| 221 | S | 91.8 | Very high | 86 | Confident | 23 Ų | 23 | 54.9 Ų | 54.9 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.4 | -49.6 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | S174 F177 F217 S218 M219 S223 T224 | S174-S221 WeakPolarHBondContact CB-O 3.4Å; S174-S221 PolarHBondContact O-OG 2.78Å; F177-S221 VanDerWaalsContact CB-OG 3.28Å; F177-S221 WeakPolarHBondContact CB-OG 3.43Å; F217-S221 VanDerWaalsContact O-CB 3.28Å; F217-S221 WeakPolarHBondContact O-CB 3.45Å; F217-S221 PolarHBondContact O-N 2.79Å; S218-S221 PolarHBondContact O-N 3.28Å; M219-S221 VanDerWaalsContact C-N 3.34Å; S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.81Å; S221-T224 WeakPolarHBondContact O-CB 3.23Å; S221-T224 WeakPolarHBondContact O-CG2 3.46Å; S221-T224 PolarHBondContact O-N 3.03Å; S221-T224 PolarHBondContact O-OG1 3.2Å |
| 222 | F | 90.6 | Very high | 85.1 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 178.3 | -167 | -96.1 | 0 | 0 | 0 | 112.7 | W76 A77 V103 L105 S218 M219 T224 I225 Y244 F248 | W76-F222 HydrophobicContact CB-CD1 4.46Å; W76-F222 HydrophobicContact CB-CD2 4.4Å; W76-F222 HydrophobicContact CB-CE1 3.77Å; W76-F222 HydrophobicContact CB-CE2 3.7Å; W76-F222 HydrophobicContact CB-CZ 3.34Å; W76-F222 HydrophobicContact CD2-CD2 4.45Å; W76-F222 HydrophobicContact CE3-CB 4.18Å; W76-F222 AromaticContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD1 3.93Å; W76-F222 HydrophobicContact CE3-CD2 4.05Å; W76-F222 HydrophobicContact CE3-CE1 4.36Å; W76-F222 HydrophobicContact CE3-CE2 4.47Å; W76-F222 AromaticContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CE3-CG 3.77Å; W76-F222 HydrophobicContact CG-CE2 4.26Å; W76-F222 HydrophobicContact CG-CZ 4.32Å; W76-F222 HydrophobicContact CZ3-CB 4.26Å; W76-F222 HydrophobicContact CZ3-CG 4.36Å; A77-F222 HydrophobicContact CB-CE1 4.05Å; A77-F222 HydrophobicContact CB-CZ 4.02Å; V103-F222 HydrophobicContact CG1-CZ 4.48Å; L105-F222 HydrophobicContact CD2-CD2 3.95Å; L105-F222 HydrophobicContact CD2-CE2 4.26Å; S218-F222 PolarHBondContact O-N 3.11Å; M219-F222 PolarHBondContact O-N 3.48Å; F222-T224 PolarHBondContact O-N 3.39Å; F222-I225 HydrophobicContact CD1-CD1 4.06Å; F222-I225 HydrophobicContact CD2-CD1 3.48Å; F222-I225 VanDerWaalsContact CD2-CD1 3.48Å; F222-I225 HydrophobicContact CE1-CD1 3.91Å; F222-I225 HydrophobicContact CE2-CD1 3.3Å; F222-I225 HydrophobicContact CG-CD1 3.85Å; F222-I225 HydrophobicContact CZ-CD1 3.52Å; F222-I225 VanDerWaalsContact O-CB 3.32Å; F222-I225 WeakPolarHBondContact O-CB 3.43Å; F222-I225 VanDerWaalsContact O-CD1 3.26Å; F222-I225 WeakPolarHBondContact O-CD1 3.22Å; F222-I225 WeakPolarHBondContact O-CG1 3.1Å; F222-I225 PolarHBondContact O-N 3.32Å; F222-Y244 HydrophobicContact CD1-CE1 4.28Å; F222-Y244 HydrophobicContact CE1-CD1 4.42Å; F222-Y244 HydrophobicContact CE1-CE1 4.39Å; F222-F248 HydrophobicContact CD1-CD2 4.23Å; F222-F248 HydrophobicContact CD1-CE2 4.45Å |
| 223 | S | 90 | Very high | 84.3 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -20.6 | 178.4 | -171.9 | 0 | 0 | 0 | 0 | 113.3 | M219 A220 S221 I225 K226 Y244 | M219-S223 WeakPolarHBondContact O-CB 3.12Å; M219-S223 PolarHBondContact O-N 2.71Å; A220-S223 PolarHBondContact O-N 2.93Å; S221-S223 VanDerWaalsContact C-N 3.31Å; S221-S223 PolarHBondContact O-N 2.81Å; S223-I225 PolarHBondContact O-N 2.92Å; S223-I225 VanDerWaalsContact O-N 3.16Å; S223-K226 PolarHBondContact O-N 3.03Å; S223-Y244 PolarHBondContact OG-OH 2.96Å; S223-Y244 VanDerWaalsContact OG-OH 3.06Å |
| 224 | T | 86.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 36% | 0.356 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -62.6 | -20.9 | 178 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | A220 S221 F222 K226 N227 | A220-T224 PolarHBondContact O-N 2.9Å; S221-T224 WeakPolarHBondContact O-CB 3.23Å; S221-T224 WeakPolarHBondContact O-CG2 3.46Å; S221-T224 PolarHBondContact O-N 3.03Å; S221-T224 PolarHBondContact O-OG1 3.2Å; F222-T224 PolarHBondContact O-N 3.39Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 VanDerWaalsContact O-N 3.15Å; T224-N227 WeakPolarHBondContact O-CB 3.47Å; T224-N227 PolarHBondContact O-N 3.46Å |
| 225 | I | 81.7 | Confident | 82.6 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -54.6 | -33.4 | 174.8 | -65.5 | 170 | 0 | 0 | 0 | 112.2 | Y171 S174 F222 S223 N227 V228 | Y171-I225 HydrophobicContact CD1-CD1 3.72Å; Y171-I225 HydrophobicContact CD1-CG1 4.23Å; Y171-I225 HydrophobicContact CD1-CG2 3.89Å; Y171-I225 HydrophobicContact CD2-CG2 4.17Å; Y171-I225 HydrophobicContact CE1-CB 4.46Å; Y171-I225 HydrophobicContact CE1-CD1 3.94Å; Y171-I225 HydrophobicContact CE1-CG1 4.41Å; Y171-I225 HydrophobicContact CE1-CG2 3.3Å; Y171-I225 HydrophobicContact CE2-CG2 3.62Å; Y171-I225 HydrophobicContact CG-CD1 4.45Å; Y171-I225 HydrophobicContact CG-CG2 4.32Å; Y171-I225 WeakPolarHBondContact OH-CG2 3.48Å; S174-I225 WeakPolarHBondContact OG-CD1 3.3Å; S174-I225 WeakPolarHBondContact OG-CG1 3.18Å; F222-I225 HydrophobicContact CD1-CD1 4.06Å; F222-I225 HydrophobicContact CD2-CD1 3.48Å; F222-I225 VanDerWaalsContact CD2-CD1 3.48Å; F222-I225 HydrophobicContact CE1-CD1 3.91Å; F222-I225 HydrophobicContact CE2-CD1 3.3Å; F222-I225 HydrophobicContact CG-CD1 3.85Å; F222-I225 HydrophobicContact CZ-CD1 3.52Å; F222-I225 VanDerWaalsContact O-CB 3.32Å; F222-I225 WeakPolarHBondContact O-CB 3.43Å; F222-I225 VanDerWaalsContact O-CD1 3.26Å; F222-I225 WeakPolarHBondContact O-CD1 3.22Å; F222-I225 WeakPolarHBondContact O-CG1 3.1Å; F222-I225 PolarHBondContact O-N 3.32Å; S223-I225 PolarHBondContact O-N 2.92Å; S223-I225 VanDerWaalsContact O-N 3.16Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 3.46Å; I225-V228 WeakPolarHBondContact O-CG2 3.38Å |
| 226 | K | 77.4 | Confident | 81.5 | Confident | 110 Ų | 110 | 60.3 Ų | 60.3 | 48% | 0.478 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -76.2 | -11 | 179.8 | -71.8 | -161.6 | 175.4 | -172.9 | 0 | 114.4 | S223 T224 V228 Y244 | S223-K226 PolarHBondContact O-N 3.03Å; T224-K226 PolarHBondContact O-N 3.32Å; T224-K226 VanDerWaalsContact O-N 3.15Å; K226-V228 VanDerWaalsContact C-N 3.3Å; K226-Y244 HydrophobicContact CD-CE2 4.01Å; K226-Y244 WeakPolarHBondContact CD-OH 3.47Å; K226-Y244 VanDerWaalsContact CE-CZ 3.49Å |
| 227 | N | 72.1 | Confident | 80.4 | Confident | 143 Ų | 143 | 66.6 Ų | 66.6 | 77% | 0.765 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -83.1 | -5.2 | 178.1 | -77.6 | -14.3 | 0 | 0 | 0 | 113.5 | T224 I225 | T224-N227 WeakPolarHBondContact O-CB 3.47Å; T224-N227 PolarHBondContact O-N 3.46Å; I225-N227 VanDerWaalsContact C-N 3.29Å; I225-N227 PolarHBondContact O-N 3.46Å |
| 228 | V | 65.4 | Low | 79.4 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 16% | 0.164 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -79.9 | 144 | -178.7 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | Q170 I225 K226 R230 | Q170-V228 HydrophobicContact CB-CG2 3.58Å; Q170-V228 HydrophobicContact CG-CB 4.5Å; Q170-V228 HydrophobicContact CG-CG1 4.23Å; Q170-V228 HydrophobicContact CG-CG2 3.4Å; I225-V228 WeakPolarHBondContact O-CG2 3.38Å; K226-V228 VanDerWaalsContact C-N 3.3Å; V228-R230 PolarHBondContact O-N 3.32Å |
| 229 | P | 58.7 | Low | 78.6 | Confident | 107 Ų | 107 | 68.1 Ų | 68.1 | 70% | 0.695 | 39% | 0.387 | S | S | * | . | trans | -47.9 | 131.1 | 173.4 | 17.3 | -31.8 | 0 | 0 | 0 | 110.9 | C231 | P229-C231 PolarHBondContact O-N 3.02Š| ||
| 230 | R | 63.3 | Low | 77.9 | Confident | 229 Ų | 229 | 68.2 Ų | 68.2 | 86% | 0.864 | 39% | 0.388 | S | S | * | . | trans | -63.8 | 98.4 | -170.7 | -65.3 | -175.6 | -172.1 | 175.9 | 2.6 | 110.2 | V228 V232 | V228-R230 PolarHBondContact O-N 3.32Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-V232 VanDerWaalsContact O-N 3.16Å | ||
| 231 | C | 73.5 | Confident | 77.3 | Confident | 27 Ų | 27 | 70 Ų | 70 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | trans | -68.7 | 108.7 | 161.3 | -134.7 | 0 | 0 | 0 | 0 | 108.2 | C165 M167 P229 | C165-C231 HydrophobicContact CB-CB 4.14Å; C165-C231 WeakPolarHBondContact CB-SG 3.42Å; C165-C231 VanDerWaalsContact SG-CA 3.51Å; C165-C231 WeakPolarHBondContact SG-CB 3.43Å; C165-C231 CovalentContact SG-SG 2.01Å; C165-C231 PolarHBondContact SG-SG 3.27Å; M167-C231 HydrophobicContact CE-CB 3.53Å; M167-C231 VanDerWaalsContact CE-SG 3.52Å; M167-C231 HydrophobicContact CG-CB 4.15Å; M167-C231 HydrophobicContact SD-CB 3.34Å; M167-C231 WeakPolarHBondContact SD-CB 3.45Å; P229-C231 PolarHBondContact O-N 3.02Å | ||
| 232 | V | 77.6 | Confident | 76.9 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | trans | -81.5 | 126.2 | 173 | -176.5 | 0 | 0 | 0 | 0 | 107.8 | K158 R230 S234 | K158-V232 PolarHBondContact NZ-O 3.28Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-V232 VanDerWaalsContact O-N 3.16Å; V232-S234 PolarHBondContact O-N 3.47Å | ||
| 233 | F | 79.1 | Confident | 76.8 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.018 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 103.6 | 168.6 | -61 | -91 | 0 | 0 | 0 | 107 | L101 I155 K158 F159 M167 S239 F240 | L101-F233 HydrophobicContact CD2-CE1 4.32Å; L101-F233 HydrophobicContact CD2-CE2 4.22Å; L101-F233 HydrophobicContact CD2-CZ 3.92Å; I155-F233 HydrophobicContact CG2-CE1 4.44Å; K158-F233 HydrophobicContact CB-CE1 4.1Å; K158-F233 HydrophobicContact CD-CD1 3.59Å; K158-F233 HydrophobicContact CD-CE1 3.63Å; K158-F233 HydrophobicContact CD-CG 4.47Å; K158-F233 HydrophobicContact CG-CD1 4.47Å; K158-F233 HydrophobicContact CG-CE1 4.26Å; F159-F233 HydrophobicContact CE2-CE1 4.01Å; F159-F233 AromaticContact CE2-CZ 3.9Å; F159-F233 HydrophobicContact CE2-CZ 3.9Å; F159-F233 AromaticContact CZ-CZ 3.99Å; F159-F233 HydrophobicContact CZ-CZ 3.99Å; M167-F233 HydrophobicContact CE-CE1 3.99Å; M167-F233 HydrophobicContact CE-CE2 4.44Å; M167-F233 HydrophobicContact CE-CZ 3.61Å; M167-F233 HydrophobicContact SD-CE2 4.46Å; M167-F233 HydrophobicContact SD-CZ 4.03Å; F233-S239 WeakPolarHBondContact O-CA 3.5Å; F233-S239 WeakPolarHBondContact O-CB 3.28Å; F233-F240 HydrophobicContact CB-CD1 3.96Å; F233-F240 HydrophobicContact CB-CD2 4.13Å; F233-F240 HydrophobicContact CB-CE1 3.62Å; F233-F240 HydrophobicContact CB-CE2 3.84Å; F233-F240 HydrophobicContact CB-CG 4.22Å; F233-F240 HydrophobicContact CB-CZ 3.58Å; F233-F240 HydrophobicContact CD1-CE2 4.41Å; F233-F240 HydrophobicContact CD1-CZ 4.2Å; F233-F240 HydrophobicContact CD2-CD2 4.2Å; F233-F240 AromaticContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CZ 4.39Å; F233-F240 HydrophobicContact CG-CD2 4.35Å; F233-F240 HydrophobicContact CG-CE1 4.38Å; F233-F240 AromaticContact CG-CE2 3.81Å; F233-F240 HydrophobicContact CG-CE2 3.81Å; F233-F240 AromaticContact CG-CZ 3.83Å; F233-F240 HydrophobicContact CG-CZ 3.83Å; F233-F240 PolarHBondContact O-N 3.4Å; F233-F240 VanDerWaalsContact O-N 3.11Å |
| 234 | S | 79.8 | Confident | 76.8 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116.6 | 174.4 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | Y154 V232 | Y154-S234 WeakPolarHBondContact CE1-O 3.44Å; Y154-S234 PolarHBondContact OH-O 3.16Å; Y154-S234 VanDerWaalsContact OH-O 3.08Å; V232-S234 PolarHBondContact O-N 3.47Å |
| 235 | I | 78.3 | Confident | 77 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 8% | 0.077 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 105 | 175.3 | -52.6 | -177.7 | 0 | 0 | 0 | 107.3 | M81 V85 V99 Y154 I155 D238 F240 | M81-I235 HydrophobicContact CE-CB 3.77Å; M81-I235 VanDerWaalsContact CE-O 3.3Å; M81-I235 WeakPolarHBondContact CE-O 3.16Å; V85-I235 HydrophobicContact CB-CG2 4.25Å; V85-I235 HydrophobicContact CG1-CG2 3.43Å; V85-I235 VanDerWaalsContact CG1-CG2 3.43Å; V99-I235 HydrophobicContact CG1-CD1 4.23Å; Y154-I235 HydrophobicContact CD1-CD1 4.16Å; Y154-I235 HydrophobicContact CD1-CG1 3.91Å; Y154-I235 HydrophobicContact CE1-CD1 4.48Å; Y154-I235 HydrophobicContact CE1-CG1 3.84Å; I155-I235 HydrophobicContact CD1-CD1 4.11Å; I155-I235 HydrophobicContact CG1-CD1 4.23Å; I235-D238 PolarHBondContact N-O 2.96Å; I235-F240 HydrophobicContact CD1-CE1 3.78Å; I235-F240 HydrophobicContact CD1-CZ 4.5Å; I235-F240 HydrophobicContact CG1-CE1 4.26Å |
| 236 | G | 73.9 | Confident | 77.4 | Confident | 64 Ų | 64 | 80.9 Ų | 80.9 | 66% | 0.66 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -131.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 237 | E | 72 | Confident | 78.1 | Confident | 201 Ų | 201 | 76.3 Ų | 76.3 | 94% | 0.939 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -18.5 | 180 | -64.6 | -172.4 | 167.8 | 0 | 0 | 113.4 | ||
| 238 | D | 73.8 | Confident | 79 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 46% | 0.455 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 154.5 | -176.6 | -62.7 | -40.9 | 0 | 0 | 0 | 112.1 | M81 T83 I235 | M81-D238 HydrophobicContact CE-CB 3.66Å; M81-D238 HydrophobicContact CG-CB 4.38Å; M81-D238 HydrophobicContact SD-CB 3.36Å; M81-D238 WeakPolarHBondContact SD-CB 3.27Å; T83-D238 HydrophobicContact CG2-CB 3.66Å; T83-D238 WeakPolarHBondContact CG2-OD2 3.5Å; I235-D238 PolarHBondContact N-O 2.96Å |
| 239 | S | 79 | Confident | 80.4 | Confident | 74 Ų | 74 | 76.2 Ų | 76.2 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.5 | 174.2 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | F233 | F233-S239 WeakPolarHBondContact O-CA 3.5Å; F233-S239 WeakPolarHBondContact O-CB 3.28Å |
| 240 | F | 79.2 | Confident | 82.1 | Confident | 12 Ų | 12 | 74.5 Ų | 74.5 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 150.1 | 177.9 | 68.1 | -95.2 | 0 | 0 | 0 | 112.1 | A79 M81 L101 I155 F233 I235 | A79-F240 HydrophobicContact CB-CD2 3.29Å; A79-F240 HydrophobicContact CB-CE2 3.75Å; A79-F240 HydrophobicContact CB-CG 4.27Å; M81-F240 HydrophobicContact CB-CB 4.21Å; M81-F240 HydrophobicContact CB-CD1 4.06Å; M81-F240 HydrophobicContact CB-CG 4.39Å; M81-F240 HydrophobicContact CE-CD1 4.15Å; M81-F240 HydrophobicContact SD-CB 4.15Å; M81-F240 HydrophobicContact SD-CD1 3.79Å; M81-F240 HydrophobicContact SD-CG 4.45Å; L101-F240 HydrophobicContact CB-CE2 4.06Å; L101-F240 HydrophobicContact CD2-CE2 4.21Å; I155-F240 HydrophobicContact CD1-CZ 3.95Å; I155-F240 HydrophobicContact CG1-CZ 4.35Å; F233-F240 HydrophobicContact CB-CD1 3.96Å; F233-F240 HydrophobicContact CB-CD2 4.13Å; F233-F240 HydrophobicContact CB-CE1 3.62Å; F233-F240 HydrophobicContact CB-CE2 3.84Å; F233-F240 HydrophobicContact CB-CG 4.22Å; F233-F240 HydrophobicContact CB-CZ 3.58Å; F233-F240 HydrophobicContact CD1-CE2 4.41Å; F233-F240 HydrophobicContact CD1-CZ 4.2Å; F233-F240 HydrophobicContact CD2-CD2 4.2Å; F233-F240 AromaticContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CE2 3.9Å; F233-F240 HydrophobicContact CD2-CZ 4.39Å; F233-F240 HydrophobicContact CG-CD2 4.35Å; F233-F240 HydrophobicContact CG-CE1 4.38Å; F233-F240 AromaticContact CG-CE2 3.81Å; F233-F240 HydrophobicContact CG-CE2 3.81Å; F233-F240 AromaticContact CG-CZ 3.83Å; F233-F240 HydrophobicContact CG-CZ 3.83Å; F233-F240 PolarHBondContact O-N 3.4Å; F233-F240 VanDerWaalsContact O-N 3.11Å; I235-F240 HydrophobicContact CD1-CE1 3.78Å; I235-F240 HydrophobicContact CD1-CZ 4.5Å; I235-F240 HydrophobicContact CG1-CE1 4.26Å |
| 241 | V | 80.8 | Confident | 83.6 | Confident | 95 Ų | 95 | 63.6 Ų | 63.6 | 58% | 0.576 | 34% | 0.343 | S | S | * | . | trans | -122.5 | 148 | 179.7 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | A79 | A79-V241 WeakPolarHBondContact CB-O 3.28Š| ||
| 242 | T | 82.6 | Confident | 84.6 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | trans | -74.2 | 126.7 | 178.1 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | A79 L101 V103 Y171 | A79-T242 HydrophobicContact CB-CG2 4.36Å; L101-T242 HydrophobicContact CD2-CG2 3.99Å; V103-T242 HydrophobicContact CG2-CG2 4.49Å; Y171-T242 PolarHBondContact OH-OG1 3.32Å | ||
| 243 | E | 87.8 | Confident | 85.5 | Confident | 139 Ų | 139 | 64.7 Ų | 64.7 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 159.9 | 174.4 | -63.6 | -169.1 | 170.4 | 0 | 0 | 110.9 | A77 E78 S245 | A77-E243 CarbonylContact C-O 3.46Å; A77-E243 WeakPolarHBondContact CA-O 3.44Å; A77-E243 WeakPolarHBondContact CB-O 3.06Å; E78-E243 PolarHBondContact N-O 3.17Å; E78-E243 PolarHBondContact O-N 2.85Å; E243-S245 PolarHBondContact O-N 3.46Å |
| 244 | Y | 90.1 | Very high | 86.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 20% | 0.2 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.1 | 175.7 | -64.8 | -57.8 | 0 | 0 | 0 | 109.7 | F222 S223 K226 F248 | F222-Y244 HydrophobicContact CD1-CE1 4.28Å; F222-Y244 HydrophobicContact CE1-CD1 4.42Å; F222-Y244 HydrophobicContact CE1-CE1 4.39Å; S223-Y244 PolarHBondContact OG-OH 2.96Å; S223-Y244 VanDerWaalsContact OG-OH 3.06Å; K226-Y244 HydrophobicContact CD-CE2 4.01Å; K226-Y244 WeakPolarHBondContact CD-OH 3.47Å; K226-Y244 VanDerWaalsContact CE-CZ 3.49Å; Y244-F248 HydrophobicContact CD1-CD1 4.19Å; Y244-F248 AromaticContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CE1 4.41Å; Y244-F248 HydrophobicContact CD1-CE2 4.22Å; Y244-F248 AromaticContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CZ 4.42Å; Y244-F248 HydrophobicContact CD2-CD1 4.42Å; Y244-F248 HydrophobicContact CD2-CE1 4.31Å; Y244-F248 HydrophobicContact CE1-CD2 4.35Å; Y244-F248 HydrophobicContact CE1-CE2 4.16Å; Y244-F248 HydrophobicContact CE1-CZ 4.33Å; Y244-F248 AromaticContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CE1 4.23Å; Y244-F248 HydrophobicContact CG-CG 4.14Å |
| 245 | S | 90.3 | Very high | 87 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | trans | -88.5 | 177.3 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 111.4 | S75 W76 E78 E243 S247 F248 W249 | S75-S245 VanDerWaalsContact O-CB 3.29Å; S75-S245 WeakPolarHBondContact O-CB 3.48Å; S75-S245 PolarHBondContact O-OG 2.99Å; W76-S245 PolarHBondContact O-N 3.49Å; E78-S245 PolarHBondContact OE2-OG 3.27Å; E243-S245 PolarHBondContact O-N 3.46Å; S245-S247 PolarHBondContact O-N 3.42Å; S245-F248 WeakPolarHBondContact O-CB 3.49Å; S245-F248 PolarHBondContact O-N 3.49Å; S245-F248 VanDerWaalsContact O-N 3.09Å; S245-W249 VanDerWaalsContact O-CD1 3.29Å | ||
| 246 | H | 90.9 | Very high | 87.9 | Confident | 155 Ų | 155 | 63.9 Ų | 63.9 | 72% | 0.718 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.9 | -31.5 | -176.7 | -64.8 | -73.4 | 0 | 0 | 0 | 113.6 | F248 W249 L250 | H246-F248 VanDerWaalsContact C-N 3.31Å; H246-F248 PolarHBondContact O-N 3.24Å; H246-W249 PolarHBondContact O-N 2.84Å; H246-L250 WeakPolarHBondContact O-CB 3.41Å; H246-L250 PolarHBondContact O-N 3.38Å |
| 247 | S | 91.4 | Very high | 88.9 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 10% | 0.098 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | L70 T73 S75 S245 L250 A251 | L70-S247 WeakPolarHBondContact CD2-O 3.26Å; T73-S247 PolarHBondContact OG1-OG 3.26Å; S75-S247 WeakPolarHBondContact O-CB 3.12Å; S75-S247 PolarHBondContact O-OG 3Å; S75-S247 VanDerWaalsContact O-OG 3.1Å; S75-S247 PolarHBondContact OG-OG 2.94Å; S245-S247 PolarHBondContact O-N 3.42Å; S247-L250 PolarHBondContact O-N 3.33Å; S247-A251 PolarHBondContact O-N 2.84Å |
| 248 | F | 92 | Very high | 90 | Very high | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.096 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.8 | -175.9 | -92.1 | 0 | 0 | 0 | 111.3 | W76 M219 F222 Y244 S245 H246 L250 A251 L252 | W76-F248 HydrophobicContact CE3-CD2 4.17Å; W76-F248 HydrophobicContact CZ3-CD2 4.28Å; M219-F248 HydrophobicContact CB-CE2 3.96Å; M219-F248 HydrophobicContact CB-CZ 4.24Å; M219-F248 HydrophobicContact CG-CE2 4.19Å; F222-F248 HydrophobicContact CD1-CD2 4.23Å; F222-F248 HydrophobicContact CD1-CE2 4.45Å; Y244-F248 HydrophobicContact CD1-CD1 4.19Å; Y244-F248 AromaticContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CD2 4Å; Y244-F248 HydrophobicContact CD1-CE1 4.41Å; Y244-F248 HydrophobicContact CD1-CE2 4.22Å; Y244-F248 AromaticContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CG 3.98Å; Y244-F248 HydrophobicContact CD1-CZ 4.42Å; Y244-F248 HydrophobicContact CD2-CD1 4.42Å; Y244-F248 HydrophobicContact CD2-CE1 4.31Å; Y244-F248 HydrophobicContact CE1-CD2 4.35Å; Y244-F248 HydrophobicContact CE1-CE2 4.16Å; Y244-F248 HydrophobicContact CE1-CZ 4.33Å; Y244-F248 AromaticContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CD1 3.96Å; Y244-F248 HydrophobicContact CG-CE1 4.23Å; Y244-F248 HydrophobicContact CG-CG 4.14Å; S245-F248 WeakPolarHBondContact O-CB 3.49Å; S245-F248 PolarHBondContact O-N 3.49Å; S245-F248 VanDerWaalsContact O-N 3.09Å; H246-F248 VanDerWaalsContact C-N 3.31Å; H246-F248 PolarHBondContact O-N 3.24Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3Å; F248-A251 WeakPolarHBondContact O-CB 3.47Å; F248-A251 PolarHBondContact O-N 2.8Å; F248-L252 PolarHBondContact O-N 2.86Å |
| 249 | W | 93.9 | Very high | 91 | Very high | 145 Ų | 145 | 52.5 Ų | 52.5 | 55% | 0.549 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 176.3 | -63 | 107.7 | 0 | 0 | 0 | 112.7 | S245 H246 L252 A253 | S245-W249 VanDerWaalsContact O-CD1 3.29Å; H246-W249 PolarHBondContact O-N 2.84Å; W249-L252 HydrophobicContact CE3-CD2 3.93Å; W249-L252 HydrophobicContact CZ3-CD2 3.97Å; W249-L252 PolarHBondContact O-N 3.47Å; W249-A253 WeakPolarHBondContact O-CB 3.25Å; W249-A253 PolarHBondContact O-N 2.92Å |
| 250 | L | 94.1 | Very high | 91.8 | Very high | 72 Ų | 72 | 54 Ų | 54 | 38% | 0.377 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 173.9 | -176.5 | 64.8 | 0 | 0 | 0 | 111.7 | V66 L70 H246 S247 F248 L252 A253 T254 | V66-L250 HydrophobicContact CG1-CD1 4.42Å; V66-L250 HydrophobicContact CG1-CD2 3.95Å; V66-L250 HydrophobicContact CG1-CG 3.82Å; L70-L250 HydrophobicContact CD2-CB 4.48Å; L70-L250 HydrophobicContact CD2-CD2 4.44Å; H246-L250 WeakPolarHBondContact O-CB 3.41Å; H246-L250 PolarHBondContact O-N 3.38Å; S247-L250 PolarHBondContact O-N 3.33Å; F248-L250 VanDerWaalsContact C-N 3.33Å; F248-L250 PolarHBondContact O-N 3Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L250-A253 PolarHBondContact O-N 3.44Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3.41Å |
| 251 | A | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L70 W76 I215 M219 S247 F248 T254 G255 | L70-A251 HydrophobicContact CD1-CB 3.59Å; L70-A251 HydrophobicContact CD2-CB 4.17Å; W76-A251 HydrophobicContact CH2-CB 4.43Å; I215-A251 WeakPolarHBondContact CG2-O 3.4Å; M219-A251 HydrophobicContact CG-CB 4.07Å; M219-A251 HydrophobicContact SD-CB 3.88Å; S247-A251 PolarHBondContact O-N 2.84Å; F248-A251 WeakPolarHBondContact O-CB 3.47Å; F248-A251 PolarHBondContact O-N 2.8Å; A251-T254 PolarHBondContact O-N 3.2Å; A251-G255 PolarHBondContact O-N 2.98Å |
| 252 | L | 95.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 177.5 | -177.2 | 65.5 | 0 | 0 | 0 | 111.8 | F216 M219 F248 W249 L250 T254 G255 V256 | F216-L252 HydrophobicContact CE1-CD1 3.99Å; M219-L252 HydrophobicContact CE-CB 4.39Å; M219-L252 HydrophobicContact CE-CD1 3.83Å; M219-L252 WeakPolarHBondContact SD-CA 3.33Å; M219-L252 HydrophobicContact SD-CB 3.78Å; M219-L252 HydrophobicContact SD-CD1 4.16Å; M219-L252 PolarHBondContact SD-N 3.48Å; M219-L252 VanDerWaalsContact SD-N 3.35Å; F248-L252 PolarHBondContact O-N 2.86Å; W249-L252 HydrophobicContact CE3-CD2 3.93Å; W249-L252 HydrophobicContact CZ3-CD2 3.97Å; W249-L252 PolarHBondContact O-N 3.47Å; L250-L252 VanDerWaalsContact C-N 3.34Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.1Å; L252-G255 PolarHBondContact O-N 3.48Å; L252-V256 WeakPolarHBondContact O-CG2 3.22Å; L252-V256 PolarHBondContact O-N 3.49Å |
| 253 | A | 95.9 | Very high | 93.4 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | W249 L250 L257 | W249-A253 WeakPolarHBondContact O-CB 3.25Å; W249-A253 PolarHBondContact O-N 2.92Å; L250-A253 PolarHBondContact O-N 3.44Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 2.88Å |
| 254 | T | 95 | Very high | 93.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -41 | 179.6 | -51.4 | 0 | 0 | 0 | 0 | 111.8 | I63 V66 I215 L250 A251 L252 L257 C258 | I63-T254 HydrophobicContact CG1-CG2 4.34Å; I63-T254 HydrophobicContact CG2-CG2 4.26Å; V66-T254 HydrophobicContact CB-CG2 4.43Å; V66-T254 HydrophobicContact CG1-CG2 4.18Å; V66-T254 VanDerWaalsContact CG1-OG1 3.31Å; V66-T254 WeakPolarHBondContact CG1-OG1 3.46Å; I215-T254 HydrophobicContact CD1-CG2 4.48Å; L250-T254 WeakPolarHBondContact O-CB 3.4Å; L250-T254 PolarHBondContact O-N 2.99Å; L250-T254 PolarHBondContact O-OG1 3.41Å; A251-T254 PolarHBondContact O-N 3.2Å; L252-T254 VanDerWaalsContact C-N 3.29Å; L252-T254 PolarHBondContact O-N 3.1Å; T254-L257 PolarHBondContact O-N 2.87Å; T254-C258 PolarHBondContact O-N 3.38Å; T254-C258 PolarHBondContact O-SG 3.46Å; T254-C258 VanDerWaalsContact O-SG 3.32Å |
| 255 | G | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A251 L252 L257 C258 T259 | A251-G255 PolarHBondContact O-N 2.98Å; L252-G255 PolarHBondContact O-N 3.48Å; G255-L257 PolarHBondContact O-N 2.87Å; G255-C258 PolarHBondContact O-N 3.21Å; G255-T259 PolarHBondContact O-N 2.93Å; G255-T259 PolarHBondContact O-OG1 3.18Å; G255-T259 VanDerWaalsContact O-OG1 3.11Å |
| 256 | V | 96.6 | Very high | 93.4 | Very high | 65 Ų | 65 | 54.6 Ų | 54.6 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62 | -44 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 111.5 | F216 L252 C258 T259 I260 | F216-V256 HydrophobicContact CE1-CG2 4.47Å; F216-V256 HydrophobicContact CZ-CG2 4.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.22Å; L252-V256 PolarHBondContact O-N 3.49Å; V256-C258 VanDerWaalsContact C-N 3.35Å; V256-C258 PolarHBondContact O-N 3.22Å; V256-T259 PolarHBondContact O-N 3.11Å; V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.3Å |
| 257 | L | 95.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.304 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 176.1 | -178.3 | 67.9 | 0 | 0 | 0 | 111.4 | I59 I63 A253 T254 G255 T259 I260 I261 | I59-L257 HydrophobicContact CG2-CD2 4.44Å; I63-L257 HydrophobicContact CD1-CD2 4.4Å; I63-L257 HydrophobicContact CG1-CD2 4.25Å; A253-L257 WeakPolarHBondContact O-CB 3.33Å; A253-L257 PolarHBondContact O-N 2.88Å; T254-L257 PolarHBondContact O-N 2.87Å; G255-L257 PolarHBondContact O-N 2.87Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 2.81Å; L257-I260 PolarHBondContact O-N 2.8Å; L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 3.91Å; L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.36Å |
| 258 | C | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 176.6 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | T208 A212 T254 G255 V256 I261 G262 | T208-C258 HydrophobicContact CG2-CB 4.45Å; A212-C258 HydrophobicContact CB-CB 3.68Å; T254-C258 PolarHBondContact O-N 3.38Å; T254-C258 PolarHBondContact O-SG 3.46Å; T254-C258 VanDerWaalsContact O-SG 3.32Å; G255-C258 PolarHBondContact O-N 3.21Å; V256-C258 VanDerWaalsContact C-N 3.35Å; V256-C258 PolarHBondContact O-N 3.22Å; C258-I261 PolarHBondContact O-N 2.93Å; C258-G262 PolarHBondContact O-N 3.48Å |
| 259 | T | 95.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 55.7 Ų | 55.7 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | A212 F216 G255 V256 L257 G262 F263 | A212-T259 WeakPolarHBondContact CB-OG1 3.41Å; F216-T259 WeakPolarHBondContact CE2-OG1 3.31Å; G255-T259 PolarHBondContact O-N 2.93Å; G255-T259 PolarHBondContact O-OG1 3.18Å; G255-T259 VanDerWaalsContact O-OG1 3.11Å; V256-T259 PolarHBondContact O-N 3.11Å; L257-T259 VanDerWaalsContact C-N 3.35Å; L257-T259 PolarHBondContact O-N 2.81Å; T259-G262 PolarHBondContact O-N 2.73Å; T259-F263 VanDerWaalsContact O-CB 3.22Å; T259-F263 WeakPolarHBondContact O-CB 3.21Å; T259-F263 PolarHBondContact O-N 3.42Å |
| 260 | I | 95.3 | Very high | 91.9 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 53% | 0.533 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 178.5 | -68 | 167.8 | 0 | 0 | 0 | 110.2 | V256 L257 F264 | V256-I260 HydrophobicContact CG1-CD1 3.79Å; V256-I260 HydrophobicContact CG1-CG1 4.37Å; V256-I260 WeakPolarHBondContact O-CG1 3.42Å; V256-I260 PolarHBondContact O-N 3.3Å; L257-I260 PolarHBondContact O-N 2.8Å; I260-F264 VanDerWaalsContact O-CB 3.25Å; I260-F264 WeakPolarHBondContact O-CB 3.28Å; I260-F264 PolarHBondContact O-N 3.23Å |
| 261 | I | 92.5 | Very high | 91.3 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 178.6 | -66.1 | 166 | 0 | 0 | 0 | 110.6 | I59 I63 T208 L257 C258 F263 F264 V265 | I59-I261 HydrophobicContact CG2-CD1 3.67Å; I63-I261 HydrophobicContact CD1-CD1 4.11Å; T208-I261 HydrophobicContact CG2-CG2 4.3Å; L257-I261 HydrophobicContact CD1-CD1 4.16Å; L257-I261 HydrophobicContact CG-CD1 3.91Å; L257-I261 VanDerWaalsContact O-CG1 3.28Å; L257-I261 WeakPolarHBondContact O-CG1 3.23Å; L257-I261 PolarHBondContact O-N 3.36Å; C258-I261 PolarHBondContact O-N 2.93Å; I261-F263 PolarHBondContact O-N 2.87Å; I261-F264 PolarHBondContact O-N 3.47Å; I261-V265 VanDerWaalsContact O-CG2 3.31Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.44Å |
| 262 | G | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C258 T259 F264 V265 V266 | C258-G262 PolarHBondContact O-N 3.48Å; T259-G262 PolarHBondContact O-N 2.73Å; G262-F264 PolarHBondContact O-N 3.04Å; G262-V265 PolarHBondContact O-N 3.35Å; G262-V266 WeakPolarHBondContact O-CG2 3.36Å; G262-V266 PolarHBondContact O-N 2.92Å; G262-V266 VanDerWaalsContact O-N 3.08Å |
| 263 | F | 92.8 | Very high | 88.9 | Confident | 133 Ų | 133 | 60.9 Ų | 60.9 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 176.2 | 179.5 | -99.1 | 0 | 0 | 0 | 111.9 | T259 I261 V265 V266 M267 | T259-F263 VanDerWaalsContact O-CB 3.22Å; T259-F263 WeakPolarHBondContact O-CB 3.21Å; T259-F263 PolarHBondContact O-N 3.42Å; I261-F263 PolarHBondContact O-N 2.87Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3Å; F263-V266 PolarHBondContact O-N 3.17Å; F263-M267 HydrophobicContact CE1-CB 4.41Å; F263-M267 WeakPolarHBondContact O-CB 3.46Å; F263-M267 PolarHBondContact O-N 3.42Å |
| 264 | F | 90.9 | Very high | 87.4 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 178.8 | -175.8 | -105.5 | 0 | 0 | 0 | 112.1 | I260 I261 G262 M267 L268 | I260-F264 VanDerWaalsContact O-CB 3.25Å; I260-F264 WeakPolarHBondContact O-CB 3.28Å; I260-F264 PolarHBondContact O-N 3.23Å; I261-F264 PolarHBondContact O-N 3.47Å; G262-F264 PolarHBondContact O-N 3.04Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-L268 HydrophobicContact CD1-CD1 3.76Å; F264-L268 HydrophobicContact CD1-CG 4.3Å; F264-L268 HydrophobicContact CE1-CD1 3.25Å; F264-L268 HydrophobicContact CE1-CG 4Å; F264-L268 HydrophobicContact CE2-CD1 4.38Å; F264-L268 HydrophobicContact CE2-CD2 4.46Å; F264-L268 HydrophobicContact CE2-CG 4.29Å; F264-L268 HydrophobicContact CZ-CD1 3.61Å; F264-L268 HydrophobicContact CZ-CD2 4.19Å; F264-L268 HydrophobicContact CZ-CG 3.98Å; F264-L268 WeakPolarHBondContact O-CB 3.49Å; F264-L268 WeakPolarHBondContact O-CG 3.48Å; F264-L268 PolarHBondContact O-N 3.2Å |
| 265 | V | 88.7 | Confident | 85.8 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 13% | 0.127 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.4 | F196 I201 I261 G262 F263 Y269 | F196-V265 HydrophobicContact CE1-CG1 4.43Å; F196-V265 HydrophobicContact CE1-CG2 4.19Å; F196-V265 HydrophobicContact CZ-CG2 4.25Å; I201-V265 HydrophobicContact CG2-CG1 3.68Å; I261-V265 VanDerWaalsContact O-CG2 3.31Å; I261-V265 WeakPolarHBondContact O-CG2 3.35Å; I261-V265 PolarHBondContact O-N 3.44Å; G262-V265 PolarHBondContact O-N 3.35Å; F263-V265 VanDerWaalsContact C-N 3.34Å; F263-V265 PolarHBondContact O-N 3Å; V265-Y269 PolarHBondContact O-N 3.12Å; V265-Y269 VanDerWaalsContact O-N 3.11Å |
| 266 | V | 88.5 | Confident | 84.2 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 11% | 0.109 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | Y206 M209 G262 F263 Y269 F270 | Y206-V266 HydrophobicContact CD1-CG2 4.23Å; Y206-V266 HydrophobicContact CE1-CG2 4.11Å; M209-V266 HydrophobicContact SD-CG2 4.25Å; G262-V266 WeakPolarHBondContact O-CG2 3.36Å; G262-V266 PolarHBondContact O-N 2.92Å; G262-V266 VanDerWaalsContact O-N 3.08Å; F263-V266 PolarHBondContact O-N 3.17Å; V266-Y269 WeakPolarHBondContact O-CB 3.14Å; V266-Y269 PolarHBondContact O-N 2.91Å; V266-F270 HydrophobicContact CG1-CD2 3.87Å; V266-F270 HydrophobicContact CG1-CE2 3.57Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; V266-F270 PolarHBondContact O-N 3.42Å |
| 267 | M | 88 | Confident | 82.5 | Confident | 81 Ų | 81 | 76.2 Ų | 76.2 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 179.1 | -175.1 | -100.2 | -170.1 | 0 | 0 | 112 | F263 F264 Y269 F270 L271 | F263-M267 HydrophobicContact CE1-CB 4.41Å; F263-M267 WeakPolarHBondContact O-CB 3.46Å; F263-M267 PolarHBondContact O-N 3.42Å; F264-M267 PolarHBondContact O-N 2.85Å; M267-Y269 VanDerWaalsContact C-N 3.3Å; M267-Y269 PolarHBondContact O-N 3.22Å; M267-F270 PolarHBondContact O-N 3Å; M267-L271 HydrophobicContact CE-CD1 3.09Å; M267-L271 HydrophobicContact CG-CD1 3.86Å; M267-L271 WeakPolarHBondContact O-CD1 3.38Å; M267-L271 PolarHBondContact O-N 2.84Å; M267-L271 VanDerWaalsContact O-N 3.09Å; M267-L271 HydrophobicContact SD-CD1 3.24Å; M267-L271 WeakPolarHBondContact SD-CD1 3.44Å |
| 268 | L | 84.3 | Confident | 80.8 | Confident | 52 Ų | 52 | 75.6 Ų | 75.6 | 27% | 0.272 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 174.2 | -77.6 | -178.8 | 0 | 0 | 0 | 112.7 | F264 F270 L271 M272 V276 | F264-L268 HydrophobicContact CD1-CD1 3.76Å; F264-L268 HydrophobicContact CD1-CG 4.3Å; F264-L268 HydrophobicContact CE1-CD1 3.25Å; F264-L268 HydrophobicContact CE1-CG 4Å; F264-L268 HydrophobicContact CE2-CD1 4.38Å; F264-L268 HydrophobicContact CE2-CD2 4.46Å; F264-L268 HydrophobicContact CE2-CG 4.29Å; F264-L268 HydrophobicContact CZ-CD1 3.61Å; F264-L268 HydrophobicContact CZ-CD2 4.19Å; F264-L268 HydrophobicContact CZ-CG 3.98Å; F264-L268 WeakPolarHBondContact O-CB 3.49Å; F264-L268 WeakPolarHBondContact O-CG 3.48Å; F264-L268 PolarHBondContact O-N 3.2Å; L268-F270 VanDerWaalsContact C-N 3.35Å; L268-L271 PolarHBondContact O-N 3.5Å; L268-M272 PolarHBondContact O-N 3.3Å; L268-V276 HydrophobicContact CB-CG2 4.16Å |
| 269 | Y | 84 | Confident | 79.2 | Confident | 80 Ų | 80 | 78.8 Ų | 78.8 | 31% | 0.314 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.6 | -42.6 | 175.8 | 176.6 | -104 | 0 | 0 | 0 | 112.1 | V202 V265 V266 M267 P273 | V202-Y269 HydrophobicContact CG1-CD1 4.32Å; V202-Y269 HydrophobicContact CG1-CE1 4.38Å; V202-Y269 HydrophobicContact CG2-CD1 3.64Å; V202-Y269 HydrophobicContact CG2-CD2 3.24Å; V202-Y269 HydrophobicContact CG2-CE1 3.62Å; V202-Y269 HydrophobicContact CG2-CE2 3.21Å; V202-Y269 HydrophobicContact CG2-CG 3.45Å; V202-Y269 VanDerWaalsContact CG2-CG 3.45Å; V265-Y269 PolarHBondContact O-N 3.12Å; V265-Y269 VanDerWaalsContact O-N 3.11Å; V266-Y269 WeakPolarHBondContact O-CB 3.14Å; V266-Y269 PolarHBondContact O-N 2.91Å; M267-Y269 VanDerWaalsContact C-N 3.3Å; M267-Y269 PolarHBondContact O-N 3.22Å; Y269-P273 WeakPolarHBondContact O-CD 3.24Å |
| 270 | F | 81.2 | Confident | 77.5 | Confident | 144 Ų | 144 | 79.4 Ų | 79.4 | 63% | 0.632 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.2 | -33.6 | 178.3 | -78 | -66.8 | 0 | 0 | 0 | 113.5 | V266 M267 L268 | V266-F270 HydrophobicContact CG1-CD2 3.87Å; V266-F270 HydrophobicContact CG1-CE2 3.57Å; V266-F270 WeakPolarHBondContact O-CD2 3.31Å; V266-F270 PolarHBondContact O-N 3.42Å; M267-F270 PolarHBondContact O-N 3Å; L268-F270 VanDerWaalsContact C-N 3.35Å |
| 271 | L | 81.3 | Confident | 75.6 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 56% | 0.56 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -83.6 | -36.1 | -176.2 | -77.7 | 154.9 | 0 | 0 | 0 | 114.1 | M267 L268 | M267-L271 HydrophobicContact CE-CD1 3.09Å; M267-L271 HydrophobicContact CG-CD1 3.86Å; M267-L271 WeakPolarHBondContact O-CD1 3.38Å; M267-L271 PolarHBondContact O-N 2.84Å; M267-L271 VanDerWaalsContact O-N 3.09Å; M267-L271 HydrophobicContact SD-CD1 3.24Å; M267-L271 WeakPolarHBondContact SD-CD1 3.44Å; L268-L271 PolarHBondContact O-N 3.5Å |
| 272 | M | 68.4 | Low | 73.5 | Confident | 81 Ų | 81 | 80.4 Ų | 80.4 | 40% | 0.399 | 41% | 0.406 | S | S | . | . | trans | -144.1 | 66.8 | -175.9 | -62.8 | -165.5 | -60.7 | 0 | 0 | 112 | L268 E274 K275 V276 | L268-M272 PolarHBondContact O-N 3.3Å; M272-E274 VanDerWaalsContact C-N 3.27Å; M272-E274 PolarHBondContact O-N 3.44Å; M272-K275 HydrophobicContact CB-CB 4.14Å; M272-K275 HydrophobicContact CE-CD 4.48Å; M272-K275 PolarHBondContact O-N 2.88Å; M272-K275 HydrophobicContact SD-CD 3.78Å; M272-K275 HydrophobicContact SD-CG 4.41Å; M272-V276 WeakPolarHBondContact O-CB 3.33Å; M272-V276 VanDerWaalsContact O-CG2 3.29Å; M272-V276 WeakPolarHBondContact O-CG2 3.41Å; M272-V276 PolarHBondContact O-N 3.24Å | ||
| 273 | P | 70.8 | Confident | 71.5 | Confident | 55 Ų | 55 | 83 Ų | 83 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | -177.4 | 23.7 | -33.4 | 0 | 0 | 0 | 112.3 | Y269 K277 | Y269-P273 WeakPolarHBondContact O-CD 3.24Å; P273-K277 WeakPolarHBondContact O-CB 3.28Å; P273-K277 WeakPolarHBondContact O-CG 3.45Å; P273-K277 PolarHBondContact O-N 3.32Å |
| 274 | E | 63.4 | Low | 69.2 | Low | 160 Ų | 160 | 83.4 Ų | 83.4 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 178.7 | -68.3 | -80.9 | 140.5 | 0 | 0 | 112.5 | M272 A278 | M272-E274 VanDerWaalsContact C-N 3.27Å; M272-E274 PolarHBondContact O-N 3.44Å; E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.19Å; E274-A278 PolarHBondContact O-N 3.5Å |
| 275 | K | 61.2 | Low | 66.9 | Low | 142 Ų | 142 | 80.7 Ų | 80.7 | 62% | 0.617 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -76.9 | -28.3 | -178.1 | -60 | -163.9 | -176 | 173.9 | 0 | 113.1 | M272 A279 | M272-K275 HydrophobicContact CB-CB 4.14Å; M272-K275 HydrophobicContact CE-CD 4.48Å; M272-K275 PolarHBondContact O-N 2.88Å; M272-K275 HydrophobicContact SD-CD 3.78Å; M272-K275 HydrophobicContact SD-CG 4.41Å; K275-A279 WeakPolarHBondContact O-CB 3.3Å; K275-A279 PolarHBondContact O-N 3.11Å |
| 276 | V | 64.1 | Low | 64.8 | Low | 19 Ų | 19 | 82.6 Ų | 82.6 | 12% | 0.115 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -72.6 | -44 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | I201 L268 M272 A279 F280 | I201-V276 HydrophobicContact CD1-CG1 3.72Å; L268-V276 HydrophobicContact CB-CG2 4.16Å; M272-V276 WeakPolarHBondContact O-CB 3.33Å; M272-V276 VanDerWaalsContact O-CG2 3.29Å; M272-V276 WeakPolarHBondContact O-CG2 3.41Å; M272-V276 PolarHBondContact O-N 3.24Å; V276-A279 PolarHBondContact O-N 3.27Å; V276-F280 HydrophobicContact CG1-CD2 4.36Å; V276-F280 WeakPolarHBondContact O-CD2 3.29Å; V276-F280 PolarHBondContact O-N 3.01Å |
| 277 | K | 60.7 | Low | 62.9 | Low | 127 Ų | 127 | 89.5 Ų | 89.5 | 55% | 0.552 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.7 | -47.7 | 171.7 | -75.5 | -179.6 | -179.7 | -176 | 0 | 111 | P273 F280 S281 | P273-K277 WeakPolarHBondContact O-CB 3.28Å; P273-K277 WeakPolarHBondContact O-CG 3.45Å; P273-K277 PolarHBondContact O-N 3.32Å; K277-F280 PolarHBondContact O-N 3.08Å; K277-S281 VanDerWaalsContact O-CB 3.32Å; K277-S281 WeakPolarHBondContact O-CB 3.49Å; K277-S281 PolarHBondContact O-N 3.15Å; K277-S281 PolarHBondContact O-OG 3.21Å; K277-S281 VanDerWaalsContact O-OG 3.13Å |
| 278 | A | 59.1 | Low | 60.8 | Low | 45 Ų | 45 | 92.2 Ų | 92.2 | 37% | 0.372 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | E274 F280 S281 L282 | E274-A278 VanDerWaalsContact O-CB 3.3Å; E274-A278 WeakPolarHBondContact O-CB 3.19Å; E274-A278 PolarHBondContact O-N 3.5Å; A278-F280 PolarHBondContact O-N 3.37Å; A278-S281 WeakPolarHBondContact CA-OG 3.41Å; A278-S281 PolarHBondContact O-N 3.13Å; A278-S281 PolarHBondContact O-OG 3.15Å; A278-L282 VanDerWaalsContact O-CB 3.23Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 PolarHBondContact O-N 3.04Å |
| 279 | A | 60.8 | Low | 58.8 | Low | 68 Ų | 68 | 95.1 Ų | 95.1 | 56% | 0.562 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.1 | -23.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K275 V276 | K275-A279 WeakPolarHBondContact O-CB 3.3Å; K275-A279 PolarHBondContact O-N 3.11Å; V276-A279 PolarHBondContact O-N 3.27Å |
| 280 | F | 58.8 | Low | 56.8 | Low | 67 Ų | 67 | 96.6 Ų | 96.6 | 29% | 0.294 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -95.6 | -32 | 175.6 | -83.9 | -98.9 | 0 | 0 | 0 | 113 | I201 V276 K277 A278 R283 | I201-F280 HydrophobicContact CD1-CB 3.61Å; I201-F280 HydrophobicContact CD1-CD1 3.8Å; I201-F280 HydrophobicContact CD1-CD2 3.35Å; I201-F280 HydrophobicContact CD1-CE1 4.24Å; I201-F280 HydrophobicContact CD1-CE2 3.84Å; I201-F280 HydrophobicContact CD1-CG 3.31Å; I201-F280 HydrophobicContact CD1-CZ 4.26Å; I201-F280 HydrophobicContact CG1-CD1 4.06Å; I201-F280 HydrophobicContact CG1-CD2 4.34Å; I201-F280 HydrophobicContact CG1-CE1 4.26Å; I201-F280 HydrophobicContact CG1-CG 4.1Å; I201-F280 HydrophobicContact CG1-CZ 4.48Å; V276-F280 HydrophobicContact CG1-CD2 4.36Å; V276-F280 WeakPolarHBondContact O-CD2 3.29Å; V276-F280 PolarHBondContact O-N 3.01Å; K277-F280 PolarHBondContact O-N 3.08Å; A278-F280 PolarHBondContact O-N 3.37Å; F280-R283 WeakPolarHBondContact O-CB 3.43Å; F280-R283 PolarHBondContact O-N 3.3Å |
| 281 | S | 55.2 | Low | 54.8 | Low | 55 Ų | 55 | 97.3 Ų | 97.3 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 170.6 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | K277 A278 R283 F284 D285 | K277-S281 VanDerWaalsContact O-CB 3.32Å; K277-S281 WeakPolarHBondContact O-CB 3.49Å; K277-S281 PolarHBondContact O-N 3.15Å; K277-S281 PolarHBondContact O-OG 3.21Å; K277-S281 VanDerWaalsContact O-OG 3.13Å; A278-S281 WeakPolarHBondContact CA-OG 3.41Å; A278-S281 PolarHBondContact O-N 3.13Å; A278-S281 PolarHBondContact O-OG 3.15Å; S281-R283 PolarHBondContact O-N 3.32Å; S281-R283 VanDerWaalsContact O-N 3.11Å; S281-F284 CarbonylContact O-C 3.2Å; S281-F284 WeakPolarHBondContact O-CA 3.37Å; S281-F284 VanDerWaalsContact O-CB 3.28Å; S281-F284 WeakPolarHBondContact O-CB 3.48Å; S281-F284 PolarHBondContact O-N 3.47Å; S281-D285 PolarHBondContact O-N 3.45Å |
| 282 | L | 50.2 | Low | 52.8 | Low | 116 Ų | 116 | 100.6 Ų | 100.6 | 61% | 0.607 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63 | -20.8 | 174.3 | -132.4 | 142.6 | 0 | 0 | 0 | 112.7 | A278 F284 S286 | A278-L282 VanDerWaalsContact O-CB 3.23Å; A278-L282 WeakPolarHBondContact O-CB 3.32Å; A278-L282 PolarHBondContact O-N 3.04Å; L282-F284 VanDerWaalsContact C-N 3.35Å; L282-S286 WeakPolarHBondContact O-CB 3.42Å; L282-S286 PolarHBondContact O-N 3.4Å; L282-S286 PolarHBondContact O-OG 3.24Å; L282-S286 VanDerWaalsContact O-OG 3.05Å |
| 283 | R | 50 | Low | 51.4 | Low | 54 Ų | 54 | 104.1 Ų | 104.1 | 20% | 0.204 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -75.9 | -24.3 | 170.8 | 176.5 | 171.6 | -76.6 | 169.7 | -1.3 | 112.1 | F280 S281 S286 Y287 | F280-R283 WeakPolarHBondContact O-CB 3.43Å; F280-R283 PolarHBondContact O-N 3.3Å; S281-R283 PolarHBondContact O-N 3.32Å; S281-R283 VanDerWaalsContact O-N 3.11Å; R283-S286 PolarHBondContact O-OG 3.41Å; R283-Y287 VanDerWaalsContact O-CD2 3.23Å; R283-Y287 WeakPolarHBondContact O-CD2 3.49Å; R283-Y287 WeakPolarHBondContact O-CE2 3.33Å |
| 284 | F | 44.6 | Very low | 49.9 | Very low | 141 Ų | 141 | 111.1 Ų | 111.1 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -82.1 | -47.2 | 171.5 | -160.1 | -94.7 | 0 | 0 | 0 | 110 | S281 L282 S286 Y287 | S281-F284 CarbonylContact O-C 3.2Å; S281-F284 WeakPolarHBondContact O-CA 3.37Å; S281-F284 VanDerWaalsContact O-CB 3.28Å; S281-F284 WeakPolarHBondContact O-CB 3.48Å; S281-F284 PolarHBondContact O-N 3.47Å; L282-F284 VanDerWaalsContact C-N 3.35Å; F284-S286 PolarHBondContact O-N 3.09Å; F284-Y287 PolarHBondContact O-N 3.26Å |
| 285 | D | 41 | Very low | 48.3 | Very low | 62 Ų | 62 | 109.4 Ų | 109.4 | 33% | 0.332 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.2 | -28.2 | -178.1 | -55.4 | -23.1 | 0 | 0 | 0 | 112.8 | S281 Y287 E288 D289 | S281-D285 PolarHBondContact O-N 3.45Å; D285-Y287 PolarHBondContact O-N 3.01Å; D285-E288 PolarHBondContact O-N 2.95Å; D285-D289 WeakPolarHBondContact O-CB 3.49Å; D285-D289 PolarHBondContact O-N 3.26Å |
| 286 | S | 44.4 | Very low | 46.9 | Very low | 60 Ų | 60 | 108.6 Ų | 108.6 | 42% | 0.42 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.8 | -9 | 174 | 65 | 0 | 0 | 0 | 0 | 115 | L282 R283 F284 | L282-S286 WeakPolarHBondContact O-CB 3.42Å; L282-S286 PolarHBondContact O-N 3.4Å; L282-S286 PolarHBondContact O-OG 3.24Å; L282-S286 VanDerWaalsContact O-OG 3.05Å; R283-S286 PolarHBondContact O-OG 3.41Å; F284-S286 PolarHBondContact O-N 3.09Å |
| 287 | Y | 49 | Very low | 45.9 | Very low | 163 Ų | 163 | 112.7 Ų | 112.7 | 64% | 0.639 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -17.3 | 169.7 | -74.6 | -81.2 | 0 | 0 | 0 | 113 | R283 F284 D285 | R283-Y287 VanDerWaalsContact O-CD2 3.23Å; R283-Y287 WeakPolarHBondContact O-CD2 3.49Å; R283-Y287 WeakPolarHBondContact O-CE2 3.33Å; F284-Y287 PolarHBondContact O-N 3.26Å; D285-Y287 PolarHBondContact O-N 3.01Å |
| 288 | E | 43.9 | Very low | 44.6 | Very low | 138 Ų | 138 | 115.6 Ų | 115.6 | 65% | 0.645 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -22.2 | -179.5 | -64 | -167.2 | 160.6 | 0 | 0 | 112.8 | D285 | D285-E288 PolarHBondContact O-N 2.95Š|
| 289 | D | 43 | Very low | 43.3 | Very low | 114 Ų | 114 | 116.6 Ų | 116.6 | 61% | 0.61 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | 9.6 | -168.3 | -69.8 | -19.3 | 0 | 0 | 0 | 116.6 | D285 | D285-D289 WeakPolarHBondContact O-CB 3.49Å; D285-D289 PolarHBondContact O-N 3.26Å |
| 290 | E | 41.1 | Very low | 41.9 | Very low | 110 Ų | 110 | 124.4 Ų | 124.4 | 51% | 0.514 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.4 | 0.9 | 176.3 | -76.3 | -162.6 | -153.6 | 0 | 0 | 115.3 | R46 | R46-E290 VanDerWaalsContact CD-OE1 3.31Å; R46-E290 WeakPolarHBondContact CD-OE1 3.19Å; R46-E290 WeakPolarHBondContact CD-OE2 3.42Å; R46-E290 IonicContact CZ-OE2 3.92Å; R46-E290 IonicContact NE-OE2 3.01Å; R46-E290 PolarHBondContact NE-OE2 2.9Å; R46-E290 IonicContact NH1-OE2 2.6Å; R46-E290 PolarHBondContact NH1-OE2 3.06Å |
| 291 | D | 40.3 | Very low | 40.9 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 85% | 0.85 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -111 | -4.6 | 178.1 | -73.8 | -26.7 | 0 | 0 | 0 | 115.3 | ||
| 292 | E | 39.2 | Very low | 39.8 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | -124.8 | 63.6 | 178 | -76.2 | -164.4 | 162.4 | 0 | 0 | 113.3 | ||||
| 293 | D | 39.6 | Very low | 39.5 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 82% | 0.824 | 69% | 0.689 | S | S | * | * | trans | -145.8 | 79.3 | 157.7 | -98.9 | -27.3 | 0 | 0 | 0 | 111.5 | ||||
| 294 | K | 37.2 | Very low | 39.1 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 88% | 0.878 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -162.3 | 113.5 | 148 | -106 | 158.6 | -168.8 | 169.5 | 0 | 111.8 | ||
| 295 | S | 29.8 | Very low | 38.9 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 72% | 0.721 | S | S | * | * | trans | 86.2 | 110.7 | 161.9 | 75 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 296 | C | 33.1 | Very low | 38.9 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -59.4 | 174.5 | 159.6 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 297 | P | 42.4 | Very low | 38.7 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | cis | -144.1 | 177 | 18.1 | 39.4 | -17.2 | 0 | 0 | 0 | 117.6 | ||||
| 298 | E | 33.2 | Very low | 38 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | trans | 54.6 | 120 | 152 | -83.8 | 168.4 | 149.2 | 0 | 0 | 121.8 | ||||
| 299 | G | 32.1 | Very low | 37.6 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | 92 | 114.7 | 137.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 300 | Y | 32.3 | Very low | 36.9 | Very low | 232 Ų | 232 | 147.5 Ų | 147.5 | 91% | 0.91 | 80% | 0.795 | S | S | * | * | 171.3 | 86.5 | 112.6 | -91.2 | -72.7 | 0 | 0 | 0 | 108.4 | N302 | Y300-N302 PolarHBondContact O-N 3.18Š| |||
| 301 | L | 36.5 | Very low | 36.4 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -76.4 | 110.1 | 165.8 | -138.7 | 149.8 | 0 | 0 | 0 | 106.7 | S303 | L301-S303 PolarHBondContact O-N 3.07Å; L301-S303 VanDerWaalsContact O-N 3.07Å | ||
| 302 | N | 32.5 | Very low | 35.9 | Very low | 125 Ų | 125 | 150.8 Ų | 150.8 | 67% | 0.668 | 81% | 0.809 | S | S | * | * | trans | -73.4 | 100 | -171.8 | -141.8 | -12.6 | 0 | 0 | 0 | 109.6 | Y300 V304 | Y300-N302 PolarHBondContact O-N 3.18Å; N302-V304 PolarHBondContact O-N 2.99Å | ||
| 303 | S | 44.4 | Very low | 35.5 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 14.9 | -175.8 | 60.3 | 0 | 0 | 0 | 0 | 114.7 | L301 | L301-S303 PolarHBondContact O-N 3.07Å; L301-S303 VanDerWaalsContact O-N 3.07Å |
| 304 | V | 41.6 | Very low | 35.2 | Very low | 107 Ų | 107 | 149 Ų | 149 | 65% | 0.648 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -18 | -176 | 177.5 | 0 | 0 | 0 | 0 | 112.5 | N302 | N302-V304 PolarHBondContact O-N 2.99Š|
| 305 | F | 39.9 | Very low | 35.3 | Very low | 195 Ų | 195 | 144.9 Ų | 144.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 1.1 | -179.8 | -85.7 | -80.6 | 0 | 0 | 0 | 115.4 | ||
| 306 | L | 42 | Very low | 35.8 | Very low | 159 Ų | 159 | 144.5 Ų | 144.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -1.1 | 179.1 | -88.7 | 163.5 | 0 | 0 | 0 | 114.6 | ||
| 307 | N | 38.4 | Very low | 35.7 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -118.7 | 91.1 | 178.9 | -91.4 | -7.7 | 0 | 0 | 0 | 111.7 | ||
| 308 | G | 35.9 | Very low | 35.3 | Very low | 72 Ų | 72 | 148 Ų | 148 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | S | Bend | trans | 133.1 | 100.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 309 | E | 33.8 | Very low | 35.2 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | cis | -150.8 | 128.2 | 35.1 | -65.6 | 169.3 | 135.2 | 0 | 0 | 109.2 | ||||
| 310 | M | 29.8 | Very low | 35.8 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -151.5 | 79.1 | 145.3 | -156.7 | 176.2 | -167.4 | 0 | 0 | 108.3 | L312 | M310-L312 PolarHBondContact O-N 3.19Š| ||
| 311 | H | 29.4 | Very low | 35.9 | Very low | 193 Ų | 193 | 143.2 Ų | 143.2 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -72.9 | 100.4 | 162.2 | -88.5 | -70.3 | 0 | 0 | 0 | 108.4 | ||||
| 312 | L | 29.8 | Very low | 35.9 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -126.6 | 126.1 | 150.4 | -135.5 | 97.4 | 0 | 0 | 0 | 107.2 | M310 | M310-L312 PolarHBondContact O-N 3.19Š| ||
| 313 | P | 32 | Very low | 36.1 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 149.4 | -165.9 | 28.5 | -31.9 | 0 | 0 | 0 | 113.7 | ||
| 314 | L | 32.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 138.8 | -178.2 | -151.6 | 82.5 | 0 | 0 | 0 | 114.3 | ||
| 315 | T | 40.5 | Very low | 35.3 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 72% | 0.718 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 170.9 | 162.8 | 53.8 | 0 | 0 | 0 | 0 | 114 | ||
| 316 | P | 38.6 | Very low | 35.1 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 75% | 0.747 | 83% | 0.834 | S | S | * | * | -149.5 | 144.3 | 117.3 | 34 | -15.4 | 0 | 0 | 0 | 118.6 | |||||
| 317 | K | 31.5 | Very low | 34.6 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 82% | 0.817 | 83% | 0.834 | S | S | * | * | trans | 71 | 117.2 | 133.6 | -77.5 | -171.1 | 170.3 | 174.8 | 0 | 121.8 | ||||
| 318 | V | 33.5 | Very low | 34.4 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 72% | 0.715 | 83% | 0.834 | S | S | * | * | 86.9 | 127.6 | 98.1 | 173.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 319 | T | 31.6 | Very low | 34.3 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | cis | -167.2 | 173.5 | 39.5 | 3.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 320 | P | 45.5 | Very low | 34.3 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 84% | 0.836 | S | S | * | * | trans | -97.4 | -177.8 | -176.9 | 38.3 | -29.7 | 0 | 0 | 0 | 115.1 | ||||
| 321 | V | 35.1 | Very low | 34.7 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 87% | 0.873 | 83% | 0.832 | S | S | * | * | trans | 84.1 | 128.1 | 174.2 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 322 | S | 35.9 | Very low | 35.1 | Very low | 181 Ų | 181 | 140 Ų | 140 | 100% | 1.266 | 83% | 0.827 | S | S | * | * | cis | -146.1 | 0 | 22.9 | 51.5 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 322 of 322 residues in 157.4 ms
(Link to these results)