| 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 | 45.5 | Very low | 83.5 | Confident | 242 Ų | 242 | 143.1 Ų | 143.1 | 100% | 1.192 | 70% | 0.7 | S | S | * | * | 0 | 112.4 | 0 | -78.3 | 173.7 | 169.9 | 0 | 0 | 108.1 | A3 | M1-A3 PolarHBondContact O-N 2.89Š| |||
| 2 | N | 58.2 | Low | 84.5 | Confident | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 66% | 0.663 | S | S | * | * | trans | -85.8 | 97.7 | 170.3 | -89.4 | -28.5 | 0 | 0 | 0 | 107.8 | K4 | N2-K4 PolarHBondContact O-N 3.04Å; N2-K4 VanDerWaalsContact O-N 3.12Å | ||
| 3 | A | 71.1 | Confident | 85.4 | Confident | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | trans | -71.8 | 103.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | M1 | M1-A3 PolarHBondContact O-N 2.89Š| ||
| 4 | K | 85.3 | Confident | 86.1 | Confident | 200 Ų | 200 | 127.6 Ų | 127.6 | 87% | 0.87 | 63% | 0.633 | S | S | * | * | trans | -74.7 | 127.3 | 170.2 | -66 | -176.4 | -179.4 | 179.9 | 0 | 108.2 | N2 | N2-K4 PolarHBondContact O-N 3.04Å; N2-K4 VanDerWaalsContact O-N 3.12Å | ||
| 5 | K | 89.8 | Confident | 86.6 | Confident | 181 Ų | 181 | 124.9 Ų | 124.9 | 79% | 0.787 | 62% | 0.62 | S | S | * | * | trans | -111.5 | 143.1 | 172.1 | -64.7 | -175.8 | 179 | -176.8 | 0 | 108.5 | ||||
| 6 | I | 92.7 | Very high | 87.1 | Confident | 98 Ų | 98 | 123.6 Ų | 123.6 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | trans | -126.4 | 126 | 177.6 | -61.2 | 178.3 | 0 | 0 | 0 | 106.3 | Q10 F11 | I6-Q10 HydrophobicContact CG2-CB 3.79Å; I6-F11 HydrophobicContact CG2-CB 3.98Å | ||
| 7 | E | 95.7 | Very high | 87.5 | Confident | 127 Ų | 127 | 120.3 Ų | 120.3 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | trans | -78.8 | 155.3 | 173.2 | -64.3 | -59.4 | 149.9 | 0 | 0 | 110.4 | E9 Q10 F11 | E7-E9 VanDerWaalsContact C-N 3.26Å; E7-E9 PolarHBondContact O-N 3.17Å; E7-Q10 HydrophobicContact CB-CG 4.31Å; E7-Q10 WeakPolarHBondContact O-CA 3.34Å; E7-Q10 WeakPolarHBondContact O-CB 3.42Å; E7-Q10 PolarHBondContact O-N 3Å; E7-F11 PolarHBondContact O-N 3.22Å | ||
| 8 | F | 94.8 | Very high | 87.7 | Confident | 128 Ų | 128 | 120.4 Ų | 120.4 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -54.9 | -42.3 | -178.6 | 178.8 | -102.3 | 0 | 0 | 0 | 112.8 | Q10 F11 L12 | F8-Q10 PolarHBondContact O-N 2.88Å; F8-Q10 VanDerWaalsContact O-N 3.17Å; F8-F11 PolarHBondContact O-N 2.96Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD1 4.41Å; F8-L12 PolarHBondContact O-N 2.99Å |
| 9 | E | 96 | Very high | 87.8 | Confident | 143 Ų | 143 | 118.8 Ų | 118.8 | 67% | 0.668 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.1 | -22.9 | 177.1 | -59.6 | -55.7 | 146.1 | 0 | 0 | 113.3 | E7 P13 | E7-E9 VanDerWaalsContact C-N 3.26Å; E7-E9 PolarHBondContact O-N 3.17Å; E9-P13 WeakPolarHBondContact O-CD 3.33Å |
| 10 | Q | 93.8 | Very high | 87.9 | Confident | 103 Ų | 103 | 119 Ų | 119 | 48% | 0.481 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -87.9 | -32.8 | 174.5 | -61.2 | 175 | -36 | 0 | 0 | 111.6 | I6 E7 F8 P13 M14 | I6-Q10 HydrophobicContact CG2-CB 3.79Å; E7-Q10 HydrophobicContact CB-CG 4.31Å; E7-Q10 WeakPolarHBondContact O-CA 3.34Å; E7-Q10 WeakPolarHBondContact O-CB 3.42Å; E7-Q10 PolarHBondContact O-N 3Å; F8-Q10 PolarHBondContact O-N 2.88Å; F8-Q10 VanDerWaalsContact O-N 3.17Å; Q10-P13 WeakPolarHBondContact O-CD 3.41Å; Q10-P13 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 WeakPolarHBondContact O-CG 3.44Å |
| 11 | F | 95.6 | Very high | 88 | Confident | 100 Ų | 100 | 117.1 Ų | 117.1 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.3 | -41.1 | 178.1 | 177.9 | -99.2 | 0 | 0 | 0 | 112.6 | I6 E7 F8 M14 M15 | I6-F11 HydrophobicContact CG2-CB 3.98Å; E7-F11 PolarHBondContact O-N 3.22Å; F8-F11 PolarHBondContact O-N 2.96Å; F11-M14 WeakPolarHBondContact O-CA 3.46Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.4Å; F11-M15 HydrophobicContact CD1-CB 4.44Å; F11-M15 HydrophobicContact CE1-CB 3.97Å; F11-M15 HydrophobicContact CE1-CG 4.35Å; F11-M15 HydrophobicContact CE1-SD 3.82Å; F11-M15 HydrophobicContact CZ-CB 4.26Å; F11-M15 HydrophobicContact CZ-SD 4.41Å; F11-M15 PolarHBondContact O-N 2.96Å |
| 12 | L | 96 | Very high | 89.7 | Confident | 49 Ų | 49 | 114.8 Ų | 114.8 | 26% | 0.257 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -51.5 | -49.9 | -177.3 | -176.7 | 61.8 | 0 | 0 | 0 | 113.8 | F8 M14 M15 Q16 | F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD1 4.41Å; F8-L12 PolarHBondContact O-N 2.99Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; L12-M15 HydrophobicContact CD1-CE 3.87Å; L12-M15 PolarHBondContact O-N 2.86Å; L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 3.12Å |
| 13 | P | 95.3 | Very high | 91 | Very high | 67 Ų | 67 | 114 Ų | 114 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.5 | -30.1 | 177.3 | 25.3 | -34.7 | 0 | 0 | 0 | 113.1 | E9 Q10 Q16 A17 | E9-P13 WeakPolarHBondContact O-CD 3.33Å; Q10-P13 WeakPolarHBondContact O-CD 3.41Å; Q10-P13 WeakPolarHBondContact O-CG 3.47Å; P13-Q16 PolarHBondContact O-N 3.47Å; P13-A17 WeakPolarHBondContact O-CB 3.39Å; P13-A17 PolarHBondContact O-N 3.01Å |
| 14 | M | 95.4 | Very high | 91.6 | Very high | 96 Ų | 96 | 116.4 Ų | 116.4 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.4 | -45.6 | 174.3 | -58.3 | 177.1 | -173.4 | 0 | 0 | 110.6 | Q10 F11 L12 A17 I18 | Q10-M14 WeakPolarHBondContact O-CG 3.44Å; F11-M14 WeakPolarHBondContact O-CA 3.46Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.4Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; M14-A17 PolarHBondContact O-N 3.08Å; M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.29Å; M14-I18 VanDerWaalsContact O-N 3.08Å |
| 15 | M | 94.1 | Very high | 91.8 | Very high | 88 Ų | 88 | 108.6 Ų | 108.6 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -41.7 | 176.9 | -173.6 | 179 | 68.7 | 0 | 0 | 111.8 | F11 L12 A17 I18 S19 | F11-M15 HydrophobicContact CD1-CB 4.44Å; F11-M15 HydrophobicContact CE1-CB 3.97Å; F11-M15 HydrophobicContact CE1-CG 4.35Å; F11-M15 HydrophobicContact CE1-SD 3.82Å; F11-M15 HydrophobicContact CZ-CB 4.26Å; F11-M15 HydrophobicContact CZ-SD 4.41Å; F11-M15 PolarHBondContact O-N 2.96Å; L12-M15 HydrophobicContact CD1-CE 3.87Å; L12-M15 PolarHBondContact O-N 2.86Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.49Å; M15-I18 PolarHBondContact O-N 3.34Å; M15-S19 VanDerWaalsContact O-CB 3.29Å; M15-S19 WeakPolarHBondContact O-CB 3.31Å; M15-S19 PolarHBondContact O-N 3.36Å |
| 16 | Q | 94.8 | Very high | 92 | Very high | 103 Ų | 103 | 101.3 Ų | 101.3 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.7 | -74.1 | 176 | -9.3 | 0 | 0 | 112.1 | L12 P13 N20 | L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 3.12Å; P13-Q16 PolarHBondContact O-N 3.47Å; Q16-N20 WeakPolarHBondContact O-CB 3.29Å; Q16-N20 VanDerWaalsContact O-CG 3.27Å; Q16-N20 PolarHBondContact O-N 3.29Å; Q16-N20 VanDerWaalsContact O-N 3.07Å; Q16-N20 PolarHBondContact O-ND2 3.15Å |
| 17 | A | 93.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 99.8 Ų | 99.8 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P13 M14 M15 N21 | P13-A17 WeakPolarHBondContact O-CB 3.39Å; P13-A17 PolarHBondContact O-N 3.01Å; M14-A17 PolarHBondContact O-N 3.08Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.49Å; A17-N21 PolarHBondContact O-N 2.93Å |
| 18 | I | 91.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 100.9 Ų | 100.9 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.9 | -44.9 | 178.5 | -64.5 | 166.1 | 0 | 0 | 0 | 110.8 | M14 M15 N20 N21 | M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.29Å; M14-I18 VanDerWaalsContact O-N 3.08Å; M15-I18 PolarHBondContact O-N 3.34Å; I18-N20 VanDerWaalsContact C-N 3.27Å; I18-N20 PolarHBondContact O-N 3.07Å; I18-N21 VanDerWaalsContact O-CB 3.25Å; I18-N21 WeakPolarHBondContact O-CB 3.36Å; I18-N21 PolarHBondContact O-N 2.72Å; I18-N21 VanDerWaalsContact O-N 3.14Å |
| 19 | S | 89.6 | Confident | 92.2 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.4 | -27.3 | -178.7 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | M15 N21 | M15-S19 VanDerWaalsContact O-CB 3.29Å; M15-S19 WeakPolarHBondContact O-CB 3.31Å; M15-S19 PolarHBondContact O-N 3.36Å; S19-N21 VanDerWaalsContact C-N 3.34Å |
| 20 | N | 89.9 | Confident | 92.1 | Very high | 121 Ų | 121 | 97.4 Ų | 97.4 | 65% | 0.647 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.6 | 177.9 | -70.6 | -40.2 | 0 | 0 | 0 | 112.9 | Q16 I18 K22 | Q16-N20 WeakPolarHBondContact O-CB 3.29Å; Q16-N20 VanDerWaalsContact O-CG 3.27Å; Q16-N20 PolarHBondContact O-N 3.29Å; Q16-N20 VanDerWaalsContact O-N 3.07Å; Q16-N20 PolarHBondContact O-ND2 3.15Å; I18-N20 VanDerWaalsContact C-N 3.27Å; I18-N20 PolarHBondContact O-N 3.07Å; N20-K22 PolarHBondContact O-N 3.15Å |
| 21 | N | 88.9 | Confident | 92.3 | Very high | 80 Ų | 80 | 92.9 Ų | 92.9 | 43% | 0.428 | 49% | 0.492 | S | S | . | . | trans | -67.4 | 120.3 | 175.9 | -170.5 | -4.7 | 0 | 0 | 0 | 109.6 | A17 I18 S19 D23 | A17-N21 PolarHBondContact O-N 2.93Å; I18-N21 VanDerWaalsContact O-CB 3.25Å; I18-N21 WeakPolarHBondContact O-CB 3.36Å; I18-N21 PolarHBondContact O-N 2.72Å; I18-N21 VanDerWaalsContact O-N 3.14Å; S19-N21 VanDerWaalsContact C-N 3.34Å; N21-D23 WeakPolarHBondContact OD1-CB 3.25Å; N21-D23 PolarHBondContact OD1-N 3.35Å | ||
| 22 | K | 81.9 | Confident | 92.3 | Very high | 193 Ų | 193 | 93.7 Ų | 93.7 | 84% | 0.839 | 50% | 0.497 | S | S | * | . | trans | -91.9 | -8.7 | -179.2 | -61.6 | -173.7 | -179.8 | -178.6 | 0 | 113 | N20 Q24 | N20-K22 PolarHBondContact O-N 3.15Å; K22-Q24 PolarHBondContact O-N 3.4Å | ||
| 23 | D | 85.1 | Confident | 92.2 | Very high | 148 Ų | 148 | 93.3 Ų | 93.3 | 79% | 0.791 | 51% | 0.505 | S | S | * | . | trans | -87.2 | 51.6 | -178.2 | -57.9 | -31 | 0 | 0 | 0 | 110.5 | N21 | N21-D23 WeakPolarHBondContact OD1-CB 3.25Å; N21-D23 PolarHBondContact OD1-N 3.35Å | ||
| 24 | Q | 84.3 | Confident | 92.2 | Very high | 139 Ų | 139 | 91.2 Ų | 91.2 | 65% | 0.65 | 49% | 0.49 | S | S | * | . | trans | -100.6 | 132 | 174 | -63.4 | -173.2 | 11.9 | 0 | 0 | 109.3 | K22 | K22-Q24 PolarHBondContact O-N 3.4Š| ||
| 25 | G | 89.5 | Confident | 92.2 | Very high | 35 Ų | 35 | 92.4 Ų | 92.4 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | trans | -63.5 | 139.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111 | F30 | G25-F30 WeakPolarHBondContact O-CE2 3.4Š| ||
| 26 | G | 93.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 93.7 Ų | 93.7 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | trans | -88.4 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E28 D29 F30 | G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.14Å; G26-D29 PolarHBondContact N-OD2 3.07Å; G26-D29 PolarHBondContact O-N 3.41Å; G26-F30 WeakPolarHBondContact O-CD2 3.46Å; G26-F30 PolarHBondContact O-N 3.43Å | ||
| 27 | Y | 95 | Very high | 92.1 | Very high | 66 Ų | 66 | 91.9 Ų | 91.9 | 26% | 0.259 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -52.2 | -45.7 | 175.9 | 172.5 | -98.6 | 0 | 0 | 0 | 112.6 | D29 F30 V31 E83 V86 K87 M90 | Y27-D29 PolarHBondContact O-N 3.28Å; Y27-F30 PolarHBondContact O-N 3.45Å; Y27-V31 HydrophobicContact CD1-CG2 4.3Å; Y27-V31 HydrophobicContact CD2-CG2 4.2Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 HydrophobicContact CE2-CG2 3.64Å; Y27-V31 HydrophobicContact CG-CG2 4.49Å; Y27-V31 VanDerWaalsContact CZ-CG2 3.45Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.33Å; Y27-E83 WeakPolarHBondContact OH-CB 3.44Å; Y27-V86 HydrophobicContact CD2-CB 4.31Å; Y27-V86 HydrophobicContact CD2-CG1 3.58Å; Y27-V86 HydrophobicContact CE2-CB 4.06Å; Y27-V86 HydrophobicContact CE2-CG1 3.85Å; Y27-K87 HydrophobicContact CD2-CG 4.15Å; Y27-K87 HydrophobicContact CE2-CD 4.38Å; Y27-K87 HydrophobicContact CE2-CG 3.47Å; Y27-K87 VanDerWaalsContact CE2-CG 3.47Å; Y27-K87 WeakPolarHBondContact OH-CE 3.46Å; Y27-M90 VanDerWaalsContact CA-SD 3.55Å; Y27-M90 HydrophobicContact CD2-SD 4.15Å |
| 28 | E | 96 | Very high | 92.1 | Very high | 149 Ų | 149 | 89.3 Ų | 89.3 | 70% | 0.696 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -42.1 | -178.4 | -64.6 | -179.1 | 169.8 | 0 | 0 | 111.4 | G26 F30 V31 E32 | G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.14Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.13Å; E28-V31 PolarHBondContact O-N 3.23Å; E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 WeakPolarHBondContact O-CG 3.43Å; E28-E32 PolarHBondContact O-N 3.01Å |
| 29 | D | 95.7 | Very high | 92.1 | Very high | 100 Ų | 100 | 92 Ų | 92 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 178.2 | -57.8 | -56.9 | 0 | 0 | 0 | 111.7 | G26 Y27 G33 | G26-D29 PolarHBondContact N-OD2 3.07Å; G26-D29 PolarHBondContact O-N 3.41Å; Y27-D29 PolarHBondContact O-N 3.28Å; D29-G33 PolarHBondContact O-N 3.35Å |
| 30 | F | 95.8 | Very high | 92.2 | Very high | 99 Ų | 99 | 95.6 Ų | 95.6 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 179.4 | -62.8 | -52.9 | 0 | 0 | 0 | 112.7 | G25 G26 Y27 E28 G33 L34 V86 M90 | G25-F30 WeakPolarHBondContact O-CE2 3.4Å; G26-F30 WeakPolarHBondContact O-CD2 3.46Å; G26-F30 PolarHBondContact O-N 3.43Å; Y27-F30 PolarHBondContact O-N 3.45Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.13Å; F30-G33 PolarHBondContact O-N 3.41Å; F30-L34 PolarHBondContact O-N 3.21Å; F30-L34 VanDerWaalsContact O-N 3.07Å; F30-V86 HydrophobicContact CB-CG1 3.81Å; F30-V86 HydrophobicContact CB-CG2 4.13Å; F30-V86 HydrophobicContact CD2-CG1 4.36Å; F30-M90 HydrophobicContact CD2-CE 4.39Å; F30-M90 HydrophobicContact CD2-SD 3.87Å; F30-M90 HydrophobicContact CE2-CE 4.23Å; F30-M90 HydrophobicContact CE2-SD 4.24Å |
| 31 | V | 96.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 92.9 Ų | 92.9 | 4% | 0.042 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 176.6 | 169 | 0 | 0 | 0 | 0 | 110.9 | Y27 E28 G33 L34 R35 Y82 E83 V86 | Y27-V31 HydrophobicContact CD1-CG2 4.3Å; Y27-V31 HydrophobicContact CD2-CG2 4.2Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 HydrophobicContact CE2-CG2 3.64Å; Y27-V31 HydrophobicContact CG-CG2 4.49Å; Y27-V31 VanDerWaalsContact CZ-CG2 3.45Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.33Å; E28-V31 PolarHBondContact O-N 3.23Å; V31-G33 VanDerWaalsContact C-N 3.33Å; V31-G33 PolarHBondContact O-N 2.94Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-R35 WeakPolarHBondContact O-CB 3.38Å; V31-R35 PolarHBondContact O-N 3.38Å; V31-Y82 HydrophobicContact CG1-CD2 4.16Å; V31-Y82 HydrophobicContact CG1-CE2 3.92Å; V31-E83 HydrophobicContact CG1-CG 4.04Å; V31-E83 HydrophobicContact CG2-CG 4.34Å; V31-V86 HydrophobicContact CG2-CB 4.29Å; V31-V86 HydrophobicContact CG2-CG1 4.37Å; V31-V86 HydrophobicContact CG2-CG2 4.36Å |
| 32 | E | 95.7 | Very high | 92.7 | Very high | 118 Ų | 118 | 93.1 Ų | 93.1 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -39.6 | 176.2 | -73.9 | -169.3 | 167.5 | 0 | 0 | 112.1 | E28 L34 R35 | E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 WeakPolarHBondContact O-CG 3.43Å; E28-E32 PolarHBondContact O-N 3.01Å; E32-L34 PolarHBondContact O-N 3.03Å; E32-R35 PolarHBondContact O-N 3.14Å |
| 33 | G | 94.4 | Very high | 93.3 | Very high | 41 Ų | 41 | 84.5 Ų | 84.5 | 42% | 0.423 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D29 F30 V31 | D29-G33 PolarHBondContact O-N 3.35Å; F30-G33 PolarHBondContact O-N 3.41Å; V31-G33 VanDerWaalsContact C-N 3.33Å; V31-G33 PolarHBondContact O-N 2.94Å |
| 34 | L | 95.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.12 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -75.2 | -29.3 | 178.9 | -70.6 | 174.3 | 0 | 0 | 0 | 113.2 | F30 V31 E32 V36 F37 L50 Y82 F85 V86 | F30-L34 PolarHBondContact O-N 3.21Å; F30-L34 VanDerWaalsContact O-N 3.07Å; V31-L34 PolarHBondContact O-N 2.8Å; E32-L34 PolarHBondContact O-N 3.03Å; L34-V36 PolarHBondContact O-N 3.04Å; L34-V36 VanDerWaalsContact O-N 3.12Å; L34-F37 PolarHBondContact O-N 3.14Å; L34-L50 HydrophobicContact CD2-CD1 3.63Å; L34-Y82 HydrophobicContact CB-CD2 4.22Å; L34-Y82 HydrophobicContact CB-CG 4.11Å; L34-F85 HydrophobicContact CD1-CD1 4.29Å; L34-V86 HydrophobicContact CD1-CG2 3.63Å |
| 35 | R | 95.7 | Very high | 94.5 | Very high | 120 Ų | 120 | 72.5 Ų | 72.5 | 45% | 0.453 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.3 | -25.2 | 176.8 | -175 | 179.4 | -70.5 | 151.1 | -0.8 | 112.9 | V31 E32 F37 D38 Y82 | V31-R35 WeakPolarHBondContact O-CB 3.38Å; V31-R35 PolarHBondContact O-N 3.38Å; E32-R35 PolarHBondContact O-N 3.14Å; R35-F37 PolarHBondContact O-N 2.99Å; R35-D38 PolarHBondContact O-N 3.01Å; R35-Y82 HydrophobicContact CB-CE2 4.46Å |
| 36 | V | 93.9 | Very high | 94.8 | Very high | 115 Ų | 115 | 76 Ų | 76 | 70% | 0.697 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -24.8 | 176.1 | -177.8 | 0 | 0 | 0 | 0 | 112.5 | L34 | L34-V36 PolarHBondContact O-N 3.04Å; L34-V36 VanDerWaalsContact O-N 3.12Å |
| 37 | F | 91.8 | Very high | 94.9 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 29% | 0.289 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -17 | 177.4 | -58.2 | -79.7 | 0 | 0 | 0 | 113 | L34 R35 K39 V45 V53 | L34-F37 PolarHBondContact O-N 3.14Å; R35-F37 PolarHBondContact O-N 2.99Å; F37-K39 PolarHBondContact O-N 3.29Å; F37-K39 VanDerWaalsContact O-N 3.1Å; F37-V45 HydrophobicContact CB-CG1 3.86Å; F37-V53 HydrophobicContact CD1-CG2 4.33Å; F37-V53 HydrophobicContact CE1-CG2 3.56Å; F37-V53 HydrophobicContact CE2-CG2 4.47Å; F37-V53 HydrophobicContact CZ-CG1 4.18Å; F37-V53 HydrophobicContact CZ-CG2 3.64Å |
| 38 | D | 94.6 | Very high | 95 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 8% | 0.075 | 40% | 0.399 | C | S | . | . | trans | -83.6 | 81.6 | 178.1 | 180 | 7.9 | 0 | 0 | 0 | 110.9 | R35 E40 G41 N42 G43 T44 Y82 | R35-D38 PolarHBondContact O-N 3.01Å; D38-E40 PolarHBondContact O-N 3.4Å; D38-E40 PolarHBondContact OD1-N 3.39Å; D38-G41 PolarHBondContact O-N 3.37Å; D38-G41 WeakPolarHBondContact OD1-CA 3.48Å; D38-G41 PolarHBondContact OD1-N 3.12Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å; D38-N42 PolarHBondContact OD1-N 3.04Å; D38-N42 PolarHBondContact OD1-OD1 3.39Å; D38-N42 PolarHBondContact OD2-N 2.95Å; D38-N42 VanDerWaalsContact OD2-N 3.13Å; D38-G43 WeakPolarHBondContact OD2-CA 3.49Å; D38-G43 PolarHBondContact OD2-N 3.49Å; D38-T44 WeakPolarHBondContact CB-O 3.25Å; D38-Y82 HydrophobicContact CB-CE1 3.71Å; D38-Y82 WeakPolarHBondContact OD2-CE1 3.34Å; D38-Y82 PolarHBondContact OD2-OH 2.91Å | ||
| 39 | K | 89.8 | Confident | 94.9 | Very high | 178 Ų | 178 | 70.4 Ų | 70.4 | 77% | 0.774 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.9 | -178.9 | -65.7 | 172.9 | -172.9 | 150.2 | 0 | 113.3 | F37 E49 | F37-K39 PolarHBondContact O-N 3.29Å; F37-K39 VanDerWaalsContact O-N 3.1Å; K39-E49 IonicContact NZ-OE1 3.8Å |
| 40 | E | 92.1 | Very high | 94.8 | Very high | 166 Ų | 166 | 65.9 Ų | 65.9 | 78% | 0.776 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.8 | -176 | -61.5 | -171.1 | 166.1 | 0 | 0 | 112.6 | D38 N42 | D38-E40 PolarHBondContact O-N 3.4Å; D38-E40 PolarHBondContact OD1-N 3.39Å; E40-N42 VanDerWaalsContact C-N 3.27Å; E40-N42 HydrophobicContact CB-CB 4.4Å; E40-N42 PolarHBondContact O-N 3.05Å; E40-N42 PolarHBondContact OE2-ND2 2.95Å; E40-N42 VanDerWaalsContact OE2-ND2 3.12Å |
| 41 | G | 94.1 | Very high | 94.8 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 67% | 0.67 | 35% | 0.346 | S | S | * | . | trans | 67.1 | 28.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D38 | D38-G41 PolarHBondContact O-N 3.37Å; D38-G41 WeakPolarHBondContact OD1-CA 3.48Å; D38-G41 PolarHBondContact OD1-N 3.12Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å | ||
| 42 | N | 94.9 | Very high | 94.7 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -95.3 | 0.5 | -173.5 | 70.2 | 13.7 | 0 | 0 | 0 | 113.3 | D38 E40 T44 | D38-N42 PolarHBondContact OD1-N 3.04Å; D38-N42 PolarHBondContact OD1-OD1 3.39Å; D38-N42 PolarHBondContact OD2-N 2.95Å; D38-N42 VanDerWaalsContact OD2-N 3.13Å; E40-N42 VanDerWaalsContact C-N 3.27Å; E40-N42 HydrophobicContact CB-CB 4.4Å; E40-N42 PolarHBondContact O-N 3.05Å; E40-N42 PolarHBondContact OE2-ND2 2.95Å; E40-N42 VanDerWaalsContact OE2-ND2 3.12Å; N42-T44 PolarHBondContact ND2-OG1 2.9Å; N42-T44 WeakPolarHBondContact OD1-CB 3.45Å; N42-T44 PolarHBondContact OD1-N 2.77Å; N42-T44 PolarHBondContact OD1-OG1 2.88Å |
| 43 | G | 96.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 12% | 0.124 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 84.4 | 13.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D38 N81 Y82 | D38-G43 WeakPolarHBondContact OD2-CA 3.49Å; D38-G43 PolarHBondContact OD2-N 3.49Å; G43-N81 WeakPolarHBondContact O-CA 3.38Å; G43-N81 PolarHBondContact O-ND2 3.12Å; G43-Y82 VanDerWaalsContact C-CD1 3.49Å; G43-Y82 VanDerWaalsContact CA-CE1 3.46Å; G43-Y82 WeakPolarHBondContact O-CD1 3.35Å; G43-Y82 WeakPolarHBondContact O-CE1 3.21Å; G43-Y82 PolarHBondContact O-N 2.81Å |
| 44 | T | 97.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 65.2 Ų | 65.2 | 19% | 0.19 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 154.6 | -179.6 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | D38 N42 I80 | D38-T44 WeakPolarHBondContact CB-O 3.25Å; N42-T44 PolarHBondContact ND2-OG1 2.9Å; N42-T44 WeakPolarHBondContact OD1-CB 3.45Å; N42-T44 PolarHBondContact OD1-N 2.77Å; N42-T44 PolarHBondContact OD1-OG1 2.88Å; T44-I80 CarbonylContact C-O 3.55Å; T44-I80 WeakPolarHBondContact CA-O 3.5Å; T44-I80 WeakPolarHBondContact CB-O 3.19Å |
| 45 | V | 96.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 152.5 | 169.3 | -57.3 | 0 | 0 | 0 | 0 | 109.5 | F37 G47 L50 C79 I80 Y82 | F37-V45 HydrophobicContact CB-CG1 3.86Å; V45-G47 PolarHBondContact O-N 3.34Å; V45-L50 HydrophobicContact CG2-CB 4.11Å; V45-L50 HydrophobicContact CG2-CD2 4.12Å; V45-C79 WeakPolarHBondContact O-CA 3.45Å; V45-I80 HydrophobicContact CG2-CB 4.2Å; V45-I80 PolarHBondContact N-O 3.32Å; V45-I80 PolarHBondContact O-N 2.89Å; V45-Y82 HydrophobicContact CG1-CD1 3.82Å; V45-Y82 HydrophobicContact CG1-CE1 4.4Å |
| 46 | M | 96.3 | Very high | 94.6 | Very high | 107 Ų | 107 | 63 Ų | 63 | 53% | 0.527 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 130.1 | 172.2 | -64.6 | -173.6 | 68.1 | 0 | 0 | 109.6 | A48 E49 L50 | M46-A48 PolarHBondContact O-N 2.96Å; M46-E49 HydrophobicContact CB-CB 4.24Å; M46-E49 HydrophobicContact CB-CG 4.01Å; M46-E49 PolarHBondContact O-N 3.03Å; M46-L50 PolarHBondContact O-N 2.87Å; M46-L50 VanDerWaalsContact O-N 3.07Å |
| 47 | G | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.4 | -35.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V45 L50 R51 G78 | V45-G47 PolarHBondContact O-N 3.34Å; G47-L50 PolarHBondContact O-N 3.17Å; G47-R51 VanDerWaalsContact C-NH1 3.35Å; G47-R51 WeakPolarHBondContact O-CB 3.49Å; G47-R51 VanDerWaalsContact O-CG 3.27Å; G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.38Å; G47-R51 PolarHBondContact O-NH1 3.22Å; G47-G78 PolarHBondContact N-O 3.03Å |
| 48 | A | 95.4 | Very high | 94.6 | Very high | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | M46 H52 | M46-A48 PolarHBondContact O-N 2.96Å; A48-H52 PolarHBondContact O-N 3.38Å; A48-H52 VanDerWaalsContact O-N 3.13Å |
| 49 | E | 94.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 30% | 0.299 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | 176.7 | -70.6 | 179 | 135.9 | 0 | 0 | 110.4 | K39 M46 R51 H52 V53 | K39-E49 IonicContact NZ-OE1 3.8Å; M46-E49 HydrophobicContact CB-CB 4.24Å; M46-E49 HydrophobicContact CB-CG 4.01Å; M46-E49 PolarHBondContact O-N 3.03Å; E49-R51 PolarHBondContact O-N 3.36Å; E49-H52 PolarHBondContact O-N 3.49Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 2.76Å |
| 50 | L | 94.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 70.1 Ų | 70.1 | 3% | 0.026 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 178.7 | -170.2 | 57 | 0 | 0 | 0 | 112 | L34 V45 M46 G47 H52 V53 L54 L70 I80 F85 | L34-L50 HydrophobicContact CD2-CD1 3.63Å; V45-L50 HydrophobicContact CG2-CB 4.11Å; V45-L50 HydrophobicContact CG2-CD2 4.12Å; M46-L50 PolarHBondContact O-N 2.87Å; M46-L50 VanDerWaalsContact O-N 3.07Å; G47-L50 PolarHBondContact O-N 3.17Å; L50-H52 VanDerWaalsContact C-N 3.34Å; L50-H52 PolarHBondContact O-N 3.2Å; L50-V53 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-L70 HydrophobicContact CD2-CD2 3.78Å; L50-L70 HydrophobicContact CG-CD2 4.36Å; L50-I80 HydrophobicContact CD2-CD1 3.91Å; L50-I80 HydrophobicContact CD2-CG2 4.44Å; L50-F85 HydrophobicContact CD2-CD1 4.32Å; L50-F85 HydrophobicContact CD2-CE1 4.04Å; L50-F85 HydrophobicContact CD2-CZ 4.46Å |
| 51 | R | 95.9 | Very high | 95 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 22% | 0.219 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -55.9 | -48.6 | 172.9 | -75.6 | 176.2 | 179.2 | 92.8 | -2.8 | 111.9 | G47 E49 V53 L54 A55 V66 E67 L70 E74 | G47-R51 VanDerWaalsContact C-NH1 3.35Å; G47-R51 WeakPolarHBondContact O-CB 3.49Å; G47-R51 VanDerWaalsContact O-CG 3.27Å; G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.38Å; G47-R51 PolarHBondContact O-NH1 3.22Å; E49-R51 PolarHBondContact O-N 3.36Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.1Å; R51-L54 PolarHBondContact O-N 3.14Å; R51-A55 WeakPolarHBondContact O-CB 3.33Å; R51-A55 PolarHBondContact O-N 2.85Å; R51-A55 VanDerWaalsContact O-N 3.1Å; R51-V66 HydrophobicContact CB-CG1 4.11Å; R51-V66 HydrophobicContact CG-CG1 3.76Å; R51-E67 VanDerWaalsContact CD-OE1 3.25Å; R51-E67 WeakPolarHBondContact CD-OE1 3.36Å; R51-E67 IonicContact CZ-OE1 3.83Å; R51-E67 IonicContact CZ-OE2 3.49Å; R51-E67 IonicContact NE-OE1 2.77Å; R51-E67 PolarHBondContact NE-OE1 3.4Å; R51-E67 IonicContact NE-OE2 2.81Å; R51-E67 PolarHBondContact NE-OE2 3.1Å; R51-E67 IonicContact NH2-OE2 3.89Å; R51-E67 PolarHBondContact NH2-OE2 3.44Å; R51-L70 HydrophobicContact CB-CD1 4.49Å; R51-L70 HydrophobicContact CG-CD1 3.37Å; R51-E74 IonicContact CZ-OE2 3.29Å; R51-E74 VanDerWaalsContact CZ-OE2 3.29Å; R51-E74 IonicContact NH1-OE1 3.32Å; R51-E74 PolarHBondContact NH1-OE1 2.84Å; R51-E74 IonicContact NH1-OE2 2.85Å; R51-E74 PolarHBondContact NH1-OE2 3.36Å; R51-E74 IonicContact NH2-OE2 3.39Å; R51-E74 PolarHBondContact NH2-OE2 3.4Å |
| 52 | H | 94.9 | Very high | 95.2 | Very high | 127 Ų | 127 | 68.5 Ų | 68.5 | 59% | 0.588 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.4 | -44.7 | -179.7 | -174.8 | 71 | 0 | 0 | 0 | 111.5 | A48 E49 L50 A55 T56 | A48-H52 PolarHBondContact O-N 3.38Å; A48-H52 VanDerWaalsContact O-N 3.13Å; E49-H52 PolarHBondContact O-N 3.49Å; L50-H52 VanDerWaalsContact C-N 3.34Å; L50-H52 PolarHBondContact O-N 3.2Å; H52-A55 PolarHBondContact O-N 3.41Å; H52-T56 VanDerWaalsContact O-CB 3.32Å; H52-T56 WeakPolarHBondContact O-CB 3.37Å; H52-T56 VanDerWaalsContact O-CG2 3.26Å; H52-T56 WeakPolarHBondContact O-CG2 3.38Å; H52-T56 PolarHBondContact O-N 3.02Å; H52-T56 VanDerWaalsContact O-N 3.1Å; H52-T56 PolarHBondContact O-OG1 3.3Å |
| 53 | V | 93.8 | Very high | 95.1 | Very high | 26 Ų | 26 | 71.9 Ų | 71.9 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 178.7 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | F37 E49 L50 R51 A55 T56 L57 | F37-V53 HydrophobicContact CD1-CG2 4.33Å; F37-V53 HydrophobicContact CE1-CG2 3.56Å; F37-V53 HydrophobicContact CE2-CG2 4.47Å; F37-V53 HydrophobicContact CZ-CG1 4.18Å; F37-V53 HydrophobicContact CZ-CG2 3.64Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 2.76Å; L50-V53 PolarHBondContact O-N 3.44Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.1Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 3.19Å; V53-T56 PolarHBondContact O-N 2.8Å; V53-T56 VanDerWaalsContact O-N 3.17Å; V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG2-CD1 4.4Å; V53-L57 PolarHBondContact O-N 3.13Å |
| 54 | L | 95.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 79.2 Ų | 79.2 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.5 | -29.8 | -178 | -67.2 | 171.3 | 0 | 0 | 0 | 113.3 | L50 R51 M61 V66 L69 | L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.91Å; R51-L54 PolarHBondContact O-N 3.14Å; L54-M61 HydrophobicContact CB-SD 4.32Å; L54-M61 HydrophobicContact CD2-SD 4.24Å; L54-M61 PolarHBondContact O-N 3.32Å; L54-V66 HydrophobicContact CB-CG1 4.45Å; L54-V66 HydrophobicContact CB-CG2 3.84Å; L54-V66 HydrophobicContact CD1-CG1 4.23Å; L54-L69 HydrophobicContact CD1-CD2 3.92Å |
| 55 | A | 95.9 | Very high | 95.1 | Very high | 40 Ų | 40 | 82.1 Ų | 82.1 | 33% | 0.331 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -83.6 | -19.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R51 H52 V53 | R51-A55 WeakPolarHBondContact O-CB 3.33Å; R51-A55 PolarHBondContact O-N 2.85Å; R51-A55 VanDerWaalsContact O-N 3.1Å; H52-A55 PolarHBondContact O-N 3.41Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 3.19Å |
| 56 | T | 93.1 | Very high | 95 | Very high | 55 Ų | 55 | 82 Ų | 82 | 34% | 0.337 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -119.5 | -28.5 | -167.8 | 63.6 | 0 | 0 | 0 | 0 | 115.3 | H52 V53 K60 | H52-T56 VanDerWaalsContact O-CB 3.32Å; H52-T56 WeakPolarHBondContact O-CB 3.37Å; H52-T56 VanDerWaalsContact O-CG2 3.26Å; H52-T56 WeakPolarHBondContact O-CG2 3.38Å; H52-T56 PolarHBondContact O-N 3.02Å; H52-T56 VanDerWaalsContact O-N 3.1Å; H52-T56 PolarHBondContact O-OG1 3.3Å; V53-T56 PolarHBondContact O-N 2.8Å; V53-T56 VanDerWaalsContact O-N 3.17Å; T56-K60 VanDerWaalsContact O-CE 3.27Å; T56-K60 WeakPolarHBondContact O-CE 3.28Å |
| 57 | L | 92.8 | Very high | 95 | Very high | 107 Ų | 107 | 80.8 Ų | 80.8 | 56% | 0.56 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -106.4 | 140.1 | -174.3 | -61.9 | -176.2 | 0 | 0 | 0 | 111.9 | V53 | V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG2-CD1 4.4Å; V53-L57 PolarHBondContact O-N 3.13Å |
| 58 | G | 93.1 | Very high | 94.9 | Very high | 75 Ų | 75 | 84.4 Ų | 84.4 | 77% | 0.773 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 65.6 | -133.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K60 | G58-K60 PolarHBondContact O-N 2.9Å; G58-K60 VanDerWaalsContact O-N 3.17Å |
| 59 | E | 93.3 | Very high | 94.9 | Very high | 193 Ų | 193 | 83.7 Ų | 83.7 | 90% | 0.902 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -76.1 | 96.2 | 172.3 | -66.6 | -168.5 | 173.9 | 0 | 0 | 109.6 | M61 | E59-M61 PolarHBondContact O-N 2.82Š|
| 60 | K | 95.9 | Very high | 94.9 | Very high | 148 Ų | 148 | 80.7 Ų | 80.7 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 124.1 | -173 | -60 | 178.5 | -176.5 | -177 | 0 | 111.5 | T56 G58 | T56-K60 VanDerWaalsContact O-CE 3.27Å; T56-K60 WeakPolarHBondContact O-CE 3.28Å; G58-K60 PolarHBondContact O-N 2.9Å; G58-K60 VanDerWaalsContact O-N 3.17Å |
| 61 | M | 96.8 | Very high | 94.8 | Very high | 57 Ų | 57 | 83.7 Ų | 83.7 | 28% | 0.281 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 150.8 | 170.3 | -62 | -179 | 69.6 | 0 | 0 | 110.5 | L54 E59 E65 V66 L69 | L54-M61 HydrophobicContact CB-SD 4.32Å; L54-M61 HydrophobicContact CD2-SD 4.24Å; L54-M61 PolarHBondContact O-N 3.32Å; E59-M61 PolarHBondContact O-N 2.82Å; M61-E65 HydrophobicContact CB-CB 4.4Å; M61-E65 HydrophobicContact CE-CB 3.74Å; M61-V66 HydrophobicContact CB-CG2 3.59Å; M61-V66 HydrophobicContact SD-CG2 4.41Å; M61-L69 HydrophobicContact CE-CD2 4.17Å; M61-L69 HydrophobicContact SD-CD2 4.31Å |
| 62 | K | 97 | Very high | 94.7 | Very high | 141 Ų | 141 | 84.7 Ų | 84.7 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 152.9 | 168.4 | -62.1 | 173.8 | -172.8 | 165.4 | 0 | 109.6 | E64 E65 V66 | K62-E64 PolarHBondContact O-N 2.96Å; K62-E65 HydrophobicContact CB-CG 4.21Å; K62-E65 WeakPolarHBondContact CB-OE2 3.38Å; K62-E65 PolarHBondContact N-OE2 3.45Å; K62-E65 WeakPolarHBondContact O-CB 3.46Å; K62-E65 PolarHBondContact O-N 3.41Å; K62-V66 PolarHBondContact O-N 3.25Å |
| 63 | E | 93.9 | Very high | 94.8 | Very high | 154 Ų | 154 | 81 Ų | 81 | 72% | 0.72 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -52.5 | -43 | 178.3 | -169.6 | 170.1 | -175.8 | 0 | 0 | 112.4 | E65 V66 E67 | E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.39Å; E63-V66 PolarHBondContact O-N 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.22Å; E63-E67 PolarHBondContact O-N 3.01Å |
| 64 | E | 96.4 | Very high | 94.9 | Very high | 166 Ų | 166 | 83 Ų | 83 | 78% | 0.776 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -60.9 | -36.9 | 176.5 | -62.2 | 171.1 | -161.4 | 0 | 0 | 113.2 | K62 A68 | K62-E64 PolarHBondContact O-N 2.96Å; E64-A68 WeakPolarHBondContact O-CB 3.06Å; E64-A68 PolarHBondContact O-N 2.93Å; E64-A68 VanDerWaalsContact O-N 3.13Å |
| 65 | E | 96.1 | Very high | 94.9 | Very high | 92 Ų | 92 | 84.4 Ų | 84.4 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -73.3 | -38.1 | 178.7 | -63 | 166.3 | 154.4 | 0 | 0 | 110.6 | M61 K62 E63 L69 | M61-E65 HydrophobicContact CB-CB 4.4Å; M61-E65 HydrophobicContact CE-CB 3.74Å; K62-E65 HydrophobicContact CB-CG 4.21Å; K62-E65 WeakPolarHBondContact CB-OE2 3.38Å; K62-E65 PolarHBondContact N-OE2 3.45Å; K62-E65 WeakPolarHBondContact O-CB 3.46Å; K62-E65 PolarHBondContact O-N 3.41Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.39Å; E65-L69 WeakPolarHBondContact O-CB 3.17Å; E65-L69 PolarHBondContact O-N 3.46Å |
| 66 | V | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 88.2 Ų | 88.2 | 2% | 0.018 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 175.4 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | R51 L54 M61 K62 E63 A68 L69 L70 | R51-V66 HydrophobicContact CB-CG1 4.11Å; R51-V66 HydrophobicContact CG-CG1 3.76Å; L54-V66 HydrophobicContact CB-CG1 4.45Å; L54-V66 HydrophobicContact CB-CG2 3.84Å; L54-V66 HydrophobicContact CD1-CG1 4.23Å; M61-V66 HydrophobicContact CB-CG2 3.59Å; M61-V66 HydrophobicContact SD-CG2 4.41Å; K62-V66 PolarHBondContact O-N 3.25Å; E63-V66 PolarHBondContact O-N 3.49Å; V66-A68 VanDerWaalsContact C-N 3.31Å; V66-A68 PolarHBondContact O-N 3.17Å; V66-L69 WeakPolarHBondContact O-CB 3.27Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-L69 VanDerWaalsContact O-N 3.14Å; V66-L70 HydrophobicContact CG1-CD1 3.85Å; V66-L70 HydrophobicContact CG1-CG 4.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.66Å |
| 67 | E | 94.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 91.7 Ų | 91.7 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -38.9 | 178.8 | -69.4 | -52.4 | 135.9 | 0 | 0 | 111.9 | R51 E63 L69 L70 A71 | R51-E67 VanDerWaalsContact CD-OE1 3.25Å; R51-E67 WeakPolarHBondContact CD-OE1 3.36Å; R51-E67 IonicContact CZ-OE1 3.83Å; R51-E67 IonicContact CZ-OE2 3.49Å; R51-E67 IonicContact NE-OE1 2.77Å; R51-E67 PolarHBondContact NE-OE1 3.4Å; R51-E67 IonicContact NE-OE2 2.81Å; R51-E67 PolarHBondContact NE-OE2 3.1Å; R51-E67 IonicContact NH2-OE2 3.89Å; R51-E67 PolarHBondContact NH2-OE2 3.44Å; E63-E67 WeakPolarHBondContact O-CG 3.22Å; E63-E67 PolarHBondContact O-N 3.01Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; E67-L70 PolarHBondContact O-N 3.07Å; E67-A71 PolarHBondContact O-N 3.31Å; E67-A71 VanDerWaalsContact O-N 3.07Å |
| 68 | A | 94.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 87.6 Ų | 87.6 | 62% | 0.62 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -39 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E64 V66 | E64-A68 WeakPolarHBondContact O-CB 3.06Å; E64-A68 PolarHBondContact O-N 2.93Å; E64-A68 VanDerWaalsContact O-N 3.13Å; V66-A68 VanDerWaalsContact C-N 3.31Å; V66-A68 PolarHBondContact O-N 3.17Å |
| 69 | L | 94.3 | Very high | 95.3 | Very high | 48 Ų | 48 | 85.5 Ų | 85.5 | 25% | 0.251 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 179.1 | -169.6 | 72.4 | 0 | 0 | 0 | 112.6 | L54 M61 E65 V66 E67 F85 I89 | L54-L69 HydrophobicContact CD1-CD2 3.92Å; M61-L69 HydrophobicContact CE-CD2 4.17Å; M61-L69 HydrophobicContact SD-CD2 4.31Å; E65-L69 WeakPolarHBondContact O-CB 3.17Å; E65-L69 PolarHBondContact O-N 3.46Å; V66-L69 WeakPolarHBondContact O-CB 3.27Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-L69 VanDerWaalsContact O-N 3.14Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; L69-F85 HydrophobicContact CD2-CE2 4.46Å; L69-F85 HydrophobicContact CD2-CZ 3.79Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CZ 3.88Å; L69-I89 HydrophobicContact CD1-CD1 3.31Å; L69-I89 HydrophobicContact CD1-CG1 4.19Å; L69-I89 HydrophobicContact CG-CD1 4.13Å |
| 70 | L | 94.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.01 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -90.9 | -5.9 | -174.7 | -58.5 | -176.8 | 0 | 0 | 0 | 113.5 | L50 R51 V66 E67 G72 Q73 I80 F85 | L50-L70 HydrophobicContact CD2-CD2 3.78Å; L50-L70 HydrophobicContact CG-CD2 4.36Å; R51-L70 HydrophobicContact CB-CD1 4.49Å; R51-L70 HydrophobicContact CG-CD1 3.37Å; V66-L70 HydrophobicContact CG1-CD1 3.85Å; V66-L70 HydrophobicContact CG1-CG 4.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.66Å; E67-L70 PolarHBondContact O-N 3.07Å; L70-G72 PolarHBondContact O-N 3.1Å; L70-G72 VanDerWaalsContact O-N 3.14Å; L70-Q73 WeakPolarHBondContact O-CB 3.42Å; L70-Q73 PolarHBondContact O-N 2.95Å; L70-I80 HydrophobicContact CD1-CD1 4.26Å; L70-I80 HydrophobicContact CD2-CD1 3.9Å; L70-I80 HydrophobicContact CG-CD1 4.46Å; L70-F85 HydrophobicContact CD2-CE2 3.74Å; L70-F85 HydrophobicContact CD2-CZ 3.76Å |
| 71 | A | 93.6 | Very high | 95.6 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 119.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E67 Q73 | E67-A71 PolarHBondContact O-N 3.31Å; E67-A71 VanDerWaalsContact O-N 3.07Å; A71-Q73 VanDerWaalsContact C-N 3.27Å; A71-Q73 PolarHBondContact O-N 3.2Å |
| 72 | G | 94.1 | Very high | 95.6 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 83% | 0.825 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 5.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | L70 | L70-G72 PolarHBondContact O-N 3.1Å; L70-G72 VanDerWaalsContact O-N 3.14Å |
| 73 | Q | 96 | Very high | 95.6 | Very high | 49 Ų | 49 | 67 Ų | 67 | 23% | 0.229 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -20.8 | 177.5 | -55.1 | -59.3 | -47.4 | 0 | 0 | 112.8 | L70 A71 I80 F85 | L70-Q73 WeakPolarHBondContact O-CB 3.42Å; L70-Q73 PolarHBondContact O-N 2.95Å; A71-Q73 VanDerWaalsContact C-N 3.27Å; A71-Q73 PolarHBondContact O-N 3.2Å; Q73-I80 HydrophobicContact CB-CG2 4.32Å; Q73-F85 HydrophobicContact CB-CD2 4.27Å; Q73-F85 HydrophobicContact CG-CD2 3.86Å; Q73-F85 HydrophobicContact CG-CE2 4.32Å |
| 74 | E | 96.4 | Very high | 95.7 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -87.9 | 131.2 | -177.8 | -168.6 | 165.6 | -156.6 | 0 | 0 | 111 | R51 G78 C79 I80 | R51-E74 IonicContact CZ-OE2 3.29Å; R51-E74 VanDerWaalsContact CZ-OE2 3.29Å; R51-E74 IonicContact NH1-OE1 3.32Å; R51-E74 PolarHBondContact NH1-OE1 2.84Å; R51-E74 IonicContact NH1-OE2 2.85Å; R51-E74 PolarHBondContact NH1-OE2 3.36Å; R51-E74 IonicContact NH2-OE2 3.39Å; R51-E74 PolarHBondContact NH2-OE2 3.4Å; E74-G78 VanDerWaalsContact CG-CA 3.5Å; E74-G78 WeakPolarHBondContact OE1-CA 3.27Å; E74-C79 WeakPolarHBondContact CA-O 3.34Å; E74-I80 HydrophobicContact CB-CG1 4.11Å; E74-I80 HydrophobicContact CG-CG1 4.36Å |
| 75 | D | 95.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 54.6 Ų | 54.6 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | trans | -80.7 | -178.3 | 177.6 | 76.3 | 7.6 | 0 | 0 | 0 | 112.5 | N77 G78 C79 | D75-N77 PolarHBondContact O-N 3.3Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 VanDerWaalsContact OD1-CA 3.31Å; D75-N77 WeakPolarHBondContact OD1-CA 3.32Å; D75-N77 WeakPolarHBondContact OD1-CB 3.44Å; D75-N77 PolarHBondContact OD1-N 3.37Å; D75-G78 PolarHBondContact O-N 3.07Å; D75-G78 VanDerWaalsContact O-N 3.13Å; D75-G78 PolarHBondContact OD1-N 3.48Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å; D75-C79 PolarHBondContact N-O 3.47Å; D75-C79 PolarHBondContact OD1-N 3.47Å | ||
| 76 | S | 95.5 | Very high | 95.7 | Very high | 120 Ų | 120 | 50.6 Ų | 50.6 | 84% | 0.839 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -15.2 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 77 | N | 94.2 | Very high | 95.7 | Very high | 127 Ų | 127 | 56.2 Ų | 56.2 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -0.4 | -179.4 | -55.6 | -39 | 0 | 0 | 0 | 112.2 | D75 | D75-N77 PolarHBondContact O-N 3.3Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 VanDerWaalsContact OD1-CA 3.31Å; D75-N77 WeakPolarHBondContact OD1-CA 3.32Å; D75-N77 WeakPolarHBondContact OD1-CB 3.44Å; D75-N77 PolarHBondContact OD1-N 3.37Å |
| 78 | G | 95.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 79.1 | 21.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G47 E74 D75 | G47-G78 PolarHBondContact N-O 3.03Å; E74-G78 VanDerWaalsContact CG-CA 3.5Å; E74-G78 WeakPolarHBondContact OE1-CA 3.27Å; D75-G78 PolarHBondContact O-N 3.07Å; D75-G78 VanDerWaalsContact O-N 3.13Å; D75-G78 PolarHBondContact OD1-N 3.48Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å |
| 79 | C | 97 | Very high | 95.7 | Very high | 30 Ų | 30 | 56 Ų | 56 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 146.8 | -179 | -68.5 | 0 | 0 | 0 | 0 | 111.1 | V45 E74 D75 | V45-C79 WeakPolarHBondContact O-CA 3.45Å; E74-C79 WeakPolarHBondContact CA-O 3.34Å; D75-C79 PolarHBondContact N-O 3.47Å; D75-C79 PolarHBondContact OD1-N 3.47Å |
| 80 | I | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.4 | 179.1 | -61.3 | 180 | 0 | 0 | 0 | 108.5 | T44 V45 L50 L70 Q73 E74 Y82 F85 | T44-I80 CarbonylContact C-O 3.55Å; T44-I80 WeakPolarHBondContact CA-O 3.5Å; T44-I80 WeakPolarHBondContact CB-O 3.19Å; V45-I80 HydrophobicContact CG2-CB 4.2Å; V45-I80 PolarHBondContact N-O 3.32Å; V45-I80 PolarHBondContact O-N 2.89Å; L50-I80 HydrophobicContact CD2-CD1 3.91Å; L50-I80 HydrophobicContact CD2-CG2 4.44Å; L70-I80 HydrophobicContact CD1-CD1 4.26Å; L70-I80 HydrophobicContact CD2-CD1 3.9Å; L70-I80 HydrophobicContact CG-CD1 4.46Å; Q73-I80 HydrophobicContact CB-CG2 4.32Å; E74-I80 HydrophobicContact CB-CG1 4.11Å; E74-I80 HydrophobicContact CG-CG1 4.36Å; I80-Y82 PolarHBondContact O-N 3.13Å; I80-F85 HydrophobicContact CG2-CB 3.93Å; I80-F85 HydrophobicContact CG2-CG 4.21Å |
| 81 | N | 97.9 | Very high | 95.4 | Very high | 72 Ų | 72 | 62.2 Ų | 62.2 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 105.4 | 168.7 | -177 | -79.6 | 0 | 0 | 0 | 109.3 | G43 E83 A84 F85 | G43-N81 WeakPolarHBondContact O-CA 3.38Å; G43-N81 PolarHBondContact O-ND2 3.12Å; N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 2.98Å; N81-E83 PolarHBondContact OD1-N 2.92Å; N81-A84 HydrophobicContact CB-CB 4.22Å; N81-A84 PolarHBondContact O-N 3.44Å; N81-A84 VanDerWaalsContact OD1-CB 3.28Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 2.81Å; N81-F85 WeakPolarHBondContact O-CB 3.32Å; N81-F85 PolarHBondContact O-N 2.66Å |
| 82 | Y | 96.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 67 Ų | 67 | 2% | 0.024 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.1 | -27.8 | -170.7 | 53.3 | -96.8 | 0 | 0 | 0 | 113.3 | V31 L34 R35 D38 G43 V45 I80 V86 | V31-Y82 HydrophobicContact CG1-CD2 4.16Å; V31-Y82 HydrophobicContact CG1-CE2 3.92Å; L34-Y82 HydrophobicContact CB-CD2 4.22Å; L34-Y82 HydrophobicContact CB-CG 4.11Å; R35-Y82 HydrophobicContact CB-CE2 4.46Å; D38-Y82 HydrophobicContact CB-CE1 3.71Å; D38-Y82 WeakPolarHBondContact OD2-CE1 3.34Å; D38-Y82 PolarHBondContact OD2-OH 2.91Å; G43-Y82 VanDerWaalsContact C-CD1 3.49Å; G43-Y82 VanDerWaalsContact CA-CE1 3.46Å; G43-Y82 WeakPolarHBondContact O-CD1 3.35Å; G43-Y82 WeakPolarHBondContact O-CE1 3.21Å; G43-Y82 PolarHBondContact O-N 2.81Å; V45-Y82 HydrophobicContact CG1-CD1 3.82Å; V45-Y82 HydrophobicContact CG1-CE1 4.4Å; I80-Y82 PolarHBondContact O-N 3.13Å; Y82-V86 WeakPolarHBondContact O-CB 3.26Å; Y82-V86 VanDerWaalsContact O-CG2 3.22Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.36Å |
| 83 | E | 97.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 66.3 Ų | 66.3 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 174.9 | -70.3 | -171 | -168.1 | 0 | 0 | 111.9 | Y27 V31 N81 F85 K87 | Y27-E83 WeakPolarHBondContact OH-CB 3.44Å; V31-E83 HydrophobicContact CG1-CG 4.04Å; V31-E83 HydrophobicContact CG2-CG 4.34Å; N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 2.98Å; N81-E83 PolarHBondContact OD1-N 2.92Å; E83-F85 VanDerWaalsContact C-N 3.33Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.06Å |
| 84 | A | 96.5 | Very high | 94.4 | Very high | 48 Ų | 48 | 67.2 Ų | 67.2 | 40% | 0.397 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | N81 K87 H88 | N81-A84 HydrophobicContact CB-CB 4.22Å; N81-A84 PolarHBondContact O-N 3.44Å; N81-A84 VanDerWaalsContact OD1-CB 3.28Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 2.81Å; A84-K87 PolarHBondContact O-N 3.48Å; A84-H88 WeakPolarHBondContact O-CB 3.44Å; A84-H88 PolarHBondContact O-N 2.8Å |
| 85 | F | 96.4 | Very high | 94.3 | Very high | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.057 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.8 | -52.1 | 175.9 | 174.6 | -114.2 | 0 | 0 | 0 | 112 | L34 L50 L69 L70 Q73 I80 N81 E83 K87 H88 I89 | L34-F85 HydrophobicContact CD1-CD1 4.29Å; L50-F85 HydrophobicContact CD2-CD1 4.32Å; L50-F85 HydrophobicContact CD2-CE1 4.04Å; L50-F85 HydrophobicContact CD2-CZ 4.46Å; L69-F85 HydrophobicContact CD2-CE2 4.46Å; L69-F85 HydrophobicContact CD2-CZ 3.79Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CZ 3.88Å; L70-F85 HydrophobicContact CD2-CE2 3.74Å; L70-F85 HydrophobicContact CD2-CZ 3.76Å; Q73-F85 HydrophobicContact CB-CD2 4.27Å; Q73-F85 HydrophobicContact CG-CD2 3.86Å; Q73-F85 HydrophobicContact CG-CE2 4.32Å; I80-F85 HydrophobicContact CG2-CB 3.93Å; I80-F85 HydrophobicContact CG2-CG 4.21Å; N81-F85 WeakPolarHBondContact O-CB 3.32Å; N81-F85 PolarHBondContact O-N 2.66Å; E83-F85 VanDerWaalsContact C-N 3.33Å; F85-K87 VanDerWaalsContact C-N 3.34Å; F85-K87 PolarHBondContact O-N 2.91Å; F85-H88 WeakPolarHBondContact O-CB 3.39Å; F85-H88 PolarHBondContact O-N 3.42Å; F85-H88 VanDerWaalsContact O-N 3.12Å; F85-I89 HydrophobicContact CD2-CG1 4.3Å; F85-I89 HydrophobicContact CE1-CG1 4.43Å; F85-I89 HydrophobicContact CE2-CD1 3.99Å; F85-I89 HydrophobicContact CE2-CG1 3.9Å; F85-I89 HydrophobicContact CZ-CD1 4.37Å; F85-I89 HydrophobicContact CZ-CG1 3.98Å; F85-I89 WeakPolarHBondContact O-CG1 3.41Å; F85-I89 PolarHBondContact O-N 3Å |
| 86 | V | 96.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 66.9 Ų | 66.9 | 5% | 0.048 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 178.5 | 174.4 | 0 | 0 | 0 | 0 | 110.9 | Y27 F30 V31 L34 Y82 H88 I89 M90 | Y27-V86 HydrophobicContact CD2-CB 4.31Å; Y27-V86 HydrophobicContact CD2-CG1 3.58Å; Y27-V86 HydrophobicContact CE2-CB 4.06Å; Y27-V86 HydrophobicContact CE2-CG1 3.85Å; F30-V86 HydrophobicContact CB-CG1 3.81Å; F30-V86 HydrophobicContact CB-CG2 4.13Å; F30-V86 HydrophobicContact CD2-CG1 4.36Å; V31-V86 HydrophobicContact CG2-CB 4.29Å; V31-V86 HydrophobicContact CG2-CG1 4.37Å; V31-V86 HydrophobicContact CG2-CG2 4.36Å; L34-V86 HydrophobicContact CD1-CG2 3.63Å; Y82-V86 WeakPolarHBondContact O-CB 3.26Å; Y82-V86 VanDerWaalsContact O-CG2 3.22Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.36Å; V86-H88 VanDerWaalsContact C-N 3.29Å; V86-H88 PolarHBondContact O-N 3.05Å; V86-I89 PolarHBondContact O-N 3.12Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.8Å; V86-M90 WeakPolarHBondContact O-CB 3.35Å; V86-M90 WeakPolarHBondContact O-CG 3.49Å; V86-M90 PolarHBondContact O-N 3.13Å |
| 87 | K | 95.9 | Very high | 94.1 | Very high | 121 Ų | 121 | 63.6 Ų | 63.6 | 53% | 0.526 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.2 | -42.8 | 174.3 | -76.5 | 178.6 | -174.1 | 161.6 | 0 | 112 | Y27 E83 A84 F85 S91 | Y27-K87 HydrophobicContact CD2-CG 4.15Å; Y27-K87 HydrophobicContact CE2-CD 4.38Å; Y27-K87 HydrophobicContact CE2-CG 3.47Å; Y27-K87 VanDerWaalsContact CE2-CG 3.47Å; Y27-K87 WeakPolarHBondContact OH-CE 3.46Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.06Å; A84-K87 PolarHBondContact O-N 3.48Å; F85-K87 VanDerWaalsContact C-N 3.34Å; F85-K87 PolarHBondContact O-N 2.91Å; K87-S91 VanDerWaalsContact O-CB 3.31Å; K87-S91 WeakPolarHBondContact O-CB 3.37Å; K87-S91 PolarHBondContact O-N 3.35Å; K87-S91 VanDerWaalsContact O-N 3.15Å; K87-S91 PolarHBondContact O-OG 3.35Å |
| 88 | H | 94.3 | Very high | 94.1 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.4 | -51.2 | 177.7 | 178.1 | 58.2 | 0 | 0 | 0 | 110.7 | A84 F85 V86 M90 S91 | A84-H88 WeakPolarHBondContact O-CB 3.44Å; A84-H88 PolarHBondContact O-N 2.8Å; F85-H88 WeakPolarHBondContact O-CB 3.39Å; F85-H88 PolarHBondContact O-N 3.42Å; F85-H88 VanDerWaalsContact O-N 3.12Å; V86-H88 VanDerWaalsContact C-N 3.29Å; V86-H88 PolarHBondContact O-N 3.05Å; H88-M90 PolarHBondContact O-N 3.18Å; H88-S91 PolarHBondContact O-N 2.92Å; H88-S91 VanDerWaalsContact O-N 3.15Å; H88-S91 PolarHBondContact O-OG 3.28Å |
| 89 | I | 93.3 | Very high | 94 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | -179.4 | -61.3 | -46 | 0 | 0 | 0 | 112.4 | L69 F85 V86 S91 | L69-I89 HydrophobicContact CD1-CD1 3.31Å; L69-I89 HydrophobicContact CD1-CG1 4.19Å; L69-I89 HydrophobicContact CG-CD1 4.13Å; F85-I89 HydrophobicContact CD2-CG1 4.3Å; F85-I89 HydrophobicContact CE1-CG1 4.43Å; F85-I89 HydrophobicContact CE2-CD1 3.99Å; F85-I89 HydrophobicContact CE2-CG1 3.9Å; F85-I89 HydrophobicContact CZ-CD1 4.37Å; F85-I89 HydrophobicContact CZ-CG1 3.98Å; F85-I89 WeakPolarHBondContact O-CG1 3.41Å; F85-I89 PolarHBondContact O-N 3Å; V86-I89 PolarHBondContact O-N 3.12Å; I89-S91 PolarHBondContact O-N 3.1Å |
| 90 | M | 92.6 | Very high | 93.8 | Very high | 90 Ų | 90 | 64.5 Ų | 64.5 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77 | -8 | -179.3 | -64.3 | -172.8 | 76.9 | 0 | 0 | 114.2 | Y27 F30 V86 H88 | Y27-M90 VanDerWaalsContact CA-SD 3.55Å; Y27-M90 HydrophobicContact CD2-SD 4.15Å; F30-M90 HydrophobicContact CD2-CE 4.39Å; F30-M90 HydrophobicContact CD2-SD 3.87Å; F30-M90 HydrophobicContact CE2-CE 4.23Å; F30-M90 HydrophobicContact CE2-SD 4.24Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.8Å; V86-M90 WeakPolarHBondContact O-CB 3.35Å; V86-M90 WeakPolarHBondContact O-CG 3.49Å; V86-M90 PolarHBondContact O-N 3.13Å; H88-M90 PolarHBondContact O-N 3.18Å |
| 91 | S | 90.1 | Very high | 93.5 | Very high | 91 Ų | 91 | 69.9 Ų | 69.9 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.2 | 178.8 | 71.2 | 0 | 0 | 0 | 0 | 114.2 | K87 H88 I89 | K87-S91 VanDerWaalsContact O-CB 3.31Å; K87-S91 WeakPolarHBondContact O-CB 3.37Å; K87-S91 PolarHBondContact O-N 3.35Å; K87-S91 VanDerWaalsContact O-N 3.15Å; K87-S91 PolarHBondContact O-OG 3.35Å; H88-S91 PolarHBondContact O-N 2.92Å; H88-S91 VanDerWaalsContact O-N 3.15Å; H88-S91 PolarHBondContact O-OG 3.28Å; I89-S91 PolarHBondContact O-N 3.1Å |
| 92 | V | 74.3 | Confident | 93.1 | Very high | 166 Ų | 166 | 69.7 Ų | 69.7 | 100% | 1.006 | 38% | 0.383 | S | S | * | . | trans | -88.9 | 0 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 109.8 |
Retrieved 92 of 92 residues in 96.7 ms
(Link to these results)