| 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 | 64.3 | Low | 80.2 | Confident | 244 Ų | 244 | 124.9 Ų | 124.9 | 100% | 1.202 | 65% | 0.648 | S | S | * | * | 0 | 94.8 | 0 | -64.1 | 173.6 | -177.4 | 0 | 0 | 105.9 | |||||
| 2 | E | 67.3 | Low | 80.2 | Confident | 175 Ų | 175 | 123.3 Ų | 123.3 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 134.1 | 177.6 | -65.8 | -173.4 | 96.1 | 0 | 0 | 109.1 | ||||
| 3 | S | 78.7 | Confident | 79.9 | Confident | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 62% | 0.622 | S | S | . | * | trans | -70.6 | 126.8 | -177.8 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | L5 V6 | S3-L5 PolarHBondContact O-N 3.49Å; S3-V6 PolarHBondContact O-N 3.13Å | ||
| 4 | P | 82.8 | Confident | 79.4 | Confident | 103 Ų | 103 | 117.9 Ų | 117.9 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59 | -21.2 | -177.5 | 23.9 | -34.2 | 0 | 0 | 0 | 113 | L7 L8 | P4-L7 PolarHBondContact O-N 3Å; P4-L8 PolarHBondContact O-N 2.97Å |
| 5 | L | 84.4 | Confident | 79.2 | Confident | 128 Ų | 128 | 117.1 Ų | 117.1 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.1 | -36 | 175.2 | -118.9 | 149.3 | 0 | 0 | 0 | 112.9 | S3 L9 | S3-L5 PolarHBondContact O-N 3.49Å; L5-L9 PolarHBondContact O-N 3.02Å; L5-L9 VanDerWaalsContact O-N 3.13Å |
| 6 | V | 83.9 | Confident | 78.5 | Confident | 83 Ų | 83 | 112.6 Ų | 112.6 | 50% | 0.503 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -69.8 | -40.6 | 179.3 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | S3 L8 L9 L10 | S3-V6 PolarHBondContact O-N 3.13Å; V6-L8 PolarHBondContact O-N 3.26Å; V6-L9 PolarHBondContact O-N 3.24Å; V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 PolarHBondContact O-N 3.46Å |
| 7 | L | 84.5 | Confident | 77.6 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -42.3 | 178.8 | -133.5 | 98.5 | 0 | 0 | 0 | 111.7 | P4 L10 W11 | P4-L7 PolarHBondContact O-N 3Å; L7-L10 PolarHBondContact O-N 3.24Å; L7-W11 WeakPolarHBondContact O-CB 3.38Å; L7-W11 PolarHBondContact O-N 3.39Å |
| 8 | L | 85.7 | Confident | 76.8 | Confident | 102 Ų | 102 | 109.4 Ų | 109.4 | 53% | 0.534 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.6 | -43.8 | 174.9 | -101.7 | 154.6 | 0 | 0 | 0 | 111.4 | P4 V6 W11 H12 | P4-L8 PolarHBondContact O-N 2.97Å; V6-L8 PolarHBondContact O-N 3.26Å; L8-W11 PolarHBondContact O-N 2.97Å; L8-H12 PolarHBondContact O-N 3.46Å; L8-H12 VanDerWaalsContact O-N 3.1Å; L8-H12 PolarHBondContact O-ND1 3.36Å |
| 9 | L | 86 | Confident | 76 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.1 | -44.8 | -179.8 | -148.9 | 99.6 | 0 | 0 | 0 | 111.8 | L5 V6 W11 H12 I13 | L5-L9 PolarHBondContact O-N 3.02Å; L5-L9 VanDerWaalsContact O-N 3.13Å; V6-L9 PolarHBondContact O-N 3.24Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.29Å; L9-H12 PolarHBondContact O-N 3.03Å; L9-I13 HydrophobicContact CD2-CD1 4.16Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.49Å |
| 10 | L | 82.7 | Confident | 74.8 | Confident | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.9 | -42 | 176.5 | -76.1 | 166.9 | 0 | 0 | 0 | 111.7 | V6 L7 H12 I13 C14 | V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 3.24Å; L10-H12 VanDerWaalsContact C-N 3.35Å; L10-H12 PolarHBondContact O-N 2.96Å; L10-I13 PolarHBondContact O-N 3.05Å; L10-C14 PolarHBondContact O-N 2.73Å; L10-C14 PolarHBondContact O-SG 3.1Å; L10-C14 VanDerWaalsContact O-SG 3.39Å |
| 11 | W | 82.1 | Confident | 73.7 | Confident | 147 Ų | 147 | 110.6 Ų | 110.6 | 56% | 0.557 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.8 | -43.8 | 175.8 | -178.3 | 82.7 | 0 | 0 | 0 | 112.1 | L7 L8 L9 I13 C14 F15 | L7-W11 WeakPolarHBondContact O-CB 3.38Å; L7-W11 PolarHBondContact O-N 3.39Å; L8-W11 PolarHBondContact O-N 2.97Å; L9-W11 VanDerWaalsContact C-N 3.33Å; L9-W11 PolarHBondContact O-N 3.29Å; W11-I13 PolarHBondContact O-N 2.94Å; W11-C14 PolarHBondContact O-N 3.49Å; W11-F15 HydrophobicContact CZ2-CD2 4.35Å; W11-F15 HydrophobicContact CZ2-CG 4.5Å; W11-F15 VanDerWaalsContact O-CB 3.32Å; W11-F15 WeakPolarHBondContact O-CB 3.31Å; W11-F15 PolarHBondContact O-N 3.45Å |
| 12 | H | 79.4 | Confident | 72.8 | Confident | 105 Ų | 105 | 109 Ų | 109 | 49% | 0.486 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -38.8 | 177.3 | -73.1 | 85.4 | 0 | 0 | 0 | 112.7 | L8 L9 L10 F15 A16 | L8-H12 PolarHBondContact O-N 3.46Å; L8-H12 VanDerWaalsContact O-N 3.1Å; L8-H12 PolarHBondContact O-ND1 3.36Å; L9-H12 PolarHBondContact O-N 3.03Å; L10-H12 VanDerWaalsContact C-N 3.35Å; L10-H12 PolarHBondContact O-N 2.96Å; H12-F15 PolarHBondContact O-N 3.48Å; H12-A16 VanDerWaalsContact O-CB 3.31Å; H12-A16 WeakPolarHBondContact O-CB 3.32Å; H12-A16 PolarHBondContact O-N 3.5Å |
| 13 | I | 77.3 | Confident | 71.8 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -48.5 | 178 | -65.7 | 166.6 | 0 | 0 | 0 | 110.2 | L9 L10 W11 F15 A16 T17 | L9-I13 HydrophobicContact CD2-CD1 4.16Å; L9-I13 WeakPolarHBondContact O-CG1 3.48Å; L9-I13 PolarHBondContact O-N 3.49Å; L10-I13 PolarHBondContact O-N 3.05Å; W11-I13 PolarHBondContact O-N 2.94Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 2.98Å; I13-A16 PolarHBondContact O-N 2.98Å; I13-T17 WeakPolarHBondContact O-CG2 3.5Å; I13-T17 PolarHBondContact O-N 2.85Å; I13-T17 PolarHBondContact O-OG1 3.5Å; I13-T17 VanDerWaalsContact O-OG1 3.08Å |
| 14 | C | 72.9 | Confident | 70.4 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.2 | -41.8 | 177.3 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | L10 W11 T17 A18 | L10-C14 PolarHBondContact O-N 2.73Å; L10-C14 PolarHBondContact O-SG 3.1Å; L10-C14 VanDerWaalsContact O-SG 3.39Å; W11-C14 PolarHBondContact O-N 3.49Å; C14-T17 WeakPolarHBondContact CA-OG1 3.37Å; C14-T17 PolarHBondContact O-N 3.42Å; C14-T17 PolarHBondContact O-OG1 3.31Å; C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.08Å |
| 15 | F | 76 | Confident | 68.8 | Low | 107 Ų | 107 | 111 Ų | 111 | 47% | 0.469 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.2 | -39.7 | 179.8 | -153.4 | -109.4 | 0 | 0 | 0 | 111.8 | W11 H12 I13 A18 L19 | W11-F15 HydrophobicContact CZ2-CD2 4.35Å; W11-F15 HydrophobicContact CZ2-CG 4.5Å; W11-F15 VanDerWaalsContact O-CB 3.32Å; W11-F15 WeakPolarHBondContact O-CB 3.31Å; W11-F15 PolarHBondContact O-N 3.45Å; H12-F15 PolarHBondContact O-N 3.48Å; I13-F15 VanDerWaalsContact C-N 3.32Å; I13-F15 PolarHBondContact O-N 2.98Å; F15-A18 PolarHBondContact O-N 3.4Å; F15-L19 HydrophobicContact CD1-CD1 3.42Å; F15-L19 VanDerWaalsContact CD1-CD1 3.42Å; F15-L19 HydrophobicContact CD1-CG 4.25Å; F15-L19 HydrophobicContact CE1-CD1 3.24Å; F15-L19 HydrophobicContact CE1-CG 4.17Å; F15-L19 HydrophobicContact CG-CD1 4.32Å; F15-L19 HydrophobicContact CZ-CD1 4Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.95Å |
| 16 | A | 68.2 | Low | 67.3 | Low | 45 Ų | 45 | 106.3 Ų | 106.3 | 37% | 0.372 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H12 I13 A18 L19 Y20 | H12-A16 VanDerWaalsContact O-CB 3.31Å; H12-A16 WeakPolarHBondContact O-CB 3.32Å; H12-A16 PolarHBondContact O-N 3.5Å; I13-A16 PolarHBondContact O-N 2.98Å; A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 3.04Å; A16-L19 PolarHBondContact O-N 3.44Å; A16-Y20 WeakPolarHBondContact O-CB 3.35Å; A16-Y20 WeakPolarHBondContact O-CD2 3.37Å; A16-Y20 PolarHBondContact O-N 3.4Å |
| 17 | T | 62.9 | Low | 65.8 | Low | 93 Ų | 93 | 109 Ų | 109 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.4 | -27.4 | 177.3 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | I13 C14 | I13-T17 WeakPolarHBondContact O-CG2 3.5Å; I13-T17 PolarHBondContact O-N 2.85Å; I13-T17 PolarHBondContact O-OG1 3.5Å; I13-T17 VanDerWaalsContact O-OG1 3.08Å; C14-T17 WeakPolarHBondContact CA-OG1 3.37Å; C14-T17 PolarHBondContact O-N 3.42Å; C14-T17 PolarHBondContact O-OG1 3.31Å |
| 18 | A | 63.8 | Low | 64.7 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 62% | 0.62 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -78 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C14 F15 A16 | C14-A18 WeakPolarHBondContact O-CB 3.49Å; C14-A18 PolarHBondContact O-N 3.08Å; F15-A18 PolarHBondContact O-N 3.4Å; A16-A18 VanDerWaalsContact C-N 3.3Å; A16-A18 PolarHBondContact O-N 3.04Å |
| 19 | L | 60.2 | Low | 63.5 | Low | 112 Ų | 112 | 105.3 Ų | 105.3 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -83 | -27.2 | -179.4 | -75.4 | 177.8 | 0 | 0 | 0 | 114.2 | F15 A16 P21 | F15-L19 HydrophobicContact CD1-CD1 3.42Å; F15-L19 VanDerWaalsContact CD1-CD1 3.42Å; F15-L19 HydrophobicContact CD1-CG 4.25Å; F15-L19 HydrophobicContact CE1-CD1 3.24Å; F15-L19 HydrophobicContact CE1-CG 4.17Å; F15-L19 HydrophobicContact CG-CD1 4.32Å; F15-L19 HydrophobicContact CZ-CD1 4Å; F15-L19 WeakPolarHBondContact O-CB 3.41Å; F15-L19 WeakPolarHBondContact O-CG 3.42Å; F15-L19 PolarHBondContact O-N 2.95Å; A16-L19 PolarHBondContact O-N 3.44Å; L19-P21 WeakPolarHBondContact O-CD 3.39Å |
| 20 | Y | 53.1 | Low | 62.5 | Low | 178 Ų | 178 | 100.7 Ų | 100.7 | 70% | 0.698 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -103.9 | 78.8 | 168 | -67.4 | -87 | 0 | 0 | 0 | 108.2 | A16 Y22 | A16-Y20 WeakPolarHBondContact O-CB 3.35Å; A16-Y20 WeakPolarHBondContact O-CD2 3.37Å; A16-Y20 PolarHBondContact O-N 3.4Å; Y20-Y22 PolarHBondContact O-N 2.9Å |
| 21 | P | 50.5 | Low | 61.5 | Low | 62 Ų | 62 | 102.4 Ų | 102.4 | 40% | 0.403 | 52% | 0.517 | S | S | . | . | trans | -57.3 | 111 | 160.5 | 26.9 | -30.7 | 0 | 0 | 0 | 106 | L19 | L19-P21 WeakPolarHBondContact O-CD 3.39Š| ||
| 22 | Y | 47.1 | Very low | 60.8 | Low | 210 Ų | 210 | 98.9 Ų | 98.9 | 82% | 0.824 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -39.8 | 134.2 | 164.3 | -99.4 | -106.2 | 0 | 0 | 0 | 108.1 | Y20 L24 | Y20-Y22 PolarHBondContact O-N 2.9Å; Y22-L24 PolarHBondContact O-N 2.76Å |
| 23 | P | 45 | Very low | 60.3 | Low | 94 Ų | 94 | 95.2 Ų | 95.2 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -59.1 | 93 | -143.5 | 27.8 | -36.7 | 0 | 0 | 0 | 111.3 | Y25 Y28 | P23-Y25 VanDerWaalsContact C-N 3.3Å; P23-Y28 PolarHBondContact O-OH 3.16Å |
| 24 | L | 50.8 | Low | 59.9 | Low | 95 Ų | 95 | 95.6 Ų | 95.6 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | trans | -84.3 | -14.8 | 160.5 | -73.3 | 166 | 0 | 0 | 0 | 110.4 | Y22 G26 | Y22-L24 PolarHBondContact O-N 2.76Å; L24-G26 PolarHBondContact O-N 3.09Å | ||
| 25 | Y | 47.6 | Very low | 59.8 | Low | 198 Ų | 198 | 95.1 Ų | 95.1 | 78% | 0.776 | 49% | 0.492 | S | S | * | . | trans | -88.7 | 80.8 | 169.7 | -73.5 | -80.3 | 0 | 0 | 0 | 109.7 | P23 | P23-Y25 VanDerWaalsContact C-N 3.3Š| ||
| 26 | G | 53.6 | Low | 59.6 | Low | 31 Ų | 31 | 90.1 Ų | 90.1 | 32% | 0.32 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -153.9 | 141.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L24 Y28 | L24-G26 PolarHBondContact O-N 3.09Å; G26-Y28 WeakPolarHBondContact O-CD2 3.43Å; G26-Y28 WeakPolarHBondContact O-CE2 3.46Å; G26-Y28 PolarHBondContact O-N 3.17Å |
| 27 | E | 52.5 | Low | 59.7 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 65% | 0.654 | 47% | 0.469 | S | S | * | . | trans | -63 | 105.8 | 169.7 | -75.1 | 178.9 | 104.1 | 0 | 0 | 108.1 | V29 I70 | E27-V29 PolarHBondContact O-N 3.14Å; E27-I70 HydrophobicContact CB-CG2 4.03Å; E27-I70 HydrophobicContact CG-CG2 3.93Å; E27-I70 WeakPolarHBondContact OE1-CG2 3.49Å | ||
| 28 | Y | 60.9 | Low | 60.2 | Low | 62 Ų | 62 | 95.4 Ų | 95.4 | 24% | 0.243 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105.5 | 170.4 | -60.2 | -82.5 | 0 | 0 | 0 | 107.4 | P23 G26 F30 F71 | P23-Y28 PolarHBondContact O-OH 3.16Å; G26-Y28 WeakPolarHBondContact O-CD2 3.43Å; G26-Y28 WeakPolarHBondContact O-CE2 3.46Å; G26-Y28 PolarHBondContact O-N 3.17Å; Y28-F30 HydrophobicContact CG-CE2 4.27Å; Y28-F30 PolarHBondContact O-N 3.39Å; Y28-F71 PolarHBondContact N-O 3.32Å; Y28-F71 WeakPolarHBondContact O-CD2 3.03Å; Y28-F71 PolarHBondContact O-N 2.91Å |
| 29 | V | 60.1 | Low | 60.5 | Low | 78 Ų | 78 | 100 Ų | 100 | 47% | 0.473 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.2 | 172.1 | -175 | 0 | 0 | 0 | 0 | 107.5 | E27 K68 I70 | E27-V29 PolarHBondContact O-N 3.14Å; V29-K68 HydrophobicContact CG1-CB 3.82Å; V29-K68 HydrophobicContact CG1-CD 3.44Å; V29-K68 VanDerWaalsContact CG1-CD 3.44Å; V29-K68 HydrophobicContact CG1-CG 4.21Å; V29-I70 HydrophobicContact CG2-CG1 4.45Å |
| 30 | F | 65.2 | Low | 61 | Low | 13 Ų | 13 | 95.6 Ų | 95.6 | 6% | 0.057 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | 167 | -63.6 | -95.9 | 0 | 0 | 0 | 108.6 | Y28 D32 N35 F36 R39 Y40 F69 F71 | Y28-F30 HydrophobicContact CG-CE2 4.27Å; Y28-F30 PolarHBondContact O-N 3.39Å; F30-D32 PolarHBondContact O-N 3.25Å; F30-N35 HydrophobicContact CD1-CB 4.3Å; F30-F36 HydrophobicContact CB-CB 4.36Å; F30-F36 HydrophobicContact CD1-CB 3.97Å; F30-F36 HydrophobicContact CD1-CD2 4.5Å; F30-F36 HydrophobicContact CD2-CB 4.43Å; F30-F36 AromaticContact CD2-CD2 3.84Å; F30-F36 HydrophobicContact CD2-CD2 3.84Å; F30-F36 HydrophobicContact CE1-CB 4.34Å; F30-F36 HydrophobicContact CE1-CD2 4.34Å; F30-F36 AromaticContact CE2-CD2 3.62Å; F30-F36 HydrophobicContact CE2-CD2 3.62Å; F30-F36 HydrophobicContact CE2-CE2 4.27Å; F30-F36 HydrophobicContact CG-CB 4.01Å; F30-F36 HydrophobicContact CG-CD2 4.26Å; F30-F36 AromaticContact CZ-CD2 3.92Å; F30-F36 HydrophobicContact CZ-CD2 3.92Å; F30-R39 HydrophobicContact CE1-CB 4.46Å; F30-R39 HydrophobicContact CE1-CG 4.36Å; F30-Y40 HydrophobicContact CE1-CE2 4.49Å; F30-Y40 HydrophobicContact CE2-CE2 4.16Å; F30-Y40 HydrophobicContact CZ-CD2 4.49Å; F30-Y40 AromaticContact CZ-CE2 3.66Å; F30-Y40 HydrophobicContact CZ-CE2 3.66Å; F30-F69 PolarHBondContact N-O 3.14Å; F30-F69 PolarHBondContact O-N 2.91Å; F30-F71 HydrophobicContact CB-CE2 4Å; F30-F71 AromaticContact CD2-CD2 3.36Å; F30-F71 HydrophobicContact CD2-CD2 3.36Å; F30-F71 AromaticContact CD2-CE2 3.34Å; F30-F71 HydrophobicContact CD2-CE2 3.34Å; F30-F71 HydrophobicContact CD2-CG 4.37Å; F30-F71 HydrophobicContact CD2-CZ 4.37Å; F30-F71 AromaticContact CE2-CD2 3.89Å; F30-F71 HydrophobicContact CE2-CD2 3.89Å; F30-F71 HydrophobicContact CE2-CE2 4.12Å; F30-F71 HydrophobicContact CG-CD2 4.4Å; F30-F71 AromaticContact CG-CE2 4Å; F30-F71 HydrophobicContact CG-CE2 4Å |
| 31 | E | 63.2 | Low | 61.9 | Low | 135 Ų | 135 | 91.7 Ų | 91.7 | 63% | 0.631 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -68.1 | -22.4 | 176.9 | -62.1 | -179.2 | 111.4 | 0 | 0 | 112 | K68 | E31-K68 HydrophobicContact CG-CD 4.44Š|
| 32 | D | 67.6 | Low | 63 | Low | 73 Ų | 73 | 96.8 Ų | 96.8 | 39% | 0.39 | 46% | 0.457 | S | S | . | . | trans | -148.1 | 144.8 | -175.4 | -159.7 | -42.3 | 0 | 0 | 0 | 110.4 | F30 D34 N35 F36 | F30-D32 PolarHBondContact O-N 3.25Å; D32-D34 PolarHBondContact O-N 3.01Å; D32-D34 PolarHBondContact OD1-N 3.42Å; D32-N35 HydrophobicContact CB-CB 4.49Å; D32-N35 PolarHBondContact O-N 2.82Å; D32-F36 PolarHBondContact O-N 2.67Å | ||
| 33 | A | 67.3 | Low | 64.1 | Low | 28 Ų | 28 | 93 Ų | 93 | 23% | 0.231 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.8 | -35.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | N35 F36 M37 F69 | A33-N35 VanDerWaalsContact C-N 3.31Å; A33-N35 PolarHBondContact O-N 3.33Å; A33-F36 WeakPolarHBondContact O-CB 3.44Å; A33-F36 PolarHBondContact O-N 3.28Å; A33-F36 VanDerWaalsContact O-N 3.15Å; A33-M37 WeakPolarHBondContact O-CG 3.37Å; A33-M37 PolarHBondContact O-N 2.85Å; A33-F69 HydrophobicContact CB-CE2 4.14Å |
| 34 | D | 69.4 | Low | 65.4 | Low | 100 Ų | 100 | 89.7 Ų | 89.7 | 54% | 0.535 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 177.9 | -72.8 | -18.1 | 0 | 0 | 0 | 112.1 | D32 F36 M37 R38 | D32-D34 PolarHBondContact O-N 3.01Å; D32-D34 PolarHBondContact OD1-N 3.42Å; D34-F36 VanDerWaalsContact C-N 3.34Å; D34-M37 PolarHBondContact O-N 3.35Å; D34-M37 WeakPolarHBondContact OD1-CE 3.04Å; D34-R38 WeakPolarHBondContact O-CB 3.43Å; D34-R38 PolarHBondContact O-N 3.33Å |
| 35 | N | 71.8 | Confident | 66.4 | Low | 69 Ų | 69 | 87.2 Ų | 87.2 | 37% | 0.369 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 175.9 | -83.4 | -36.8 | 0 | 0 | 0 | 112 | F30 D32 A33 R39 | F30-N35 HydrophobicContact CD1-CB 4.3Å; D32-N35 HydrophobicContact CB-CB 4.49Å; D32-N35 PolarHBondContact O-N 2.82Å; A33-N35 VanDerWaalsContact C-N 3.31Å; A33-N35 PolarHBondContact O-N 3.33Å; N35-R39 PolarHBondContact O-N 3.4Å |
| 36 | F | 71.5 | Confident | 67.6 | Low | 1 Ų | 1 | 85.6 Ų | 85.6 | 0% | 0.004 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64 | -50.5 | 171.5 | 178.5 | -91.4 | 0 | 0 | 0 | 110.2 | F30 D32 A33 D34 R38 R39 Y40 V53 L56 F57 Y60 F71 | F30-F36 HydrophobicContact CB-CB 4.36Å; F30-F36 HydrophobicContact CD1-CB 3.97Å; F30-F36 HydrophobicContact CD1-CD2 4.5Å; F30-F36 HydrophobicContact CD2-CB 4.43Å; F30-F36 AromaticContact CD2-CD2 3.84Å; F30-F36 HydrophobicContact CD2-CD2 3.84Å; F30-F36 HydrophobicContact CE1-CB 4.34Å; F30-F36 HydrophobicContact CE1-CD2 4.34Å; F30-F36 AromaticContact CE2-CD2 3.62Å; F30-F36 HydrophobicContact CE2-CD2 3.62Å; F30-F36 HydrophobicContact CE2-CE2 4.27Å; F30-F36 HydrophobicContact CG-CB 4.01Å; F30-F36 HydrophobicContact CG-CD2 4.26Å; F30-F36 AromaticContact CZ-CD2 3.92Å; F30-F36 HydrophobicContact CZ-CD2 3.92Å; D32-F36 PolarHBondContact O-N 2.67Å; A33-F36 WeakPolarHBondContact O-CB 3.44Å; A33-F36 PolarHBondContact O-N 3.28Å; A33-F36 VanDerWaalsContact O-N 3.15Å; D34-F36 VanDerWaalsContact C-N 3.34Å; F36-R38 PolarHBondContact O-N 3.15Å; F36-R39 PolarHBondContact O-N 3.46Å; F36-R39 VanDerWaalsContact O-N 3.17Å; F36-Y40 HydrophobicContact CD1-CD2 4.24Å; F36-Y40 AromaticContact CD2-CD2 3.57Å; F36-Y40 HydrophobicContact CD2-CD2 3.57Å; F36-Y40 AromaticContact CD2-CE2 3.51Å; F36-Y40 HydrophobicContact CD2-CE2 3.51Å; F36-Y40 HydrophobicContact CE1-CD2 4.08Å; F36-Y40 AromaticContact CE2-CD2 3.38Å; F36-Y40 HydrophobicContact CE2-CD2 3.38Å; F36-Y40 AromaticContact CE2-CE2 3.23Å; F36-Y40 HydrophobicContact CE2-CE2 3.23Å; F36-Y40 HydrophobicContact CE2-CG 4.29Å; F36-Y40 HydrophobicContact CG-CD2 4Å; F36-Y40 HydrophobicContact CG-CE2 4.37Å; F36-Y40 AromaticContact CZ-CD2 3.65Å; F36-Y40 HydrophobicContact CZ-CD2 3.65Å; F36-Y40 AromaticContact CZ-CE2 3.91Å; F36-Y40 HydrophobicContact CZ-CE2 3.91Å; F36-Y40 HydrophobicContact CZ-CG 4.16Å; F36-Y40 WeakPolarHBondContact O-CD2 3.25Å; F36-Y40 PolarHBondContact O-N 2.02Å; F36-Y40 VanDerWaalsContact O-N 3.09Å; F36-V53 HydrophobicContact CD1-CG1 3.78Å; F36-V53 HydrophobicContact CE1-CG1 3.59Å; F36-L56 HydrophobicContact CZ-CB 4.27Å; F36-F57 AromaticContact CD1-CD2 3.98Å; F36-F57 HydrophobicContact CD1-CD2 3.98Å; F36-F57 HydrophobicContact CE1-CB 3.78Å; F36-F57 AromaticContact CE1-CD2 3.97Å; F36-F57 HydrophobicContact CE1-CD2 3.97Å; F36-F57 HydrophobicContact CE1-CG 4.4Å; F36-F57 HydrophobicContact CZ-CB 4.25Å; F36-F57 HydrophobicContact CZ-CD2 4.49Å; F36-Y60 HydrophobicContact CZ-CD2 4.48Å; F36-F71 HydrophobicContact CB-CZ 4.16Å; F36-F71 HydrophobicContact CD1-CE1 4.46Å; F36-F71 HydrophobicContact CD1-CZ 4.3Å; F36-F71 HydrophobicContact CD2-CD1 4.08Å; F36-F71 HydrophobicContact CD2-CD2 4.21Å; F36-F71 AromaticContact CD2-CE1 3.54Å; F36-F71 HydrophobicContact CD2-CE1 3.54Å; F36-F71 AromaticContact CD2-CE2 3.66Å; F36-F71 HydrophobicContact CD2-CE2 3.66Å; F36-F71 HydrophobicContact CD2-CG 4.4Å; F36-F71 AromaticContact CD2-CZ 3.28Å; F36-F71 HydrophobicContact CD2-CZ 3.28Å; F36-F71 HydrophobicContact CE1-CE1 4.29Å; F36-F71 AromaticContact CE2-CD1 3.6Å; F36-F71 HydrophobicContact CE2-CD1 3.6Å; F36-F71 HydrophobicContact CE2-CD2 4.44Å; F36-F71 AromaticContact CE2-CE1 3.32Å; F36-F71 HydrophobicContact CE2-CE1 3.32Å; F36-F71 HydrophobicContact CE2-CE2 4.18Å; F36-F71 HydrophobicContact CE2-CG 4.16Å; F36-F71 AromaticContact CE2-CZ 3.63Å; F36-F71 HydrophobicContact CE2-CZ 3.63Å; F36-F71 HydrophobicContact CG-CE1 4.12Å; F36-F71 HydrophobicContact CG-CE2 4.27Å; F36-F71 AromaticContact CG-CZ 3.66Å; F36-F71 HydrophobicContact CG-CZ 3.66Å; F36-F71 HydrophobicContact CZ-CD1 4.21Å; F36-F71 AromaticContact CZ-CE1 3.74Å; F36-F71 HydrophobicContact CZ-CE1 3.74Å; F36-F71 HydrophobicContact CZ-CZ 4.27Å |
| 37 | M | 69.8 | Low | 68.4 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.1 | -52.1 | -179 | -68.1 | -169.3 | -79.5 | 0 | 0 | 111.4 | A33 D34 R39 Y40 E41 V53 | A33-M37 WeakPolarHBondContact O-CG 3.37Å; A33-M37 PolarHBondContact O-N 2.85Å; D34-M37 PolarHBondContact O-N 3.35Å; D34-M37 WeakPolarHBondContact OD1-CE 3.04Å; M37-R39 PolarHBondContact O-N 2.87Å; M37-R39 VanDerWaalsContact O-N 3.14Å; M37-Y40 PolarHBondContact O-N 3.39Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; M37-E41 VanDerWaalsContact O-CB 3.25Å; M37-E41 WeakPolarHBondContact O-CB 3.11Å; M37-E41 PolarHBondContact O-N 3.38Å; M37-V53 HydrophobicContact CB-CG1 4.26Å; M37-V53 HydrophobicContact CG-CG1 3.85Å |
| 38 | R | 72.9 | Confident | 69.4 | Low | 179 Ų | 179 | 90.9 Ų | 90.9 | 68% | 0.675 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.8 | -29.4 | -178.5 | -162.8 | 173.7 | 73.9 | 154.2 | 0.6 | 114.2 | D34 F36 | D34-R38 WeakPolarHBondContact O-CB 3.43Å; D34-R38 PolarHBondContact O-N 3.33Å; F36-R38 PolarHBondContact O-N 3.15Å |
| 39 | R | 70.2 | Confident | 69.9 | Low | 170 Ų | 170 | 89.2 Ų | 89.2 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -78.1 | -41.1 | 177.1 | -79 | -151.6 | -177.8 | -171.7 | -2.5 | 112.5 | F30 N35 F36 M37 | F30-R39 HydrophobicContact CE1-CB 4.46Å; F30-R39 HydrophobicContact CE1-CG 4.36Å; N35-R39 PolarHBondContact O-N 3.4Å; F36-R39 PolarHBondContact O-N 3.46Å; F36-R39 VanDerWaalsContact O-N 3.17Å; M37-R39 PolarHBondContact O-N 2.87Å; M37-R39 VanDerWaalsContact O-N 3.14Å |
| 40 | Y | 71.4 | Confident | 70.5 | Confident | 21 Ų | 21 | 91 Ų | 91 | 8% | 0.082 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -90.8 | -18.6 | -174 | -74.3 | -83.7 | 0 | 0 | 0 | 113.5 | F30 F36 M37 Q42 L43 C44 L56 Y60 | F30-Y40 HydrophobicContact CE1-CE2 4.49Å; F30-Y40 HydrophobicContact CE2-CE2 4.16Å; F30-Y40 HydrophobicContact CZ-CD2 4.49Å; F30-Y40 AromaticContact CZ-CE2 3.66Å; F30-Y40 HydrophobicContact CZ-CE2 3.66Å; F36-Y40 HydrophobicContact CD1-CD2 4.24Å; F36-Y40 AromaticContact CD2-CD2 3.57Å; F36-Y40 HydrophobicContact CD2-CD2 3.57Å; F36-Y40 AromaticContact CD2-CE2 3.51Å; F36-Y40 HydrophobicContact CD2-CE2 3.51Å; F36-Y40 HydrophobicContact CE1-CD2 4.08Å; F36-Y40 AromaticContact CE2-CD2 3.38Å; F36-Y40 HydrophobicContact CE2-CD2 3.38Å; F36-Y40 AromaticContact CE2-CE2 3.23Å; F36-Y40 HydrophobicContact CE2-CE2 3.23Å; F36-Y40 HydrophobicContact CE2-CG 4.29Å; F36-Y40 HydrophobicContact CG-CD2 4Å; F36-Y40 HydrophobicContact CG-CE2 4.37Å; F36-Y40 AromaticContact CZ-CD2 3.65Å; F36-Y40 HydrophobicContact CZ-CD2 3.65Å; F36-Y40 AromaticContact CZ-CE2 3.91Å; F36-Y40 HydrophobicContact CZ-CE2 3.91Å; F36-Y40 HydrophobicContact CZ-CG 4.16Å; F36-Y40 WeakPolarHBondContact O-CD2 3.25Å; F36-Y40 PolarHBondContact O-N 2.02Å; F36-Y40 VanDerWaalsContact O-N 3.09Å; M37-Y40 PolarHBondContact O-N 3.39Å; M37-Y40 VanDerWaalsContact O-N 3.16Å; Y40-Q42 PolarHBondContact O-N 3.38Å; Y40-L43 HydrophobicContact CD1-CD1 3.49Å; Y40-L43 VanDerWaalsContact CD1-CD1 3.49Å; Y40-L43 HydrophobicContact CE1-CD1 3.89Å; Y40-L43 HydrophobicContact CG-CD1 4.44Å; Y40-L43 WeakPolarHBondContact O-CA 3.25Å; Y40-L43 WeakPolarHBondContact O-CB 3.41Å; Y40-L43 PolarHBondContact O-N 3.39Å; Y40-C44 PolarHBondContact O-N 2.95Å; Y40-C44 PolarHBondContact O-SG 3.33Å; Y40-L56 HydrophobicContact CD1-CD1 3.84Å; Y40-L56 HydrophobicContact CG-CD1 4.27Å; Y40-Y60 HydrophobicContact CE1-CE2 4.49Å |
| 41 | E | 71 | Confident | 71.1 | Confident | 96 Ų | 96 | 94 Ų | 94 | 45% | 0.449 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -52.1 | -42.1 | 171.4 | -164.8 | 179.9 | 142.5 | 0 | 0 | 111.4 | M37 L43 C44 P49 | M37-E41 VanDerWaalsContact O-CB 3.25Å; M37-E41 WeakPolarHBondContact O-CB 3.11Å; M37-E41 PolarHBondContact O-N 3.38Å; E41-L43 PolarHBondContact O-N 2.96Å; E41-L43 VanDerWaalsContact O-N 3.14Å; E41-C44 PolarHBondContact O-N 3.35Å; E41-P49 HydrophobicContact CG-CB 3.46Å; E41-P49 VanDerWaalsContact CG-CB 3.46Å; E41-P49 HydrophobicContact CG-CG 4.39Å |
| 42 | Q | 73.6 | Confident | 71.6 | Confident | 169 Ų | 169 | 89.5 Ų | 89.5 | 79% | 0.79 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -61 | -23.8 | 177.2 | -61.8 | -175.1 | -4.8 | 0 | 0 | 113.7 | Y40 | Y40-Q42 PolarHBondContact O-N 3.38Å |
| 43 | L | 70.8 | Confident | 71.9 | Confident | 130 Ų | 130 | 86.3 Ų | 86.3 | 68% | 0.681 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -88.3 | -18.9 | 178.3 | -64.8 | 170.3 | 0 | 0 | 0 | 112.3 | Y40 E41 | Y40-L43 HydrophobicContact CD1-CD1 3.49Å; Y40-L43 VanDerWaalsContact CD1-CD1 3.49Å; Y40-L43 HydrophobicContact CE1-CD1 3.89Å; Y40-L43 HydrophobicContact CG-CD1 4.44Å; Y40-L43 WeakPolarHBondContact O-CA 3.25Å; Y40-L43 WeakPolarHBondContact O-CB 3.41Å; Y40-L43 PolarHBondContact O-N 3.39Å; E41-L43 PolarHBondContact O-N 2.96Å; E41-L43 VanDerWaalsContact O-N 3.14Å |
| 44 | C | 71.9 | Confident | 72.2 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 17% | 0.169 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -88 | -10.8 | -171.1 | -74.3 | 0 | 0 | 0 | 0 | 114.7 | Y40 E41 C52 V53 | Y40-C44 PolarHBondContact O-N 2.95Å; Y40-C44 PolarHBondContact O-SG 3.33Å; E41-C44 PolarHBondContact O-N 3.35Å; C44-C52 WeakPolarHBondContact CA-SG 2.91Å; C44-C52 HydrophobicContact CB-CB 3.38Å; C44-C52 WeakPolarHBondContact CB-SG 3.4Å; C44-C52 VanDerWaalsContact SG-C 3.55Å; C44-C52 WeakPolarHBondContact SG-CB 2.95Å; C44-C52 CovalentContact SG-SG 2.02Å; C44-C52 PolarHBondContact SG-SG 2.94Å; C44-V53 PolarHBondContact SG-N 3.04Å |
| 45 | G | 71.4 | Confident | 72.4 | Confident | 43 Ų | 43 | 91.2 Ų | 91.2 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | trans | 67.8 | -179.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 46 | D | 73.4 | Confident | 72.4 | Confident | 163 Ų | 163 | 90 Ų | 90 | 87% | 0.872 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -75.9 | -27.5 | -167.7 | -66.9 | -64.6 | 0 | 0 | 0 | 114.7 | ||
| 47 | D | 69.5 | Low | 72.3 | Confident | 162 Ų | 162 | 93 Ų | 93 | 87% | 0.866 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -73.3 | -37.4 | -162.7 | -80.3 | -70.2 | 0 | 0 | 0 | 114 | ||
| 48 | E | 75.1 | Confident | 72.3 | Confident | 120 Ų | 120 | 93 Ų | 93 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | trans | -155.6 | 66 | 178.8 | -63.9 | -177.9 | 107.2 | 0 | 0 | 112.3 | D50 I51 C52 | E48-D50 PolarHBondContact O-N 3.47Å; E48-I51 HydrophobicContact CB-CB 4.25Å; E48-I51 HydrophobicContact CB-CD1 4.32Å; E48-I51 HydrophobicContact CG-CD1 4.4Å; E48-I51 PolarHBondContact O-N 3.42Å; E48-I51 WeakPolarHBondContact OE1-CD1 3.5Å; E48-C52 WeakPolarHBondContact O-CB 3.34Å; E48-C52 PolarHBondContact O-N 2.77Å; E48-C52 VanDerWaalsContact O-N 3.1Å | ||
| 49 | P | 71.3 | Confident | 72.1 | Confident | 28 Ų | 28 | 90.8 Ų | 90.8 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -53.8 | -48.3 | -176.3 | 13.2 | -26.3 | 0 | 0 | 0 | 113.4 | E41 I51 C52 V53 | E41-P49 HydrophobicContact CG-CB 3.46Å; E41-P49 VanDerWaalsContact CG-CB 3.46Å; E41-P49 HydrophobicContact CG-CG 4.39Å; P49-I51 PolarHBondContact O-N 3.19Å; P49-C52 PolarHBondContact O-N 3.03Å; P49-V53 WeakPolarHBondContact O-CB 3.47Å; P49-V53 VanDerWaalsContact O-CG2 3.25Å; P49-V53 WeakPolarHBondContact O-CG2 3.16Å; P49-V53 PolarHBondContact O-N 3.35Å |
| 50 | D | 73.1 | Confident | 71.9 | Confident | 116 Ų | 116 | 85.1 Ų | 85.1 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.3 | -43.2 | -175.5 | -59.9 | -36.3 | 0 | 0 | 0 | 112.3 | E48 A54 | E48-D50 PolarHBondContact O-N 3.47Å; D50-A54 WeakPolarHBondContact O-CB 3.45Å; D50-A54 PolarHBondContact O-N 3.16Å |
| 51 | I | 77.4 | Confident | 71.6 | Confident | 76 Ų | 76 | 89.8 Ų | 89.8 | 39% | 0.39 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | -178.8 | -66.9 | 168.8 | 0 | 0 | 0 | 110.2 | E48 P49 A54 R55 | E48-I51 HydrophobicContact CB-CB 4.25Å; E48-I51 HydrophobicContact CB-CD1 4.32Å; E48-I51 HydrophobicContact CG-CD1 4.4Å; E48-I51 PolarHBondContact O-N 3.42Å; E48-I51 WeakPolarHBondContact OE1-CD1 3.5Å; P49-I51 PolarHBondContact O-N 3.19Å; I51-A54 PolarHBondContact O-N 2.93Å; I51-R55 WeakPolarHBondContact O-CG 3.38Å; I51-R55 PolarHBondContact O-N 3.37Å |
| 52 | C | 73.4 | Confident | 71.3 | Confident | 40 Ų | 40 | 86.7 Ų | 86.7 | 27% | 0.27 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.2 | -46.1 | 176.9 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | C44 E48 P49 A54 R55 L56 | C44-C52 WeakPolarHBondContact CA-SG 2.91Å; C44-C52 HydrophobicContact CB-CB 3.38Å; C44-C52 WeakPolarHBondContact CB-SG 3.4Å; C44-C52 VanDerWaalsContact SG-C 3.55Å; C44-C52 WeakPolarHBondContact SG-CB 2.95Å; C44-C52 CovalentContact SG-SG 2.02Å; C44-C52 PolarHBondContact SG-SG 2.94Å; E48-C52 WeakPolarHBondContact O-CB 3.34Å; E48-C52 PolarHBondContact O-N 2.77Å; E48-C52 VanDerWaalsContact O-N 3.1Å; P49-C52 PolarHBondContact O-N 3.03Å; C52-A54 PolarHBondContact O-N 2.96Å; C52-R55 WeakPolarHBondContact O-CB 3.46Å; C52-R55 PolarHBondContact O-N 3.41Å; C52-L56 WeakPolarHBondContact O-CG 3.37Å; C52-L56 PolarHBondContact O-N 3.39Å |
| 53 | V | 73.6 | Confident | 70.8 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 3% | 0.03 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | F36 M37 C44 P49 R55 L56 F57 | F36-V53 HydrophobicContact CD1-CG1 3.78Å; F36-V53 HydrophobicContact CE1-CG1 3.59Å; M37-V53 HydrophobicContact CB-CG1 4.26Å; M37-V53 HydrophobicContact CG-CG1 3.85Å; C44-V53 PolarHBondContact SG-N 3.04Å; P49-V53 WeakPolarHBondContact O-CB 3.47Å; P49-V53 VanDerWaalsContact O-CG2 3.25Å; P49-V53 WeakPolarHBondContact O-CG2 3.16Å; P49-V53 PolarHBondContact O-N 3.35Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.36Å; V53-L56 WeakPolarHBondContact O-CB 3.2Å; V53-L56 PolarHBondContact O-N 3.23Å; V53-L56 VanDerWaalsContact O-N 3.16Å; V53-F57 WeakPolarHBondContact O-CB 3.49Å; V53-F57 PolarHBondContact O-N 3.44Å |
| 54 | A | 73.9 | Confident | 70.5 | Confident | 58 Ų | 58 | 82.4 Ų | 82.4 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D50 I51 C52 F57 A58 | D50-A54 WeakPolarHBondContact O-CB 3.45Å; D50-A54 PolarHBondContact O-N 3.16Å; I51-A54 PolarHBondContact O-N 2.93Å; C52-A54 PolarHBondContact O-N 2.96Å; A54-F57 PolarHBondContact O-N 3.1Å; A54-A58 WeakPolarHBondContact O-CB 3.03Å; A54-A58 PolarHBondContact O-N 2.93Å |
| 55 | R | 72.7 | Confident | 70.3 | Confident | 174 Ų | 174 | 86.1 Ų | 86.1 | 66% | 0.657 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.6 | -41.7 | 172.7 | -75.6 | 179 | -174.8 | 174.2 | 6.1 | 112 | I51 C52 V53 A58 N59 | I51-R55 WeakPolarHBondContact O-CG 3.38Å; I51-R55 PolarHBondContact O-N 3.37Å; C52-R55 WeakPolarHBondContact O-CB 3.46Å; C52-R55 PolarHBondContact O-N 3.41Å; V53-R55 VanDerWaalsContact C-N 3.3Å; V53-R55 PolarHBondContact O-N 3.36Å; R55-A58 PolarHBondContact O-N 2.89Å; R55-N59 WeakPolarHBondContact O-CB 3.37Å; R55-N59 VanDerWaalsContact O-CG 3.24Å; R55-N59 PolarHBondContact O-N 3.37Å; R55-N59 PolarHBondContact O-ND2 3.21Å |
| 56 | L | 72.1 | Confident | 70.1 | Confident | 44 Ų | 44 | 91.2 Ų | 91.2 | 23% | 0.23 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 173.7 | -70.6 | 170.2 | 0 | 0 | 0 | 110.3 | F36 Y40 C52 V53 A58 N59 Y60 | F36-L56 HydrophobicContact CZ-CB 4.27Å; Y40-L56 HydrophobicContact CD1-CD1 3.84Å; Y40-L56 HydrophobicContact CG-CD1 4.27Å; C52-L56 WeakPolarHBondContact O-CG 3.37Å; C52-L56 PolarHBondContact O-N 3.39Å; V53-L56 WeakPolarHBondContact O-CB 3.2Å; V53-L56 PolarHBondContact O-N 3.23Å; V53-L56 VanDerWaalsContact O-N 3.16Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 2.96Å; L56-N59 PolarHBondContact O-N 2.85Å; L56-Y60 HydrophobicContact CB-CD2 4.48Å; L56-Y60 HydrophobicContact CB-CE2 4.45Å; L56-Y60 HydrophobicContact CD2-CE2 4.37Å; L56-Y60 WeakPolarHBondContact O-CD2 3.17Å; L56-Y60 PolarHBondContact O-N 3.49Å |
| 57 | F | 68.9 | Low | 69.6 | Low | 63 Ų | 63 | 86.8 Ų | 86.8 | 28% | 0.276 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 175.9 | -172.3 | -89 | 0 | 0 | 0 | 111.4 | F36 V53 A54 N59 P62 F69 F71 | F36-F57 AromaticContact CD1-CD2 3.98Å; F36-F57 HydrophobicContact CD1-CD2 3.98Å; F36-F57 HydrophobicContact CE1-CB 3.78Å; F36-F57 AromaticContact CE1-CD2 3.97Å; F36-F57 HydrophobicContact CE1-CD2 3.97Å; F36-F57 HydrophobicContact CE1-CG 4.4Å; F36-F57 HydrophobicContact CZ-CB 4.25Å; F36-F57 HydrophobicContact CZ-CD2 4.49Å; V53-F57 WeakPolarHBondContact O-CB 3.49Å; V53-F57 PolarHBondContact O-N 3.44Å; A54-F57 PolarHBondContact O-N 3.1Å; F57-N59 VanDerWaalsContact C-N 3.34Å; F57-N59 PolarHBondContact O-N 3.3Å; F57-P62 HydrophobicContact CD1-CG 3.81Å; F57-P62 HydrophobicContact CD2-CG 4.16Å; F57-P62 HydrophobicContact CE1-CG 3.36Å; F57-P62 HydrophobicContact CE2-CB 4.26Å; F57-P62 HydrophobicContact CE2-CG 3.74Å; F57-P62 HydrophobicContact CG-CG 4.19Å; F57-P62 HydrophobicContact CZ-CB 4.11Å; F57-P62 HydrophobicContact CZ-CG 3.32Å; F57-P62 WeakPolarHBondContact O-CD 3.46Å; F57-F69 HydrophobicContact CE2-CD1 4.18Å; F57-F69 HydrophobicContact CE2-CE1 4.47Å; F57-F69 AromaticContact CZ-CD1 3.97Å; F57-F69 HydrophobicContact CZ-CD1 3.97Å; F57-F69 AromaticContact CZ-CE1 3.99Å; F57-F69 HydrophobicContact CZ-CE1 3.99Å; F57-F71 AromaticContact CD2-CE1 3.39Å; F57-F71 HydrophobicContact CD2-CE1 3.39Å; F57-F71 AromaticContact CD2-CZ 3.56Å; F57-F71 HydrophobicContact CD2-CZ 3.56Å; F57-F71 AromaticContact CE2-CE1 3.72Å; F57-F71 HydrophobicContact CE2-CE1 3.72Å; F57-F71 AromaticContact CE2-CZ 3.52Å; F57-F71 HydrophobicContact CE2-CZ 3.52Å; F57-F71 HydrophobicContact CG-CE1 4.16Å |
| 58 | A | 71.6 | Confident | 69.3 | Low | 70 Ų | 70 | 83 Ų | 83 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.4 | -37.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A54 R55 L56 N61 | A54-A58 WeakPolarHBondContact O-CB 3.03Å; A54-A58 PolarHBondContact O-N 2.93Å; R55-A58 PolarHBondContact O-N 2.89Å; L56-A58 VanDerWaalsContact C-N 3.31Å; L56-A58 PolarHBondContact O-N 2.96Å; A58-N61 PolarHBondContact O-N 2.98Å |
| 59 | N | 67.8 | Low | 68.7 | Low | 133 Ų | 133 | 80.1 Ų | 80.1 | 71% | 0.711 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.6 | -35.6 | -178.9 | -75.9 | -18.8 | 0 | 0 | 0 | 113.3 | R55 L56 F57 N61 | R55-N59 WeakPolarHBondContact O-CB 3.37Å; R55-N59 VanDerWaalsContact O-CG 3.24Å; R55-N59 PolarHBondContact O-N 3.37Å; R55-N59 PolarHBondContact O-ND2 3.21Å; L56-N59 PolarHBondContact O-N 2.85Å; F57-N59 VanDerWaalsContact C-N 3.34Å; F57-N59 PolarHBondContact O-N 3.3Å; N59-N61 PolarHBondContact O-N 3.36Å |
| 60 | Y | 66.7 | Low | 68.3 | Low | 51 Ų | 51 | 79.8 Ų | 79.8 | 20% | 0.2 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 2 | 179.9 | -79 | -72.7 | 0 | 0 | 0 | 113.9 | F36 Y40 L56 F71 | F36-Y60 HydrophobicContact CZ-CD2 4.48Å; Y40-Y60 HydrophobicContact CE1-CE2 4.49Å; L56-Y60 HydrophobicContact CB-CD2 4.48Å; L56-Y60 HydrophobicContact CB-CE2 4.45Å; L56-Y60 HydrophobicContact CD2-CE2 4.37Å; L56-Y60 WeakPolarHBondContact O-CD2 3.17Å; L56-Y60 PolarHBondContact O-N 3.49Å; Y60-F71 HydrophobicContact CD1-CB 4.35Å; Y60-F71 HydrophobicContact CG-CB 4.28Å; Y60-F71 HydrophobicContact CG-CD1 4.2Å |
| 61 | N | 63.5 | Low | 67.6 | Low | 119 Ų | 119 | 74.3 Ų | 74.3 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | trans | 39.8 | 62.2 | 176.7 | -168.6 | 48.9 | 0 | 0 | 0 | 113.7 | A58 N59 K63 | A58-N61 PolarHBondContact O-N 2.98Å; N59-N61 PolarHBondContact O-N 3.36Å; N61-K63 PolarHBondContact O-N 2.88Å | ||
| 62 | P | 65.3 | Low | 66.6 | Low | 31 Ų | 31 | 74.7 Ų | 74.7 | 20% | 0.201 | 42% | 0.424 | C | S | . | . | trans | -61 | 129.3 | -168.9 | 20.3 | -30.7 | 0 | 0 | 0 | 110.5 | F57 F69 I70 F71 | F57-P62 HydrophobicContact CD1-CG 3.81Å; F57-P62 HydrophobicContact CD2-CG 4.16Å; F57-P62 HydrophobicContact CE1-CG 3.36Å; F57-P62 HydrophobicContact CE2-CB 4.26Å; F57-P62 HydrophobicContact CE2-CG 3.74Å; F57-P62 HydrophobicContact CG-CG 4.19Å; F57-P62 HydrophobicContact CZ-CB 4.11Å; F57-P62 HydrophobicContact CZ-CG 3.32Å; F57-P62 WeakPolarHBondContact O-CD 3.46Å; P62-F69 HydrophobicContact CB-CB 4.4Å; P62-F69 HydrophobicContact CB-CD1 4.21Å; P62-I70 WeakPolarHBondContact CA-O 3.34Å; P62-F71 HydrophobicContact CB-CD1 3.94Å; P62-F71 HydrophobicContact CB-CE1 3.73Å; P62-F71 HydrophobicContact CB-CE2 4.48Å; P62-F71 HydrophobicContact CB-CG 4.42Å; P62-F71 HydrophobicContact CB-CZ 4.05Å; P62-F71 HydrophobicContact CG-CD1 4.43Å; P62-F71 HydrophobicContact CG-CE1 4Å | ||
| 63 | K | 64.2 | Low | 66.3 | Low | 123 Ų | 123 | 76.5 Ų | 76.5 | 54% | 0.535 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.5 | 170.5 | -64.5 | 175.8 | -173.8 | 165 | 0 | 107.8 | N61 D65 I70 | N61-K63 PolarHBondContact O-N 2.88Å; K63-D65 PolarHBondContact O-N 3.13Å; K63-I70 PolarHBondContact N-O 3.44Å; K63-I70 PolarHBondContact O-N 3.47Å |
| 64 | A | 64.5 | Low | 65.9 | Low | 86 Ų | 86 | 80.2 Ų | 80.2 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | K68 | A64-K68 WeakPolarHBondContact CA-O 3.39Å |
| 65 | D | 66.6 | Low | 65.4 | Low | 104 Ų | 104 | 81.4 Ų | 81.4 | 56% | 0.556 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 124.1 | 171.2 | -171 | 34.8 | 0 | 0 | 0 | 109 | K63 G67 K68 I70 | K63-D65 PolarHBondContact O-N 3.13Å; D65-G67 VanDerWaalsContact C-N 3.26Å; D65-G67 PolarHBondContact O-N 3.41Å; D65-G67 VanDerWaalsContact O-N 3.13Å; D65-K68 PolarHBondContact N-O 3.28Å; D65-K68 PolarHBondContact O-N 2.91Å; D65-I70 HydrophobicContact CB-CD1 3.69Å; D65-I70 HydrophobicContact CB-CG1 4.36Å |
| 66 | D | 67.8 | Low | 65 | Low | 150 Ų | 150 | 76 Ų | 76 | 80% | 0.802 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.5 | 45.1 | -177.3 | -160.5 | 32.9 | 0 | 0 | 0 | 115.1 | K68 | D66-K68 VanDerWaalsContact C-N 3.26Å; D66-K68 PolarHBondContact O-N 2.88Å |
| 67 | G | 62.9 | Low | 64.6 | Low | 69 Ų | 69 | 78 Ų | 78 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 3.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D65 | D65-G67 VanDerWaalsContact C-N 3.26Å; D65-G67 PolarHBondContact O-N 3.41Å; D65-G67 VanDerWaalsContact O-N 3.13Å |
| 68 | K | 62.2 | Low | 64.3 | Low | 82 Ų | 82 | 79 Ų | 79 | 36% | 0.357 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 151 | 176.9 | -52.9 | -173.2 | -173.4 | -173.7 | 0 | 110.9 | V29 E31 A64 D65 D66 | V29-K68 HydrophobicContact CG1-CB 3.82Å; V29-K68 HydrophobicContact CG1-CD 3.44Å; V29-K68 VanDerWaalsContact CG1-CD 3.44Å; V29-K68 HydrophobicContact CG1-CG 4.21Å; E31-K68 HydrophobicContact CG-CD 4.44Å; A64-K68 WeakPolarHBondContact CA-O 3.39Å; D65-K68 PolarHBondContact N-O 3.28Å; D65-K68 PolarHBondContact O-N 2.91Å; D66-K68 VanDerWaalsContact C-N 3.26Å; D66-K68 PolarHBondContact O-N 2.88Å |
| 69 | F | 63.8 | Low | 63.8 | Low | 61 Ų | 61 | 79.6 Ų | 79.6 | 27% | 0.268 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.8 | 172.6 | -62.7 | -83.4 | 0 | 0 | 0 | 109.1 | F30 A33 F57 P62 F71 | F30-F69 PolarHBondContact N-O 3.14Å; F30-F69 PolarHBondContact O-N 2.91Å; A33-F69 HydrophobicContact CB-CE2 4.14Å; F57-F69 HydrophobicContact CE2-CD1 4.18Å; F57-F69 HydrophobicContact CE2-CE1 4.47Å; F57-F69 AromaticContact CZ-CD1 3.97Å; F57-F69 HydrophobicContact CZ-CD1 3.97Å; F57-F69 AromaticContact CZ-CE1 3.99Å; F57-F69 HydrophobicContact CZ-CE1 3.99Å; P62-F69 HydrophobicContact CB-CB 4.4Å; P62-F69 HydrophobicContact CB-CD1 4.21Å; F69-F71 HydrophobicContact CB-CD2 4.18Å; F69-F71 HydrophobicContact CB-CE2 3.37Å; F69-F71 HydrophobicContact CB-CZ 3.83Å; F69-F71 HydrophobicContact CG-CE2 4.48Å; F69-F71 WeakPolarHBondContact O-CD2 3.44Å |
| 70 | I | 61.5 | Low | 63.5 | Low | 20 Ų | 20 | 75.5 Ų | 75.5 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.7 | 172.7 | -53.8 | -179.8 | 0 | 0 | 0 | 108.2 | E27 V29 P62 K63 D65 | E27-I70 HydrophobicContact CB-CG2 4.03Å; E27-I70 HydrophobicContact CG-CG2 3.93Å; E27-I70 WeakPolarHBondContact OE1-CG2 3.49Å; V29-I70 HydrophobicContact CG2-CG1 4.45Å; P62-I70 WeakPolarHBondContact CA-O 3.34Å; K63-I70 PolarHBondContact N-O 3.44Å; K63-I70 PolarHBondContact O-N 3.47Å; D65-I70 HydrophobicContact CB-CD1 3.69Å; D65-I70 HydrophobicContact CB-CG1 4.36Å |
| 71 | F | 59.2 | Low | 63.2 | Low | 1 Ų | 1 | 77.6 Ų | 77.6 | 0% | 0.004 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 125.1 | 176.9 | -61.1 | -101.3 | 0 | 0 | 0 | 108.1 | Y28 F30 F36 F57 Y60 P62 F69 | Y28-F71 PolarHBondContact N-O 3.32Å; Y28-F71 WeakPolarHBondContact O-CD2 3.03Å; Y28-F71 PolarHBondContact O-N 2.91Å; F30-F71 HydrophobicContact CB-CE2 4Å; F30-F71 AromaticContact CD2-CD2 3.36Å; F30-F71 HydrophobicContact CD2-CD2 3.36Å; F30-F71 AromaticContact CD2-CE2 3.34Å; F30-F71 HydrophobicContact CD2-CE2 3.34Å; F30-F71 HydrophobicContact CD2-CG 4.37Å; F30-F71 HydrophobicContact CD2-CZ 4.37Å; F30-F71 AromaticContact CE2-CD2 3.89Å; F30-F71 HydrophobicContact CE2-CD2 3.89Å; F30-F71 HydrophobicContact CE2-CE2 4.12Å; F30-F71 HydrophobicContact CG-CD2 4.4Å; F30-F71 AromaticContact CG-CE2 4Å; F30-F71 HydrophobicContact CG-CE2 4Å; F36-F71 HydrophobicContact CB-CZ 4.16Å; F36-F71 HydrophobicContact CD1-CE1 4.46Å; F36-F71 HydrophobicContact CD1-CZ 4.3Å; F36-F71 HydrophobicContact CD2-CD1 4.08Å; F36-F71 HydrophobicContact CD2-CD2 4.21Å; F36-F71 AromaticContact CD2-CE1 3.54Å; F36-F71 HydrophobicContact CD2-CE1 3.54Å; F36-F71 AromaticContact CD2-CE2 3.66Å; F36-F71 HydrophobicContact CD2-CE2 3.66Å; F36-F71 HydrophobicContact CD2-CG 4.4Å; F36-F71 AromaticContact CD2-CZ 3.28Å; F36-F71 HydrophobicContact CD2-CZ 3.28Å; F36-F71 HydrophobicContact CE1-CE1 4.29Å; F36-F71 AromaticContact CE2-CD1 3.6Å; F36-F71 HydrophobicContact CE2-CD1 3.6Å; F36-F71 HydrophobicContact CE2-CD2 4.44Å; F36-F71 AromaticContact CE2-CE1 3.32Å; F36-F71 HydrophobicContact CE2-CE1 3.32Å; F36-F71 HydrophobicContact CE2-CE2 4.18Å; F36-F71 HydrophobicContact CE2-CG 4.16Å; F36-F71 AromaticContact CE2-CZ 3.63Å; F36-F71 HydrophobicContact CE2-CZ 3.63Å; F36-F71 HydrophobicContact CG-CE1 4.12Å; F36-F71 HydrophobicContact CG-CE2 4.27Å; F36-F71 AromaticContact CG-CZ 3.66Å; F36-F71 HydrophobicContact CG-CZ 3.66Å; F36-F71 HydrophobicContact CZ-CD1 4.21Å; F36-F71 AromaticContact CZ-CE1 3.74Å; F36-F71 HydrophobicContact CZ-CE1 3.74Å; F36-F71 HydrophobicContact CZ-CZ 4.27Å; F57-F71 AromaticContact CD2-CE1 3.39Å; F57-F71 HydrophobicContact CD2-CE1 3.39Å; F57-F71 AromaticContact CD2-CZ 3.56Å; F57-F71 HydrophobicContact CD2-CZ 3.56Å; F57-F71 AromaticContact CE2-CE1 3.72Å; F57-F71 HydrophobicContact CE2-CE1 3.72Å; F57-F71 AromaticContact CE2-CZ 3.52Å; F57-F71 HydrophobicContact CE2-CZ 3.52Å; F57-F71 HydrophobicContact CG-CE1 4.16Å; Y60-F71 HydrophobicContact CD1-CB 4.35Å; Y60-F71 HydrophobicContact CG-CB 4.28Å; Y60-F71 HydrophobicContact CG-CD1 4.2Å; P62-F71 HydrophobicContact CB-CD1 3.94Å; P62-F71 HydrophobicContact CB-CE1 3.73Å; P62-F71 HydrophobicContact CB-CE2 4.48Å; P62-F71 HydrophobicContact CB-CG 4.42Å; P62-F71 HydrophobicContact CB-CZ 4.05Å; P62-F71 HydrophobicContact CG-CD1 4.43Å; P62-F71 HydrophobicContact CG-CE1 4Å; F69-F71 HydrophobicContact CB-CD2 4.18Å; F69-F71 HydrophobicContact CB-CE2 3.37Å; F69-F71 HydrophobicContact CB-CZ 3.83Å; F69-F71 HydrophobicContact CG-CE2 4.48Å; F69-F71 WeakPolarHBondContact O-CD2 3.44Å |
| 72 | S | 56.6 | Low | 63.2 | Low | 85 Ų | 85 | 73.8 Ų | 73.8 | 59% | 0.594 | 44% | 0.44 | S | S | * | . | trans | -115 | 0 | -175.4 | -56.9 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 72 of 72 residues in 66.2 ms
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