| 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 | 36.5 | Very low | 53.6 | Low | 181 Ų | 181 | 108.5 Ų | 108.5 | 89% | 0.892 | 57% | 0.571 | S | S | * | * | 0 | 90 | 0 | -162.1 | 174.3 | -163.2 | 0 | 0 | 108 | |||||
| 2 | F | 28.3 | Very low | 55.4 | Low | 197 Ų | 197 | 107 Ų | 107 | 86% | 0.864 | 55% | 0.553 | S | S | * | * | trans | -89.6 | 106.3 | -178.8 | -70 | -86.2 | 0 | 0 | 0 | 108.9 | S4 | F2-S4 PolarHBondContact O-N 3.47Å; F2-S4 VanDerWaalsContact O-N 3.09Å | ||
| 3 | F | 39.1 | Very low | 57.2 | Low | 136 Ų | 136 | 112.5 Ų | 112.5 | 60% | 0.596 | 56% | 0.562 | S | S | * | * | trans | -71.2 | 91.2 | 153.6 | -78.4 | -94.6 | 0 | 0 | 0 | 106.3 | G5 R66 | F3-G5 PolarHBondContact O-N 3.11Å; F3-R66 VanDerWaalsContact CE1-NH1 3.26Å | ||
| 4 | S | 36.3 | Very low | 58.7 | Low | 83 Ų | 83 | 108 Ų | 108 | 58% | 0.58 | 55% | 0.551 | S | S | * | * | trans | -56.9 | 113.3 | 167.9 | -28.7 | 0 | 0 | 0 | 0 | 106.8 | F2 S6 D7 | F2-S4 PolarHBondContact O-N 3.47Å; F2-S4 VanDerWaalsContact O-N 3.09Å; S4-S6 PolarHBondContact O-N 3.3Å; S4-D7 PolarHBondContact O-N 3.41Å | ||
| 5 | G | 44.6 | Very low | 60 | Low | 49 Ų | 49 | 101.4 Ų | 101.4 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -2.6 | -172 | 0 | 0 | 0 | 0 | 0 | 116.2 | F3 | F3-G5 PolarHBondContact O-N 3.11Š|
| 6 | S | 56 | Low | 61.3 | Low | 79 Ų | 79 | 101.1 Ų | 101.1 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 176.5 | 58 | 0 | 0 | 0 | 0 | 113 | S4 T10 | S4-S6 PolarHBondContact O-N 3.3Å; S6-T10 WeakPolarHBondContact O-CB 3.2Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.15Å |
| 7 | D | 67.9 | Low | 62.6 | Low | 82 Ų | 82 | 99.9 Ų | 99.9 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -48.9 | -171.7 | -162.7 | 45 | 0 | 0 | 0 | 110.8 | S4 N9 T10 F11 | S4-D7 PolarHBondContact O-N 3.41Å; D7-N9 PolarHBondContact O-N 3.29Å; D7-T10 WeakPolarHBondContact O-CB 3.12Å; D7-T10 PolarHBondContact O-N 3Å; D7-T10 VanDerWaalsContact O-N 3.12Å; D7-F11 VanDerWaalsContact CG-CE2 3.46Å; D7-F11 WeakPolarHBondContact O-CD2 3.49Å; D7-F11 PolarHBondContact O-N 3.38Å; D7-F11 VanDerWaalsContact OD1-CE2 3.32Å; D7-F11 WeakPolarHBondContact OD1-CE2 3.47Å; D7-F11 WeakPolarHBondContact OD2-CE2 3.46Å |
| 8 | R | 66.4 | Low | 63.4 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 57% | 0.574 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.4 | -44.8 | 178.2 | -159.2 | -173.5 | 62 | 172.8 | 0.8 | 111.9 | T10 F11 Y12 | R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.23Å; R8-F11 PolarHBondContact O-N 2.98Å; R8-Y12 HydrophobicContact CG-CD2 4.02Å; R8-Y12 HydrophobicContact CG-CE2 3.52Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.22Å |
| 9 | N | 71.9 | Confident | 64.3 | Low | 92 Ų | 92 | 92.7 Ų | 92.7 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.5 | -37 | 177.3 | -81.9 | -10.6 | 0 | 0 | 0 | 112.6 | D7 F11 Y12 R13 | D7-N9 PolarHBondContact O-N 3.29Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.33Å; N9-Y12 PolarHBondContact O-N 2.78Å; N9-R13 WeakPolarHBondContact O-CG 3.48Å; N9-R13 PolarHBondContact O-N 3.28Å |
| 10 | T | 73.4 | Confident | 65.3 | Low | 89 Ų | 89 | 95.9 Ų | 95.9 | 55% | 0.546 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | S6 D7 R8 R13 A14 | S6-T10 WeakPolarHBondContact O-CB 3.2Å; S6-T10 PolarHBondContact O-N 3.37Å; S6-T10 PolarHBondContact O-OG1 3.15Å; D7-T10 WeakPolarHBondContact O-CB 3.12Å; D7-T10 PolarHBondContact O-N 3Å; D7-T10 VanDerWaalsContact O-N 3.12Å; R8-T10 VanDerWaalsContact C-N 3.33Å; R8-T10 PolarHBondContact O-N 3.23Å; T10-R13 WeakPolarHBondContact O-CB 3.35Å; T10-R13 PolarHBondContact O-N 3.27Å; T10-A14 PolarHBondContact O-N 2.58Å |
| 11 | F | 69.4 | Low | 66.2 | Low | 54 Ų | 54 | 98.6 Ų | 98.6 | 24% | 0.237 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 176.2 | -71.6 | -61.8 | 0 | 0 | 0 | 113.6 | D7 R8 N9 R13 A14 I15 F59 L62 | D7-F11 VanDerWaalsContact CG-CE2 3.46Å; D7-F11 WeakPolarHBondContact O-CD2 3.49Å; D7-F11 PolarHBondContact O-N 3.38Å; D7-F11 VanDerWaalsContact OD1-CE2 3.32Å; D7-F11 WeakPolarHBondContact OD1-CE2 3.47Å; D7-F11 WeakPolarHBondContact OD2-CE2 3.46Å; R8-F11 PolarHBondContact O-N 2.98Å; N9-F11 VanDerWaalsContact C-N 3.32Å; N9-F11 PolarHBondContact O-N 3.33Å; F11-R13 PolarHBondContact O-N 3.18Å; F11-A14 PolarHBondContact O-N 3.08Å; F11-A14 VanDerWaalsContact O-N 3.12Å; F11-I15 PolarHBondContact O-N 3.02Å; F11-F59 HydrophobicContact CB-CE1 4.08Å; F11-F59 HydrophobicContact CB-CE2 4.25Å; F11-F59 HydrophobicContact CB-CZ 3.54Å; F11-F59 HydrophobicContact CG-CE1 4.45Å; F11-F59 HydrophobicContact CG-CZ 4.34Å; F11-L62 HydrophobicContact CD1-CD1 3.61Å; F11-L62 HydrophobicContact CE1-CD1 3.22Å; F11-L62 HydrophobicContact CE1-CD2 3.86Å; F11-L62 HydrophobicContact CE1-CG 4.19Å; F11-L62 HydrophobicContact CZ-CD1 3.86Å; F11-L62 HydrophobicContact CZ-CD2 3.75Å; F11-L62 HydrophobicContact CZ-CG 4.43Å |
| 12 | Y | 75.2 | Confident | 68.4 | Low | 90 Ų | 90 | 91 Ų | 91 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -55.8 | -43.8 | 172.5 | -77.8 | -67.2 | 0 | 0 | 0 | 111 | R8 N9 A14 I15 L16 F55 | R8-Y12 HydrophobicContact CG-CD2 4.02Å; R8-Y12 HydrophobicContact CG-CE2 3.52Å; R8-Y12 WeakPolarHBondContact O-CD2 3.46Å; R8-Y12 PolarHBondContact O-N 3.22Å; N9-Y12 PolarHBondContact O-N 2.78Å; Y12-A14 PolarHBondContact O-N 3.03Å; Y12-I15 PolarHBondContact O-N 3.27Å; Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.31Å; Y12-F55 AromaticContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CZ 4.01Å; Y12-F55 HydrophobicContact CE1-CD2 4.27Å; Y12-F55 AromaticContact CE1-CE2 3.08Å; Y12-F55 HydrophobicContact CE1-CE2 3.08Å; Y12-F55 AromaticContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE2-CZ 4.49Å; Y12-F55 AromaticContact CZ-CE2 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.52Å |
| 13 | R | 79.1 | Confident | 70.9 | Confident | 179 Ų | 179 | 84.7 Ų | 84.7 | 68% | 0.675 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.8 | -43.1 | 175.5 | -76.4 | -176.8 | 177.2 | -95.1 | 0.4 | 112.4 | N9 T10 F11 I15 L16 D17 | N9-R13 WeakPolarHBondContact O-CG 3.48Å; N9-R13 PolarHBondContact O-N 3.28Å; T10-R13 WeakPolarHBondContact O-CB 3.35Å; T10-R13 PolarHBondContact O-N 3.27Å; F11-R13 PolarHBondContact O-N 3.18Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.41Å; R13-L16 PolarHBondContact O-N 3.06Å; R13-D17 WeakPolarHBondContact O-CB 3.45Å; R13-D17 PolarHBondContact O-N 2.94Å |
| 14 | A | 77.7 | Confident | 73.2 | Confident | 49 Ų | 49 | 85.5 Ų | 85.5 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T10 F11 Y12 D17 A18 | T10-A14 PolarHBondContact O-N 2.58Å; F11-A14 PolarHBondContact O-N 3.08Å; F11-A14 VanDerWaalsContact O-N 3.12Å; Y12-A14 PolarHBondContact O-N 3.03Å; A14-D17 PolarHBondContact O-N 3.23Å; A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.08Å |
| 15 | I | 77.7 | Confident | 75.6 | Confident | 9 Ų | 9 | 86.4 Ų | 86.4 | 5% | 0.046 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66.3 | -45.3 | 175.4 | -66.9 | -180 | 0 | 0 | 0 | 110.7 | F11 Y12 R13 D17 A18 F19 L46 L54 F55 H58 F59 | F11-I15 PolarHBondContact O-N 3.02Å; Y12-I15 PolarHBondContact O-N 3.27Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I15 PolarHBondContact O-N 3.41Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.27Å; I15-A18 PolarHBondContact O-N 2.7Å; I15-F19 WeakPolarHBondContact O-CB 3.47Å; I15-F19 PolarHBondContact O-N 2.88Å; I15-L46 HydrophobicContact CG2-CD1 3.92Å; I15-L54 HydrophobicContact CG2-CB 4.43Å; I15-F55 HydrophobicContact CD1-CD2 3.61Å; I15-F55 HydrophobicContact CD1-CE2 3.93Å; I15-F55 HydrophobicContact CD1-CG 4.35Å; I15-H58 HydrophobicContact CD1-CB 4.34Å; I15-H58 HydrophobicContact CG1-CB 4.42Å; I15-F59 HydrophobicContact CD1-CD2 3.85Å; I15-F59 HydrophobicContact CD1-CE2 3.45Å; I15-F59 VanDerWaalsContact CD1-CE2 3.45Å |
| 16 | L | 81.1 | Confident | 77.5 | Confident | 96 Ų | 96 | 87.3 Ų | 87.3 | 50% | 0.503 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 177 | -69.4 | 171.5 | 0 | 0 | 0 | 111.8 | Y12 R13 F19 R20 L46 | Y12-L16 VanDerWaalsContact O-CG 3.31Å; Y12-L16 WeakPolarHBondContact O-CG 3.32Å; Y12-L16 PolarHBondContact O-N 3.31Å; R13-L16 PolarHBondContact O-N 3.06Å; L16-F19 PolarHBondContact O-N 3.29Å; L16-R20 VanDerWaalsContact O-CB 3.24Å; L16-R20 WeakPolarHBondContact O-CB 3.19Å; L16-R20 PolarHBondContact O-N 3.36Å; L16-L46 HydrophobicContact CD2-CD1 4.23Å |
| 17 | D | 83.3 | Confident | 78.6 | Confident | 82 Ų | 82 | 89.5 Ų | 89.5 | 44% | 0.439 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 174.9 | -80.3 | -21.3 | 0 | 0 | 0 | 112.1 | R13 A14 I15 R20 R21 | R13-D17 WeakPolarHBondContact O-CB 3.45Å; R13-D17 PolarHBondContact O-N 2.94Å; A14-D17 PolarHBondContact O-N 3.23Å; I15-D17 VanDerWaalsContact C-N 3.3Å; I15-D17 PolarHBondContact O-N 3.27Å; D17-R20 PolarHBondContact O-N 2.96Å; D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.46Å |
| 18 | A | 78 | Confident | 79 | Confident | 19 Ų | 19 | 89.5 Ų | 89.5 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.3 | -51.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | A14 I15 R20 R21 D22 | A14-A18 WeakPolarHBondContact O-CB 3.37Å; A14-A18 PolarHBondContact O-N 3.08Å; I15-A18 PolarHBondContact O-N 2.7Å; A18-R20 VanDerWaalsContact C-N 3.3Å; A18-R20 PolarHBondContact O-N 3.27Å; A18-R21 WeakPolarHBondContact O-CB 3.24Å; A18-R21 PolarHBondContact O-N 2.83Å; A18-D22 PolarHBondContact O-N 3.48Å |
| 19 | F | 79.7 | Confident | 79.5 | Confident | 44 Ų | 44 | 85.1 Ų | 85.1 | 19% | 0.193 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -52.5 | -48.6 | 175.4 | -175.7 | -87.2 | 0 | 0 | 0 | 111.4 | I15 L16 R21 D22 C23 R29 V31 L46 | I15-F19 WeakPolarHBondContact O-CB 3.47Å; I15-F19 PolarHBondContact O-N 2.88Å; L16-F19 PolarHBondContact O-N 3.29Å; F19-R21 PolarHBondContact O-N 2.88Å; F19-D22 PolarHBondContact O-N 3.47Å; F19-C23 VanDerWaalsContact CE1-SG 3.52Å; F19-C23 PolarHBondContact O-N 3.22Å; F19-C23 PolarHBondContact O-SG 2.86Å; F19-R29 HydrophobicContact CD2-CB 3.81Å; F19-R29 HydrophobicContact CD2-CG 3.8Å; F19-R29 HydrophobicContact CE2-CB 3.24Å; F19-R29 HydrophobicContact CE2-CG 3.76Å; F19-R29 HydrophobicContact CZ-CB 3.97Å; F19-V31 HydrophobicContact CE2-CG2 3.74Å; F19-V31 HydrophobicContact CZ-CG2 3.66Å; F19-L46 HydrophobicContact CB-CD1 4.4Å; F19-L46 HydrophobicContact CD2-CB 4.38Å; F19-L46 HydrophobicContact CD2-CD1 4.06Å; F19-L46 HydrophobicContact CD2-CD2 3.9Å; F19-L46 HydrophobicContact CD2-CG 4.35Å; F19-L46 HydrophobicContact CE2-CD2 3.7Å; F19-L46 HydrophobicContact CG-CD1 4.31Å; F19-L46 HydrophobicContact CZ-CD2 4.29Å |
| 20 | R | 84.5 | Confident | 80 | Confident | 155 Ų | 155 | 85.2 Ų | 85.2 | 59% | 0.585 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 177.6 | -176.9 | 179.4 | 177.4 | 177 | -0.8 | 112.7 | L16 D17 A18 K24 | L16-R20 VanDerWaalsContact O-CB 3.24Å; L16-R20 WeakPolarHBondContact O-CB 3.19Å; L16-R20 PolarHBondContact O-N 3.36Å; D17-R20 PolarHBondContact O-N 2.96Å; A18-R20 VanDerWaalsContact C-N 3.3Å; A18-R20 PolarHBondContact O-N 3.27Å; R20-K24 PolarHBondContact O-N 3.24Å; R20-K24 VanDerWaalsContact O-N 3.08Å |
| 21 | R | 85 | Confident | 80.5 | Confident | 154 Ų | 154 | 83 Ų | 83 | 58% | 0.581 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.7 | -79.8 | -175.5 | -67.3 | -115.9 | -2.5 | 111.5 | D17 A18 F19 K24 V25 | D17-R21 WeakPolarHBondContact O-CB 3.33Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.46Å; A18-R21 WeakPolarHBondContact O-CB 3.24Å; A18-R21 PolarHBondContact O-N 2.83Å; F19-R21 PolarHBondContact O-N 2.88Å; R21-K24 WeakPolarHBondContact O-CB 3.41Å; R21-K24 PolarHBondContact O-N 2.84Å; R21-V25 PolarHBondContact O-N 3.41Å |
| 22 | D | 81.1 | Confident | 81.3 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 12% | 0.118 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 178.3 | -67.2 | -62.7 | 0 | 0 | 0 | 112.2 | A18 F19 K24 V25 G26 K27 R29 | A18-D22 PolarHBondContact O-N 3.48Å; F19-D22 PolarHBondContact O-N 3.47Å; D22-K24 PolarHBondContact O-N 2.86Å; D22-V25 WeakPolarHBondContact O-CG2 3.4Å; D22-V25 PolarHBondContact O-N 2.92Å; D22-V25 VanDerWaalsContact O-N 3.11Å; D22-G26 PolarHBondContact O-N 3.43Å; D22-K27 HydrophobicContact CB-CB 4.02Å; D22-K27 HydrophobicContact CB-CD 4.39Å; D22-K27 WeakPolarHBondContact O-CB 3.24Å; D22-K27 PolarHBondContact O-N 2.81Å; D22-K27 IonicContact OD1-NZ 3.91Å; D22-R29 HydrophobicContact CB-CG 4.34Å; D22-R29 IonicContact OD1-NH2 3.62Å; D22-R29 IonicContact OD2-CZ 3.17Å; D22-R29 IonicContact OD2-NE 3.08Å; D22-R29 PolarHBondContact OD2-NE 2.72Å; D22-R29 VanDerWaalsContact OD2-NE 3.08Å; D22-R29 IonicContact OD2-NH2 2.58Å; D22-R29 PolarHBondContact OD2-NH2 3.1Å |
| 23 | C | 82.1 | Confident | 81.6 | Confident | 63 Ų | 63 | 86.4 Ų | 86.4 | 43% | 0.426 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -59.2 | -37.1 | 174.9 | -63 | 0 | 0 | 0 | 0 | 111.9 | F19 V25 G26 | F19-C23 VanDerWaalsContact CE1-SG 3.52Å; F19-C23 PolarHBondContact O-N 3.22Å; F19-C23 PolarHBondContact O-SG 2.86Å; C23-V25 VanDerWaalsContact C-N 3.32Å; C23-V25 PolarHBondContact O-N 3.43Å; C23-G26 PolarHBondContact O-N 2.82Å |
| 24 | K | 87.3 | Confident | 81.7 | Confident | 154 Ų | 154 | 80.1 Ų | 80.1 | 67% | 0.67 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.8 | -30.8 | 176.9 | -83.3 | -173.9 | 173.3 | -172 | 0 | 114 | R20 R21 D22 G26 | R20-K24 PolarHBondContact O-N 3.24Å; R20-K24 VanDerWaalsContact O-N 3.08Å; R21-K24 WeakPolarHBondContact O-CB 3.41Å; R21-K24 PolarHBondContact O-N 2.84Å; D22-K24 PolarHBondContact O-N 2.86Å; K24-G26 VanDerWaalsContact C-N 3.29Å |
| 25 | V | 87.1 | Confident | 81.5 | Confident | 102 Ų | 102 | 86 Ų | 86 | 62% | 0.618 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 12.9 | 178.1 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | R21 D22 C23 K27 | R21-V25 PolarHBondContact O-N 3.41Å; D22-V25 WeakPolarHBondContact O-CG2 3.4Å; D22-V25 PolarHBondContact O-N 2.92Å; D22-V25 VanDerWaalsContact O-N 3.11Å; C23-V25 VanDerWaalsContact C-N 3.32Å; C23-V25 PolarHBondContact O-N 3.43Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 HydrophobicContact CG2-CB 4.44Å; V25-K27 HydrophobicContact CG2-CD 3.98Å; V25-K27 HydrophobicContact CG2-CG 3.98Å; V25-K27 PolarHBondContact O-N 3.05Å |
| 26 | G | 82.9 | Confident | 80.9 | Confident | 67 Ų | 67 | 87.8 Ų | 87.8 | 69% | 0.691 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 12.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D22 C23 K24 | D22-G26 PolarHBondContact O-N 3.43Å; C23-G26 PolarHBondContact O-N 2.82Å; K24-G26 VanDerWaalsContact C-N 3.29Å |
| 27 | K | 80 | Confident | 80.3 | Confident | 125 Ų | 125 | 88.9 Ų | 88.9 | 54% | 0.543 | 47% | 0.474 | S | S | . | . | trans | -80.3 | 128.2 | 174.1 | -71.4 | 176.7 | -176.6 | 178.6 | 0 | 110 | D22 V25 | D22-K27 HydrophobicContact CB-CB 4.02Å; D22-K27 HydrophobicContact CB-CD 4.39Å; D22-K27 WeakPolarHBondContact O-CB 3.24Å; D22-K27 PolarHBondContact O-N 2.81Å; D22-K27 IonicContact OD1-NZ 3.91Å; V25-K27 VanDerWaalsContact C-N 3.31Å; V25-K27 HydrophobicContact CG2-CB 4.44Å; V25-K27 HydrophobicContact CG2-CD 3.98Å; V25-K27 HydrophobicContact CG2-CG 3.98Å; V25-K27 PolarHBondContact O-N 3.05Å | ||
| 28 | S | 76.3 | Confident | 79.3 | Confident | 82 Ų | 82 | 89.2 Ų | 89.2 | 57% | 0.573 | 48% | 0.479 | S | S | * | . | trans | -73.6 | 150.2 | 169.9 | -55.8 | 0 | 0 | 0 | 0 | 110.5 | M49 | S28-M49 VanDerWaalsContact C-SD 3.57Å; S28-M49 WeakPolarHBondContact O-CG 3.16Å | ||
| 29 | R | 77.4 | Confident | 79.1 | Confident | 60 Ų | 60 | 95.7 Ų | 95.7 | 23% | 0.226 | 51% | 0.511 | C | S | . | . | trans | -135.9 | 145.7 | 176.6 | -70.2 | -100.6 | 176.1 | -139.8 | 3.2 | 107.2 | F19 D22 Y47 | F19-R29 HydrophobicContact CD2-CB 3.81Å; F19-R29 HydrophobicContact CD2-CG 3.8Å; F19-R29 HydrophobicContact CE2-CB 3.24Å; F19-R29 HydrophobicContact CE2-CG 3.76Å; F19-R29 HydrophobicContact CZ-CB 3.97Å; D22-R29 HydrophobicContact CB-CG 4.34Å; D22-R29 IonicContact OD1-NH2 3.62Å; D22-R29 IonicContact OD2-CZ 3.17Å; D22-R29 IonicContact OD2-NE 3.08Å; D22-R29 PolarHBondContact OD2-NE 2.72Å; D22-R29 VanDerWaalsContact OD2-NE 3.08Å; D22-R29 IonicContact OD2-NH2 2.58Å; D22-R29 PolarHBondContact OD2-NH2 3.1Å; R29-Y47 WeakPolarHBondContact CD-O 3.37Å | ||
| 30 | L | 81.9 | Confident | 79 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 138.4 | 174.2 | -135.4 | 100.4 | 0 | 0 | 0 | 109.4 | Y47 | L30-Y47 HydrophobicContact CB-CD2 4.17Å; L30-Y47 HydrophobicContact CB-CG 4.38Å; L30-Y47 HydrophobicContact CD2-CD2 4.32Å; L30-Y47 PolarHBondContact N-O 3.25Å; L30-Y47 PolarHBondContact O-N 3.47Å |
| 31 | V | 83.7 | Confident | 78.4 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 118.6 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | F19 F33 V44 N45 L46 | F19-V31 HydrophobicContact CE2-CG2 3.74Å; F19-V31 HydrophobicContact CZ-CG2 3.66Å; V31-F33 HydrophobicContact CG1-CE1 4.26Å; V31-F33 HydrophobicContact CG1-CE2 4.16Å; V31-F33 HydrophobicContact CG1-CZ 3.98Å; V31-V44 HydrophobicContact CG1-CB 3.86Å; V31-V44 HydrophobicContact CG1-CG1 3.99Å; V31-V44 HydrophobicContact CG1-CG2 4.44Å; V31-N45 WeakPolarHBondContact CA-O 3.41Å; V31-L46 HydrophobicContact CB-CD2 4.36Å; V31-L46 HydrophobicContact CG1-CD2 4.01Å; V31-L46 HydrophobicContact CG2-CD2 3.73Å |
| 32 | N | 85.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 91.6 Ų | 91.6 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 125.8 | 165 | -89.6 | -1.9 | 0 | 0 | 0 | 108.9 | V44 N45 Y47 | N32-V44 CarbonylContact O-C 3.52Å; N32-V44 VanDerWaalsContact O-CA 3.27Å; N32-V44 WeakPolarHBondContact O-CA 3.4Å; N32-N45 HydrophobicContact CB-CB 4.37Å; N32-N45 PolarHBondContact N-O 2.96Å; N32-N45 PolarHBondContact O-N 3.12Å; N32-Y47 HydrophobicContact CB-CE2 4.08Å |
| 33 | F | 82.9 | Confident | 77.8 | Confident | 131 Ų | 131 | 92.9 Ų | 92.9 | 58% | 0.575 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 129.2 | 169.7 | -59.5 | -86.4 | 0 | 0 | 0 | 108.1 | V31 L42 V44 | V31-F33 HydrophobicContact CG1-CE1 4.26Å; V31-F33 HydrophobicContact CG1-CE2 4.16Å; V31-F33 HydrophobicContact CG1-CZ 3.98Å; F33-L42 HydrophobicContact CD1-CD1 4.02Å; F33-L42 HydrophobicContact CD1-CD2 3.8Å; F33-L42 HydrophobicContact CD1-CG 4.07Å; F33-L42 HydrophobicContact CE1-CD2 3.75Å; F33-L42 HydrophobicContact CE1-CG 4.5Å; F33-V44 HydrophobicContact CD1-CG1 3.43Å; F33-V44 VanDerWaalsContact CD1-CG1 3.43Å; F33-V44 HydrophobicContact CE1-CG1 3.72Å; F33-V44 HydrophobicContact CG-CG1 4.26Å |
| 34 | C | 81.2 | Confident | 77.6 | Confident | 48 Ų | 48 | 92.4 Ų | 92.4 | 32% | 0.324 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 136.3 | 170.5 | -60.7 | 0 | 0 | 0 | 0 | 108.2 | G36 S43 | C34-G36 PolarHBondContact O-N 3.18Å; C34-S43 PolarHBondContact N-O 3.31Å |
| 35 | D | 74 | Confident | 77.4 | Confident | 171 Ų | 171 | 88.1 Ų | 88.1 | 91% | 0.914 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -64.6 | 128.3 | 176.9 | -71.4 | -36.5 | 0 | 0 | 0 | 110.3 | ||
| 36 | G | 64.6 | Low | 77.1 | Confident | 47 Ų | 47 | 84.2 Ų | 84.2 | 49% | 0.485 | 49% | 0.493 | S | S | . | . | S | Bend | trans | 100.6 | 108 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C34 T38 | C34-G36 PolarHBondContact O-N 3.18Å; G36-T38 PolarHBondContact O-N 2.72Å; G36-T38 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 67.4 | Low | 77.1 | Confident | 120 Ų | 120 | 83.2 Ų | 83.2 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | trans | -64 | 110.1 | 156 | -91.5 | 96.4 | 0 | 0 | 0 | 107.2 | L42 | L37-L42 HydrophobicContact CD1-CD1 4.24Š| ||
| 38 | T | 62.7 | Low | 76.9 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 55% | 0.546 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -94.8 | 119 | 171.4 | -42.3 | 0 | 0 | 0 | 0 | 106.6 | G36 G40 I41 | G36-T38 PolarHBondContact O-N 2.72Å; G36-T38 VanDerWaalsContact O-N 3.07Å; T38-G40 VanDerWaalsContact C-N 3.27Å; T38-G40 PolarHBondContact O-N 2.92Å; T38-I41 PolarHBondContact N-O 3.42Å; T38-I41 WeakPolarHBondContact O-CB 3.31Å; T38-I41 PolarHBondContact O-N 2.8Å |
| 39 | D | 74 | Confident | 76.8 | Confident | 155 Ų | 155 | 80 Ų | 80 | 83% | 0.829 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 35.8 | 178.9 | -58.5 | -29.1 | 0 | 0 | 0 | 115.3 | I41 | D39-I41 PolarHBondContact O-N 3.04Š|
| 40 | G | 76.9 | Confident | 76.9 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 66% | 0.66 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.9 | 5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T38 | T38-G40 VanDerWaalsContact C-N 3.27Å; T38-G40 PolarHBondContact O-N 2.92Å |
| 41 | I | 73.4 | Confident | 76.6 | Confident | 110 Ų | 110 | 81.3 Ų | 81.3 | 56% | 0.564 | 47% | 0.472 | S | S | * | . | B | Isolated β-bridge | trans | -94.5 | 118.7 | 177.3 | -55.6 | 176.9 | 0 | 0 | 0 | 108.8 | T38 D39 S43 | T38-I41 PolarHBondContact N-O 3.42Å; T38-I41 WeakPolarHBondContact O-CB 3.31Å; T38-I41 PolarHBondContact O-N 2.8Å; D39-I41 PolarHBondContact O-N 3.04Å; I41-S43 PolarHBondContact O-N 3.32Å |
| 42 | L | 73 | Confident | 76.4 | Confident | 93 Ų | 93 | 82.1 Ų | 82.1 | 49% | 0.487 | 48% | 0.479 | S | S | . | . | trans | -79.1 | 110.9 | 169.6 | -173.8 | 66.1 | 0 | 0 | 0 | 109.2 | F33 L37 V44 | F33-L42 HydrophobicContact CD1-CD1 4.02Å; F33-L42 HydrophobicContact CD1-CD2 3.8Å; F33-L42 HydrophobicContact CD1-CG 4.07Å; F33-L42 HydrophobicContact CE1-CD2 3.75Å; F33-L42 HydrophobicContact CE1-CG 4.5Å; L37-L42 HydrophobicContact CD1-CD1 4.24Å; L42-V44 HydrophobicContact CD2-CG1 4.36Å; L42-V44 HydrophobicContact CG-CG1 4.12Å | ||
| 43 | S | 79.1 | Confident | 76.1 | Confident | 49 Ų | 49 | 80 Ų | 80 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | trans | -88 | 131.1 | 175.9 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | C34 I41 | C34-S43 PolarHBondContact N-O 3.31Å; I41-S43 PolarHBondContact O-N 3.32Å | ||
| 44 | V | 79.2 | Confident | 75.6 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 32% | 0.315 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145 | -179.7 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | V31 N32 F33 L42 L46 | V31-V44 HydrophobicContact CG1-CB 3.86Å; V31-V44 HydrophobicContact CG1-CG1 3.99Å; V31-V44 HydrophobicContact CG1-CG2 4.44Å; N32-V44 CarbonylContact O-C 3.52Å; N32-V44 VanDerWaalsContact O-CA 3.27Å; N32-V44 WeakPolarHBondContact O-CA 3.4Å; F33-V44 HydrophobicContact CD1-CG1 3.43Å; F33-V44 VanDerWaalsContact CD1-CG1 3.43Å; F33-V44 HydrophobicContact CE1-CG1 3.72Å; F33-V44 HydrophobicContact CG-CG1 4.26Å; L42-V44 HydrophobicContact CD2-CG1 4.36Å; L42-V44 HydrophobicContact CG-CG1 4.12Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.3Å |
| 45 | N | 81.7 | Confident | 75.2 | Confident | 64 Ų | 64 | 75 Ų | 75 | 34% | 0.342 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 127.2 | 167.3 | -65.6 | -35.6 | 0 | 0 | 0 | 108.8 | V31 N32 Y47 | V31-N45 WeakPolarHBondContact CA-O 3.41Å; N32-N45 HydrophobicContact CB-CB 4.37Å; N32-N45 PolarHBondContact N-O 2.96Å; N32-N45 PolarHBondContact O-N 3.12Å; N45-Y47 HydrophobicContact CB-CE2 3.61Å |
| 46 | L | 81.6 | Confident | 74.8 | Confident | 20 Ų | 20 | 73.1 Ų | 73.1 | 11% | 0.105 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.3 | -177.6 | -57.3 | 175.7 | 0 | 0 | 0 | 109.4 | I15 L16 F19 V31 V44 L54 | I15-L46 HydrophobicContact CG2-CD1 3.92Å; L16-L46 HydrophobicContact CD2-CD1 4.23Å; F19-L46 HydrophobicContact CB-CD1 4.4Å; F19-L46 HydrophobicContact CD2-CB 4.38Å; F19-L46 HydrophobicContact CD2-CD1 4.06Å; F19-L46 HydrophobicContact CD2-CD2 3.9Å; F19-L46 HydrophobicContact CD2-CG 4.35Å; F19-L46 HydrophobicContact CE2-CD2 3.7Å; F19-L46 HydrophobicContact CG-CD1 4.31Å; F19-L46 HydrophobicContact CZ-CD2 4.29Å; V31-L46 HydrophobicContact CB-CD2 4.36Å; V31-L46 HydrophobicContact CG1-CD2 4.01Å; V31-L46 HydrophobicContact CG2-CD2 3.73Å; V44-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG2-CG 4.3Å; L46-L54 HydrophobicContact CB-CB 4.41Å; L46-L54 HydrophobicContact CB-CD1 3.99Å; L46-L54 WeakPolarHBondContact O-CB 3.44Å; L46-L54 PolarHBondContact O-N 2.77Å |
| 47 | Y | 81.6 | Confident | 74.9 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 18% | 0.18 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 154.6 | 179.4 | -51.4 | -100.6 | 0 | 0 | 0 | 111.4 | R29 L30 N32 N45 G51 C52 D53 | R29-Y47 WeakPolarHBondContact CD-O 3.37Å; L30-Y47 HydrophobicContact CB-CD2 4.17Å; L30-Y47 HydrophobicContact CB-CG 4.38Å; L30-Y47 HydrophobicContact CD2-CD2 4.32Å; L30-Y47 PolarHBondContact N-O 3.25Å; L30-Y47 PolarHBondContact O-N 3.47Å; N32-Y47 HydrophobicContact CB-CE2 4.08Å; N45-Y47 HydrophobicContact CB-CE2 3.61Å; Y47-G51 WeakPolarHBondContact CD1-O 3.26Å; Y47-C52 CarbonylContact C-O 3.53Å; Y47-C52 VanDerWaalsContact CA-O 3.24Å; Y47-C52 WeakPolarHBondContact CA-O 3.38Å; Y47-D53 HydrophobicContact CD1-CB 3.97Å; Y47-D53 HydrophobicContact CE1-CB 3.89Å |
| 48 | N | 75.8 | Confident | 74.6 | Confident | 10 Ų | 10 | 75.2 Ų | 75.2 | 5% | 0.053 | 42% | 0.422 | C | S | . | . | trans | -74.9 | 171.5 | 162.1 | 73.6 | -4.8 | 0 | 0 | 0 | 111.6 | D50 G51 C52 L54 | N48-D50 PolarHBondContact ND2-OD2 3.36Å; N48-D50 PolarHBondContact O-N 2.98Å; N48-D50 WeakPolarHBondContact OD1-CA 3.02Å; N48-D50 PolarHBondContact OD1-N 3.26Å; N48-G51 PolarHBondContact O-N 3.46Å; N48-G51 PolarHBondContact OD1-N 3.36Å; N48-G51 VanDerWaalsContact OD1-N 3.15Å; N48-C52 PolarHBondContact N-O 3.49Å; N48-C52 WeakPolarHBondContact OD1-CA 3.27Å; N48-C52 WeakPolarHBondContact OD1-CB 3.47Å; N48-C52 PolarHBondContact OD1-N 3.44Å; N48-C52 PolarHBondContact OD1-O 3.34Å; N48-L54 HydrophobicContact CB-CD2 4.21Å | ||
| 49 | M | 74.4 | Confident | 74.7 | Confident | 129 Ų | 129 | 72 Ų | 72 | 64% | 0.635 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.3 | 176.8 | -73.1 | -62.6 | -67.9 | 0 | 0 | 113.1 | S28 G51 | S28-M49 VanDerWaalsContact C-SD 3.57Å; S28-M49 WeakPolarHBondContact O-CG 3.16Å; M49-G51 PolarHBondContact O-N 3.49Å |
| 50 | D | 79.3 | Confident | 74.3 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 71% | 0.706 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | 4.8 | 175.2 | -39.5 | -59.4 | 0 | 0 | 0 | 112.2 | N48 C52 | N48-D50 PolarHBondContact ND2-OD2 3.36Å; N48-D50 PolarHBondContact O-N 2.98Å; N48-D50 WeakPolarHBondContact OD1-CA 3.02Å; N48-D50 PolarHBondContact OD1-N 3.26Å; D50-C52 PolarHBondContact O-N 2.93Å |
| 51 | G | 77 | Confident | 73.8 | Confident | 50 Ų | 50 | 68.6 Ų | 68.6 | 52% | 0.515 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 74.3 | 7.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y47 N48 M49 | Y47-G51 WeakPolarHBondContact CD1-O 3.26Å; N48-G51 PolarHBondContact O-N 3.46Å; N48-G51 PolarHBondContact OD1-N 3.36Å; N48-G51 VanDerWaalsContact OD1-N 3.15Å; M49-G51 PolarHBondContact O-N 3.49Å |
| 52 | C | 78.1 | Confident | 73.3 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 41% | 0.412 | 36% | 0.362 | S | S | . | . | trans | -77 | 127.2 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | Y47 N48 D50 L54 | Y47-C52 CarbonylContact C-O 3.53Å; Y47-C52 VanDerWaalsContact CA-O 3.24Å; Y47-C52 WeakPolarHBondContact CA-O 3.38Å; N48-C52 PolarHBondContact N-O 3.49Å; N48-C52 WeakPolarHBondContact OD1-CA 3.27Å; N48-C52 WeakPolarHBondContact OD1-CB 3.47Å; N48-C52 PolarHBondContact OD1-N 3.44Å; N48-C52 PolarHBondContact OD1-O 3.34Å; D50-C52 PolarHBondContact O-N 2.93Å; C52-L54 PolarHBondContact O-N 3.36Å | ||
| 53 | D | 80.4 | Confident | 73.1 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 21% | 0.214 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -60.3 | 121.4 | 171.8 | -174.5 | -28.6 | 0 | 0 | 0 | 110 | Y47 F55 L56 K57 | Y47-D53 HydrophobicContact CD1-CB 3.97Å; Y47-D53 HydrophobicContact CE1-CB 3.89Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 VanDerWaalsContact OD1-CA 3.26Å; D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 2.91Å; D53-L56 HydrophobicContact CB-CB 3.84Å; D53-L56 PolarHBondContact O-N 2.82Å; D53-L56 PolarHBondContact OD1-N 2.89Å; D53-K57 WeakPolarHBondContact O-CB 3.23Å; D53-K57 PolarHBondContact O-N 3.38Å |
| 54 | L | 71.8 | Confident | 72.7 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.5 | -28.7 | -179.9 | -70.4 | 172.6 | 0 | 0 | 0 | 112.2 | I15 L46 N48 C52 H58 | I15-L54 HydrophobicContact CG2-CB 4.43Å; L46-L54 HydrophobicContact CB-CB 4.41Å; L46-L54 HydrophobicContact CB-CD1 3.99Å; L46-L54 WeakPolarHBondContact O-CB 3.44Å; L46-L54 PolarHBondContact O-N 2.77Å; N48-L54 HydrophobicContact CB-CD2 4.21Å; C52-L54 PolarHBondContact O-N 3.36Å; L54-H58 WeakPolarHBondContact O-CB 3.48Å; L54-H58 PolarHBondContact O-CD2 3.04Å; L54-H58 PolarHBondContact O-N 3.36Å; L54-H58 VanDerWaalsContact O-N 3.1Å |
| 55 | F | 72.4 | Confident | 72.4 | Confident | 66 Ų | 66 | 77.2 Ų | 77.2 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.9 | -55 | 168.8 | -139.2 | -96.4 | 0 | 0 | 0 | 109 | Y12 I15 D53 K57 H58 F59 | Y12-F55 AromaticContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CE2 3.5Å; Y12-F55 HydrophobicContact CD1-CZ 4.01Å; Y12-F55 HydrophobicContact CE1-CD2 4.27Å; Y12-F55 AromaticContact CE1-CE2 3.08Å; Y12-F55 HydrophobicContact CE1-CE2 3.08Å; Y12-F55 AromaticContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE1-CZ 3.27Å; Y12-F55 HydrophobicContact CE2-CZ 4.49Å; Y12-F55 AromaticContact CZ-CE2 3.86Å; Y12-F55 AromaticContact CZ-CZ 3.52Å; I15-F55 HydrophobicContact CD1-CD2 3.61Å; I15-F55 HydrophobicContact CD1-CE2 3.93Å; I15-F55 HydrophobicContact CD1-CG 4.35Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 VanDerWaalsContact OD1-CA 3.26Å; D53-F55 WeakPolarHBondContact OD1-CA 3.31Å; D53-F55 WeakPolarHBondContact OD1-CB 3.49Å; D53-F55 PolarHBondContact OD1-N 2.91Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.38Å; F55-H58 PolarHBondContact O-N 3.12Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CD1-CB 4.25Å; F55-F59 AromaticContact CD1-CD2 3.29Å; F55-F59 HydrophobicContact CD1-CD2 3.29Å; F55-F59 AromaticContact CD1-CE2 3.69Å; F55-F59 HydrophobicContact CD1-CE2 3.69Å; F55-F59 AromaticContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CZ 4.44Å; F55-F59 AromaticContact CD2-CD2 3.84Å; F55-F59 HydrophobicContact CD2-CD2 3.84Å; F55-F59 AromaticContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CE1-CB 4.49Å; F55-F59 AromaticContact CE1-CD1 3.98Å; F55-F59 HydrophobicContact CE1-CD1 3.98Å; F55-F59 AromaticContact CE1-CD2 3.29Å; F55-F59 HydrophobicContact CE1-CD2 3.29Å; F55-F59 AromaticContact CE1-CE1 3.95Å; F55-F59 HydrophobicContact CE1-CE1 3.95Å; F55-F59 AromaticContact CE1-CE2 3.27Å; F55-F59 HydrophobicContact CE1-CE2 3.27Å; F55-F59 AromaticContact CE1-CG 3.65Å; F55-F59 HydrophobicContact CE1-CG 3.65Å; F55-F59 AromaticContact CE1-CZ 3.6Å; F55-F59 HydrophobicContact CE1-CZ 3.6Å; F55-F59 AromaticContact CE2-CD2 3.79Å; F55-F59 HydrophobicContact CE2-CD2 3.79Å; F55-F59 AromaticContact CE2-CE2 3.14Å; F55-F59 HydrophobicContact CE2-CE2 3.14Å; F55-F59 AromaticContact CE2-CZ 3.75Å; F55-F59 HydrophobicContact CE2-CZ 3.75Å; F55-F59 AromaticContact CG-CD2 3.59Å; F55-F59 HydrophobicContact CG-CD2 3.59Å; F55-F59 AromaticContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CG 4.47Å; F55-F59 HydrophobicContact CZ-CD1 4.42Å; F55-F59 AromaticContact CZ-CD2 3.56Å; F55-F59 HydrophobicContact CZ-CD2 3.56Å; F55-F59 AromaticContact CZ-CE1 3.95Å; F55-F59 HydrophobicContact CZ-CE1 3.95Å; F55-F59 AromaticContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CG 4.24Å; F55-F59 AromaticContact CZ-CZ 3.2Å; F55-F59 HydrophobicContact CZ-CZ 3.2Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.34Å |
| 56 | L | 67.3 | Low | 71.7 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 69% | 0.686 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.8 | -39.6 | -178.1 | -150.7 | 83.4 | 0 | 0 | 0 | 112.4 | D53 G60 | D53-L56 HydrophobicContact CB-CB 3.84Å; D53-L56 PolarHBondContact O-N 2.82Å; D53-L56 PolarHBondContact OD1-N 2.89Å; L56-G60 VanDerWaalsContact O-CA 3.31Å; L56-G60 WeakPolarHBondContact O-CA 3.39Å; L56-G60 PolarHBondContact O-N 2.99Å |
| 57 | K | 66 | Low | 71.5 | Confident | 124 Ų | 124 | 82.7 Ų | 82.7 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.3 | -173.7 | 176.6 | -177.6 | 172.6 | 0 | 112.5 | D53 F55 | D53-K57 WeakPolarHBondContact O-CB 3.23Å; D53-K57 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.31Å; F55-K57 PolarHBondContact O-N 3.38Å |
| 58 | H | 61.1 | Low | 71.3 | Confident | 88 Ų | 88 | 84.8 Ų | 84.8 | 41% | 0.407 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -85.2 | -41.6 | -178.6 | -75.3 | -53 | 0 | 0 | 0 | 112.7 | I15 L54 F55 L62 | I15-H58 HydrophobicContact CD1-CB 4.34Å; I15-H58 HydrophobicContact CG1-CB 4.42Å; L54-H58 WeakPolarHBondContact O-CB 3.48Å; L54-H58 PolarHBondContact O-CD2 3.04Å; L54-H58 PolarHBondContact O-N 3.36Å; L54-H58 VanDerWaalsContact O-N 3.1Å; F55-H58 PolarHBondContact O-N 3.12Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å |
| 59 | F | 64.1 | Low | 71.4 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 10% | 0.096 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -76.1 | -31.6 | 179.1 | -79.4 | -92.2 | 0 | 0 | 0 | 113.2 | F11 I15 F55 E61 L62 F63 | F11-F59 HydrophobicContact CB-CE1 4.08Å; F11-F59 HydrophobicContact CB-CE2 4.25Å; F11-F59 HydrophobicContact CB-CZ 3.54Å; F11-F59 HydrophobicContact CG-CE1 4.45Å; F11-F59 HydrophobicContact CG-CZ 4.34Å; I15-F59 HydrophobicContact CD1-CD2 3.85Å; I15-F59 HydrophobicContact CD1-CE2 3.45Å; I15-F59 VanDerWaalsContact CD1-CE2 3.45Å; F55-F59 HydrophobicContact CB-CD2 4.39Å; F55-F59 HydrophobicContact CD1-CB 4.25Å; F55-F59 AromaticContact CD1-CD2 3.29Å; F55-F59 HydrophobicContact CD1-CD2 3.29Å; F55-F59 AromaticContact CD1-CE2 3.69Å; F55-F59 HydrophobicContact CD1-CE2 3.69Å; F55-F59 AromaticContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CG 3.77Å; F55-F59 HydrophobicContact CD1-CZ 4.44Å; F55-F59 AromaticContact CD2-CD2 3.84Å; F55-F59 HydrophobicContact CD2-CD2 3.84Å; F55-F59 AromaticContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CD2-CE2 3.61Å; F55-F59 HydrophobicContact CE1-CB 4.49Å; F55-F59 AromaticContact CE1-CD1 3.98Å; F55-F59 HydrophobicContact CE1-CD1 3.98Å; F55-F59 AromaticContact CE1-CD2 3.29Å; F55-F59 HydrophobicContact CE1-CD2 3.29Å; F55-F59 AromaticContact CE1-CE1 3.95Å; F55-F59 HydrophobicContact CE1-CE1 3.95Å; F55-F59 AromaticContact CE1-CE2 3.27Å; F55-F59 HydrophobicContact CE1-CE2 3.27Å; F55-F59 AromaticContact CE1-CG 3.65Å; F55-F59 HydrophobicContact CE1-CG 3.65Å; F55-F59 AromaticContact CE1-CZ 3.6Å; F55-F59 HydrophobicContact CE1-CZ 3.6Å; F55-F59 AromaticContact CE2-CD2 3.79Å; F55-F59 HydrophobicContact CE2-CD2 3.79Å; F55-F59 AromaticContact CE2-CE2 3.14Å; F55-F59 HydrophobicContact CE2-CE2 3.14Å; F55-F59 AromaticContact CE2-CZ 3.75Å; F55-F59 HydrophobicContact CE2-CZ 3.75Å; F55-F59 AromaticContact CG-CD2 3.59Å; F55-F59 HydrophobicContact CG-CD2 3.59Å; F55-F59 AromaticContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CE2 3.86Å; F55-F59 HydrophobicContact CG-CG 4.47Å; F55-F59 HydrophobicContact CZ-CD1 4.42Å; F55-F59 AromaticContact CZ-CD2 3.56Å; F55-F59 HydrophobicContact CZ-CD2 3.56Å; F55-F59 AromaticContact CZ-CE1 3.95Å; F55-F59 HydrophobicContact CZ-CE1 3.95Å; F55-F59 AromaticContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CE2 2.98Å; F55-F59 HydrophobicContact CZ-CG 4.24Å; F55-F59 AromaticContact CZ-CZ 3.2Å; F55-F59 HydrophobicContact CZ-CZ 3.2Å; F55-F59 WeakPolarHBondContact O-CA 3.36Å; F55-F59 WeakPolarHBondContact O-CB 3.45Å; F55-F59 WeakPolarHBondContact O-CD2 3.43Å; F55-F59 PolarHBondContact O-N 3.34Å; F59-E61 PolarHBondContact O-N 3.46Å; F59-L62 PolarHBondContact O-N 3.47Å; F59-F63 HydrophobicContact CB-CD2 4.13Å; F59-F63 HydrophobicContact CD1-CD2 4.12Å; F59-F63 AromaticContact CD1-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 3.87Å; F59-F63 WeakPolarHBondContact O-CB 3.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.1Å; F59-F63 PolarHBondContact O-N 2.7Å |
| 60 | G | 65.6 | Low | 71.5 | Confident | 34 Ų | 34 | 84.7 Ų | 84.7 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L56 R64 | L56-G60 VanDerWaalsContact O-CA 3.31Å; L56-G60 WeakPolarHBondContact O-CA 3.39Å; L56-G60 PolarHBondContact O-N 2.99Å; G60-R64 WeakPolarHBondContact O-CB 3.33Å; G60-R64 PolarHBondContact O-N 3Å |
| 61 | E | 66.6 | Low | 71.5 | Confident | 113 Ų | 113 | 84.2 Ų | 84.2 | 53% | 0.528 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 174.8 | -84 | -91.6 | 133.4 | 0 | 0 | 112.5 | F59 R64 K65 | F59-E61 PolarHBondContact O-N 3.46Å; E61-R64 PolarHBondContact O-N 3.26Å; E61-K65 PolarHBondContact O-N 3.5Å |
| 62 | L | 64.1 | Low | 71.7 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 36% | 0.356 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -70 | -43.6 | -178.5 | -90.9 | 157.9 | 0 | 0 | 0 | 112.7 | F11 H58 F59 R64 K65 R66 | F11-L62 HydrophobicContact CD1-CD1 3.61Å; F11-L62 HydrophobicContact CE1-CD1 3.22Å; F11-L62 HydrophobicContact CE1-CD2 3.86Å; F11-L62 HydrophobicContact CE1-CG 4.19Å; F11-L62 HydrophobicContact CZ-CD1 3.86Å; F11-L62 HydrophobicContact CZ-CD2 3.75Å; F11-L62 HydrophobicContact CZ-CG 4.43Å; H58-L62 WeakPolarHBondContact O-CD1 3.32Å; F59-L62 PolarHBondContact O-N 3.47Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.78Å; L62-K65 PolarHBondContact O-N 3.48Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.48Å |
| 63 | F | 67.2 | Low | 71.8 | Confident | 132 Ų | 132 | 94.9 Ų | 94.9 | 58% | 0.579 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.5 | -43.7 | 172.2 | -95.6 | -81.8 | 0 | 0 | 0 | 110.3 | F59 K65 R66 E67 | F59-F63 HydrophobicContact CB-CD2 4.13Å; F59-F63 HydrophobicContact CD1-CD2 4.12Å; F59-F63 AromaticContact CD1-CE2 3.87Å; F59-F63 HydrophobicContact CD1-CE2 3.87Å; F59-F63 WeakPolarHBondContact O-CB 3.03Å; F59-F63 WeakPolarHBondContact O-CD2 3.1Å; F59-F63 PolarHBondContact O-N 2.7Å; F63-K65 PolarHBondContact O-N 2.87Å; F63-R66 PolarHBondContact O-N 3.04Å; F63-E67 VanDerWaalsContact O-CB 3.23Å; F63-E67 WeakPolarHBondContact O-CB 3.45Å; F63-E67 PolarHBondContact O-N 3.42Å |
| 64 | R | 70.8 | Confident | 71.7 | Confident | 155 Ų | 155 | 99.6 Ų | 99.6 | 59% | 0.585 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -59.3 | -48.6 | 175.7 | -116 | -178.5 | 67.3 | 145.8 | -1.1 | 112.7 | G60 E61 L62 E67 Q68 | G60-R64 WeakPolarHBondContact O-CB 3.33Å; G60-R64 PolarHBondContact O-N 3Å; E61-R64 PolarHBondContact O-N 3.26Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 2.78Å; R64-E67 PolarHBondContact O-N 2.89Å; R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 WeakPolarHBondContact O-CG 3.28Å; R64-Q68 PolarHBondContact O-N 3.25Å |
| 65 | K | 73.4 | Confident | 72.1 | Confident | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.4 | -41.3 | -180 | -80.4 | -179.1 | -178.8 | 171.9 | 0 | 111.7 | E61 L62 F63 Q68 A69 | E61-K65 PolarHBondContact O-N 3.5Å; L62-K65 PolarHBondContact O-N 3.48Å; F63-K65 PolarHBondContact O-N 2.87Å; K65-Q68 PolarHBondContact O-N 3.46Å; K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 2.88Å |
| 66 | R | 67.9 | Low | 72.3 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -47.7 | 176.5 | -179.5 | 177.3 | 171.9 | 167.1 | -2 | 111.2 | F3 L62 F63 Q68 A69 E70 | F3-R66 VanDerWaalsContact CE1-NH1 3.26Å; L62-R66 WeakPolarHBondContact O-CB 3.37Å; L62-R66 PolarHBondContact O-N 3.48Å; F63-R66 PolarHBondContact O-N 3.04Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 2.91Å; R66-A69 PolarHBondContact O-N 3.49Å; R66-A69 VanDerWaalsContact O-N 3.1Å; R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 WeakPolarHBondContact O-CB 3.23Å; R66-E70 PolarHBondContact O-N 3.44Å |
| 67 | E | 75.7 | Confident | 72.7 | Confident | 105 Ų | 105 | 99.4 Ų | 99.4 | 49% | 0.491 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 178.4 | -162.2 | -166.1 | -174.3 | 0 | 0 | 110.7 | F63 R64 E70 R71 | F63-E67 VanDerWaalsContact O-CB 3.23Å; F63-E67 WeakPolarHBondContact O-CB 3.45Å; F63-E67 PolarHBondContact O-N 3.42Å; R64-E67 PolarHBondContact O-N 2.89Å; E67-E70 PolarHBondContact O-N 2.81Å; E67-R71 VanDerWaalsContact O-CB 3.23Å; E67-R71 WeakPolarHBondContact O-CB 3.33Å; E67-R71 PolarHBondContact O-N 2.9Å; E67-R71 IonicContact OE1-CZ 3.97Å; E67-R71 IonicContact OE1-NH2 2.78Å; E67-R71 PolarHBondContact OE1-NH2 3.07Å; E67-R71 IonicContact OE2-NH2 3.42Å; E67-R71 PolarHBondContact OE2-NH2 3.28Å |
| 68 | Q | 79 | Confident | 72.9 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 172.3 | -81.3 | -176.3 | -29.2 | 0 | 0 | 112.9 | R64 K65 R66 E70 R71 Q72 | R64-Q68 WeakPolarHBondContact O-CB 3.38Å; R64-Q68 WeakPolarHBondContact O-CG 3.28Å; R64-Q68 PolarHBondContact O-N 3.25Å; K65-Q68 PolarHBondContact O-N 3.46Å; R66-Q68 VanDerWaalsContact C-N 3.27Å; R66-Q68 PolarHBondContact O-N 2.91Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.39Å; Q68-R71 PolarHBondContact O-N 2.89Å; Q68-Q72 WeakPolarHBondContact O-CB 3.41Å; Q68-Q72 WeakPolarHBondContact O-CG 3.33Å; Q68-Q72 PolarHBondContact O-N 3.36Å |
| 69 | A | 76.6 | Confident | 73.1 | Confident | 47 Ų | 47 | 104.1 Ų | 104.1 | 39% | 0.388 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | K65 R66 Q72 R73 | K65-A69 WeakPolarHBondContact O-CB 3.43Å; K65-A69 PolarHBondContact O-N 2.88Å; R66-A69 PolarHBondContact O-N 3.49Å; R66-A69 VanDerWaalsContact O-N 3.1Å; A69-Q72 PolarHBondContact O-N 3Å; A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 WeakPolarHBondContact O-CG 3.45Å; A69-R73 PolarHBondContact O-N 2.93Å |
| 70 | E | 77.4 | Confident | 72.8 | Confident | 90 Ų | 90 | 113.1 Ų | 113.1 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 178.1 | -152.5 | 154.3 | -165.3 | 0 | 0 | 110.7 | R66 E67 Q68 R73 K74 | R66-E70 IonicContact NE-OE2 3.66Å; R66-E70 WeakPolarHBondContact O-CB 3.23Å; R66-E70 PolarHBondContact O-N 3.44Å; E67-E70 PolarHBondContact O-N 2.81Å; Q68-E70 VanDerWaalsContact C-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.39Å; E70-R73 PolarHBondContact O-N 3.1Å; E70-K74 WeakPolarHBondContact O-CB 3.32Å; E70-K74 PolarHBondContact O-N 3.28Å |
| 71 | R | 79.5 | Confident | 72.4 | Confident | 121 Ų | 121 | 113.8 Ų | 113.8 | 46% | 0.457 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 172 | -154.1 | 177.1 | -71.8 | 144 | -3.3 | 111.3 | E67 Q68 R73 K74 E75 | E67-R71 VanDerWaalsContact O-CB 3.23Å; E67-R71 WeakPolarHBondContact O-CB 3.33Å; E67-R71 PolarHBondContact O-N 2.9Å; E67-R71 IonicContact OE1-CZ 3.97Å; E67-R71 IonicContact OE1-NH2 2.78Å; E67-R71 PolarHBondContact OE1-NH2 3.07Å; E67-R71 IonicContact OE2-NH2 3.42Å; E67-R71 PolarHBondContact OE2-NH2 3.28Å; Q68-R71 PolarHBondContact O-N 2.89Å; R71-R73 PolarHBondContact O-N 3.43Å; R71-K74 PolarHBondContact O-N 2.91Å; R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 3.18Å |
| 72 | Q | 81.1 | Confident | 71.9 | Confident | 133 Ų | 133 | 110.8 Ų | 110.8 | 62% | 0.621 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -40.8 | 174 | -77.8 | -179.1 | -0.2 | 0 | 0 | 112.7 | Q68 A69 K74 E75 A76 | Q68-Q72 WeakPolarHBondContact O-CB 3.41Å; Q68-Q72 WeakPolarHBondContact O-CG 3.33Å; Q68-Q72 PolarHBondContact O-N 3.36Å; A69-Q72 PolarHBondContact O-N 3Å; Q72-K74 VanDerWaalsContact C-N 3.35Å; Q72-E75 PolarHBondContact O-N 3.45Å; Q72-A76 VanDerWaalsContact O-CB 3.28Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.36Å |
| 73 | R | 79 | Confident | 71.6 | Confident | 203 Ų | 203 | 114.1 Ų | 114.1 | 77% | 0.766 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 175 | -82.8 | -178.1 | 170.2 | -177.1 | -2.5 | 111.7 | A69 E70 R71 A76 A77 | A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 WeakPolarHBondContact O-CG 3.45Å; A69-R73 PolarHBondContact O-N 2.93Å; E70-R73 PolarHBondContact O-N 3.1Å; R71-R73 PolarHBondContact O-N 3.43Å; R73-A76 PolarHBondContact O-N 2.92Å; R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.36Å |
| 74 | K | 79.2 | Confident | 71 | Confident | 138 Ų | 138 | 112.8 Ų | 112.8 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 177.9 | -166.4 | 176.4 | 178.4 | -178.2 | 0 | 111.5 | E70 R71 Q72 A76 A77 E78 | E70-K74 WeakPolarHBondContact O-CB 3.32Å; E70-K74 PolarHBondContact O-N 3.28Å; R71-K74 PolarHBondContact O-N 2.91Å; Q72-K74 VanDerWaalsContact C-N 3.35Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.09Å; K74-A77 PolarHBondContact O-N 2.9Å; K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 3.32Å |
| 75 | E | 80.8 | Confident | 70.4 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 175.1 | -72.7 | 174 | -162.2 | 0 | 0 | 112.5 | R71 Q72 R79 | R71-E75 WeakPolarHBondContact O-CG 3.49Å; R71-E75 PolarHBondContact O-N 3.18Å; Q72-E75 PolarHBondContact O-N 3.45Å; E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 WeakPolarHBondContact O-CG 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å |
| 76 | A | 76.6 | Confident | 69.7 | Low | 60 Ų | 60 | 113.1 Ų | 113.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q72 R73 K74 R80 | Q72-A76 VanDerWaalsContact O-CB 3.28Å; Q72-A76 WeakPolarHBondContact O-CB 3.46Å; Q72-A76 PolarHBondContact O-N 3.36Å; R73-A76 PolarHBondContact O-N 2.92Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-A76 PolarHBondContact O-N 3.09Å; A76-R80 PolarHBondContact O-N 3.46Å; A76-R80 VanDerWaalsContact O-N 3.14Å |
| 77 | A | 75.5 | Confident | 69.5 | Low | 50 Ų | 50 | 114.9 Ų | 114.9 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | R73 K74 R79 R80 N81 | R73-A77 WeakPolarHBondContact O-CB 3.38Å; R73-A77 PolarHBondContact O-N 3.36Å; K74-A77 PolarHBondContact O-N 2.9Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.02Å; A77-R80 WeakPolarHBondContact O-CB 3.43Å; A77-R80 PolarHBondContact O-N 3.39Å; A77-N81 PolarHBondContact O-N 3.42Å |
| 78 | E | 69.3 | Low | 68.9 | Low | 117 Ų | 117 | 114.2 Ų | 114.2 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 176.8 | -77.1 | 176.8 | -171.5 | 0 | 0 | 112.3 | K74 R80 N81 | K74-E78 WeakPolarHBondContact O-CG 3.49Å; K74-E78 PolarHBondContact O-N 3.32Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.26Å; E78-N81 PolarHBondContact O-N 3.14Å |
| 79 | R | 65.8 | Low | 68 | Low | 193 Ų | 193 | 112.5 Ų | 112.5 | 73% | 0.728 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.1 | -28.1 | 174.6 | -74.3 | 178.6 | -176.1 | 172.1 | 5.6 | 113.2 | E75 A77 N81 | E75-R79 WeakPolarHBondContact O-CB 3.44Å; E75-R79 WeakPolarHBondContact O-CG 3.42Å; E75-R79 PolarHBondContact O-N 2.8Å; A77-R79 VanDerWaalsContact C-N 3.32Å; A77-R79 PolarHBondContact O-N 3.02Å; R79-N81 VanDerWaalsContact C-N 3.34Å |
| 80 | R | 58.6 | Low | 66.9 | Low | 212 Ų | 212 | 114.2 Ų | 114.2 | 80% | 0.8 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -75.2 | -25.5 | 179.5 | -147 | 178.1 | -172.7 | 180 | 0.7 | 112.5 | A76 A77 E78 V82 | A76-R80 PolarHBondContact O-N 3.46Å; A76-R80 VanDerWaalsContact O-N 3.14Å; A77-R80 WeakPolarHBondContact O-CB 3.43Å; A77-R80 PolarHBondContact O-N 3.39Å; E78-R80 VanDerWaalsContact C-N 3.28Å; E78-R80 PolarHBondContact O-N 3.26Å; R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 2.89Å |
| 81 | N | 56.9 | Low | 65.8 | Low | 47 Ų | 47 | 115.2 Ų | 115.2 | 25% | 0.251 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.5 | 1.9 | 178.8 | -70.7 | -11.1 | 0 | 0 | 0 | 114 | A77 E78 R79 L94 D96 | A77-N81 PolarHBondContact O-N 3.42Å; E78-N81 PolarHBondContact O-N 3.14Å; R79-N81 VanDerWaalsContact C-N 3.34Å; N81-L94 PolarHBondContact O-N 2.98Å; N81-D96 PolarHBondContact ND2-OD1 3.02Å |
| 82 | V | 56.3 | Low | 64.9 | Low | 50 Ų | 50 | 113.2 Ų | 113.2 | 30% | 0.303 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 100.9 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | R80 L91 R93 | R80-V82 VanDerWaalsContact C-N 3.27Å; R80-V82 PolarHBondContact O-N 2.89Å; V82-L91 HydrophobicContact CG1-CB 4.4Å; V82-L91 HydrophobicContact CG1-CD2 3.24Å; V82-L91 HydrophobicContact CG1-CG 3.66Å; V82-R93 HydrophobicContact CG2-CG 4.42Å |
| 83 | K | 57.2 | Low | 63.8 | Low | 139 Ų | 139 | 117 Ų | 117 | 60% | 0.604 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 125.1 | 166.4 | -75.2 | -176.8 | 179.7 | 172.2 | 0 | 108.5 | I92 L94 | K83-I92 PolarHBondContact N-O 2.82Å; K83-I92 VanDerWaalsContact N-O 3.17Å; K83-I92 PolarHBondContact O-N 3.06Å; K83-L94 HydrophobicContact CD-CD1 4.17Å |
| 84 | L | 54.9 | Low | 62.7 | Low | 104 Ų | 104 | 111.4 Ų | 111.4 | 55% | 0.545 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.8 | 170.2 | -168.1 | 84 | 0 | 0 | 0 | 107.9 | R86 L91 | L84-R86 PolarHBondContact O-N 3.33Å; L84-L91 HydrophobicContact CD1-CD1 3.69Å; L84-L91 HydrophobicContact CD1-CG 4.22Å |
| 85 | D | 57.5 | Low | 61.4 | Low | 50 Ų | 50 | 109.8 Ų | 109.8 | 27% | 0.267 | 55% | 0.553 | S | S | . | * | trans | -71.9 | 112.2 | 169.1 | -177.7 | -10.4 | 0 | 0 | 0 | 108.6 | T87 T88 G89 T90 I92 | D85-T87 PolarHBondContact O-N 3.15Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.41Å; D85-T87 PolarHBondContact OD1-N 3.37Å; D85-T87 PolarHBondContact OD1-OG1 2.99Å; D85-T88 WeakPolarHBondContact CB-OG1 3.31Å; D85-T88 PolarHBondContact OD2-OG1 2.87Å; D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 3.26Å; D85-T90 PolarHBondContact N-O 3.24Å; D85-T90 VanDerWaalsContact N-O 3.15Å; D85-I92 HydrophobicContact CB-CD1 3.89Å; D85-I92 HydrophobicContact CB-CG1 4.38Å | ||
| 86 | R | 58 | Low | 60.1 | Low | 242 Ų | 242 | 111.5 Ų | 111.5 | 91% | 0.913 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -13.6 | -178.5 | -79.3 | -177 | 168.6 | 168.8 | -3.6 | 113.7 | L84 | L84-R86 PolarHBondContact O-N 3.33Š|
| 87 | T | 64.5 | Low | 58.8 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 80% | 0.798 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -32.9 | -177.2 | -19.6 | 0 | 0 | 0 | 0 | 111.6 | D85 | D85-T87 PolarHBondContact O-N 3.15Å; D85-T87 VanDerWaalsContact OD1-CB 3.31Å; D85-T87 WeakPolarHBondContact OD1-CB 3.41Å; D85-T87 PolarHBondContact OD1-N 3.37Å; D85-T87 PolarHBondContact OD1-OG1 2.99Å |
| 88 | T | 63.4 | Low | 57.5 | Low | 92 Ų | 92 | 116 Ų | 116 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -13.9 | -176.2 | 50.2 | 0 | 0 | 0 | 0 | 113.9 | D85 T90 | D85-T88 WeakPolarHBondContact CB-OG1 3.31Å; D85-T88 PolarHBondContact OD2-OG1 2.87Å; T88-T90 PolarHBondContact O-N 2.75Å |
| 89 | G | 59.6 | Low | 56.6 | Low | 53 Ų | 53 | 117.9 Ų | 117.9 | 55% | 0.546 | 59% | 0.593 | S | S | . | * | trans | 74.8 | 3.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | D85 | D85-G89 WeakPolarHBondContact O-CA 3.46Å; D85-G89 PolarHBondContact O-N 3.26Å | ||
| 90 | T | 53.4 | Low | 56 | Low | 84 Ų | 84 | 116.7 Ų | 116.7 | 52% | 0.515 | 60% | 0.596 | S | S | . | * | trans | -87.6 | 135.2 | -175.5 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | D85 T88 I92 | D85-T90 PolarHBondContact N-O 3.24Å; D85-T90 VanDerWaalsContact N-O 3.15Å; T88-T90 PolarHBondContact O-N 2.75Å; T90-I92 PolarHBondContact O-N 3.17Å | ||
| 91 | L | 55.3 | Low | 55.7 | Low | 110 Ų | 110 | 111.4 Ų | 111.4 | 58% | 0.576 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -72 | 115.4 | 169.5 | -98.5 | 89.7 | 0 | 0 | 0 | 109.6 | V82 L84 | V82-L91 HydrophobicContact CG1-CB 4.4Å; V82-L91 HydrophobicContact CG1-CD2 3.24Å; V82-L91 HydrophobicContact CG1-CG 3.66Å; L84-L91 HydrophobicContact CD1-CD1 3.69Å; L84-L91 HydrophobicContact CD1-CG 4.22Å |
| 92 | I | 60.2 | Low | 55.4 | Low | 79 Ų | 79 | 114.8 Ų | 114.8 | 41% | 0.405 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.7 | 112.7 | 171.7 | -52.5 | 178.5 | 0 | 0 | 0 | 107.7 | K83 D85 T90 | K83-I92 PolarHBondContact N-O 2.82Å; K83-I92 VanDerWaalsContact N-O 3.17Å; K83-I92 PolarHBondContact O-N 3.06Å; D85-I92 HydrophobicContact CB-CD1 3.89Å; D85-I92 HydrophobicContact CB-CG1 4.38Å; T90-I92 PolarHBondContact O-N 3.17Å |
| 93 | R | 57.5 | Low | 55.1 | Low | 213 Ų | 213 | 117 Ų | 117 | 80% | 0.804 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 110.4 | 166 | -72.9 | -171.2 | 178.1 | -154.1 | -1.1 | 107.6 | V82 | V82-R93 HydrophobicContact CG2-CG 4.42Å |
| 94 | L | 56.6 | Low | 54.6 | Low | 85 Ų | 85 | 117.7 Ų | 117.7 | 45% | 0.445 | 63% | 0.634 | S | S | . | * | trans | -76.1 | 134.2 | 171.8 | -74.8 | 163.4 | 0 | 0 | 0 | 108.7 | N81 K83 | N81-L94 PolarHBondContact O-N 2.98Å; K83-L94 HydrophobicContact CD-CD1 4.17Å | ||
| 95 | P | 51.7 | Low | 54.1 | Low | 104 Ų | 104 | 120.5 Ų | 120.5 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | trans | -59.9 | 139.2 | 171.8 | -13.6 | 26.8 | 0 | 0 | 0 | 109.1 | L97 | P95-L97 PolarHBondContact O-N 2.96Š| ||
| 96 | D | 52.7 | Low | 53.4 | Low | 127 Ų | 127 | 128 Ų | 128 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | trans | -61.9 | 105.5 | 167.9 | -105.6 | -18.9 | 0 | 0 | 0 | 107.3 | N81 S98 | N81-D96 PolarHBondContact ND2-OD1 3.02Å; D96-S98 PolarHBondContact O-N 3.07Å | ||
| 97 | L | 49 | Very low | 53.2 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | trans | -72.3 | 98.9 | 166.3 | -66.8 | 170.6 | 0 | 0 | 0 | 106 | P95 D101 | P95-L97 PolarHBondContact O-N 2.96Å; L97-D101 HydrophobicContact CD2-CB 4.46Å | ||
| 98 | S | 48.6 | Very low | 52.6 | Low | 69 Ų | 69 | 121.9 Ų | 121.9 | 48% | 0.483 | 68% | 0.679 | S | S | . | * | trans | -61.1 | 145.1 | 162 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | D96 E100 D101 | D96-S98 PolarHBondContact O-N 3.07Å; S98-E100 PolarHBondContact O-N 3.16Å; S98-D101 PolarHBondContact O-N 2.78Å; S98-D101 VanDerWaalsContact O-N 3.16Å | ||
| 99 | D | 50.7 | Low | 52 | Low | 156 Ų | 156 | 123.6 Ų | 123.6 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -53.7 | -7.6 | 179.9 | -70.1 | -38.2 | 0 | 0 | 0 | 115 | ||
| 100 | E | 53.5 | Low | 51.5 | Low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -70.2 | -23.4 | 175.3 | -68.7 | -99.4 | 132.9 | 0 | 0 | 114 | S98 V102 | S98-E100 PolarHBondContact O-N 3.16Å; E100-V102 PolarHBondContact O-N 3.46Å |
| 101 | D | 51.6 | Low | 51.4 | Low | 102 Ų | 102 | 130.4 Ų | 130.4 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -85.9 | -4.1 | -173 | -73.6 | -38.3 | 0 | 0 | 0 | 114.9 | L97 S98 S103 | L97-D101 HydrophobicContact CD2-CB 4.46Å; S98-D101 PolarHBondContact O-N 2.78Å; S98-D101 VanDerWaalsContact O-N 3.16Å; D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 3.41Å |
| 102 | V | 51.2 | Low | 51.2 | Low | 117 Ų | 117 | 131.8 Ų | 131.8 | 71% | 0.709 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -81.4 | -6.2 | -178.7 | -170 | 0 | 0 | 0 | 0 | 112.3 | E100 | E100-V102 PolarHBondContact O-N 3.46Š|
| 103 | S | 50.9 | Low | 50.5 | Low | 97 Ų | 97 | 135.6 Ų | 135.6 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -89.6 | -3.9 | -173.2 | -60.7 | 0 | 0 | 0 | 0 | 115.8 | D101 | D101-S103 VanDerWaalsContact C-N 3.26Å; D101-S103 PolarHBondContact O-N 3.41Å |
| 104 | N | 45.7 | Very low | 50 | Low | 154 Ų | 154 | 129.6 Ų | 129.6 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -117.8 | 22.4 | -176.2 | -82.3 | -12.9 | 0 | 0 | 0 | 114.9 | ||
| 105 | L | 43.5 | Very low | 49.4 | Very low | 162 Ų | 162 | 133.3 Ų | 133.3 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | -124.8 | 59.5 | 173.2 | -118.6 | 99.2 | 0 | 0 | 0 | 111.9 | ||||
| 106 | T | 43.9 | Very low | 49.2 | Very low | 208 Ų | 208 | 136 Ų | 136 | 100% | 1.276 | 76% | 0.761 | S | S | * | * | trans | -148.4 | 0 | 159.3 | 12.9 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 106 of 106 residues in 59.5 ms
(Link to these results)