| 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 | 38 | Very low | 42.5 | Very low | 240 Ų | 240 | 157.8 Ų | 157.8 | 100% | 1.182 | 82% | 0.818 | S | S | * | * | 0 | 84.8 | 0 | -71 | 173.9 | -157.2 | 0 | 0 | 108 | |||||
| 2 | N | 37.6 | Very low | 43.8 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -116.8 | 88.1 | 170.3 | -83.6 | -0.6 | 0 | 0 | 0 | 106.6 | F4 | N2-F4 PolarHBondContact O-N 2.88Å; N2-F4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | G | 37.2 | Very low | 44.8 | Very low | 80 Ų | 80 | 148.2 Ų | 148.2 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | trans | -71 | 96.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | M5 | G3-M5 VanDerWaalsContact C-N 3.34Å; G3-M5 PolarHBondContact O-N 3.34Å | ||
| 4 | F | 41.8 | Very low | 45.7 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 87% | 0.873 | 73% | 0.726 | S | S | * | * | trans | -59 | 102.9 | 159.9 | -97.7 | -94.2 | 0 | 0 | 0 | 107.3 | N2 K6 | N2-F4 PolarHBondContact O-N 2.88Å; N2-F4 VanDerWaalsContact O-N 3.08Å; F4-K6 VanDerWaalsContact C-N 3.31Å; F4-K6 PolarHBondContact O-N 3.25Å | ||
| 5 | M | 40 | Very low | 46.1 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -60.4 | 98.8 | 163.3 | -165.4 | 168.5 | 165.9 | 0 | 0 | 105.7 | G3 M7 | G3-M5 VanDerWaalsContact C-N 3.34Å; G3-M5 PolarHBondContact O-N 3.34Å; M5-M7 VanDerWaalsContact C-N 3.3Å; M5-M7 PolarHBondContact O-N 2.76Å | ||
| 6 | K | 38.7 | Very low | 46.3 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 72% | 0.717 | S | S | * | * | trans | -59 | 99.3 | 169 | -86.5 | -178.3 | 173.3 | -179.5 | 0 | 106 | F4 A8 | F4-K6 VanDerWaalsContact C-N 3.31Å; F4-K6 PolarHBondContact O-N 3.25Å; K6-A8 PolarHBondContact O-N 2.84Å | ||
| 7 | M | 43.8 | Very low | 46.4 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | -50.6 | 126.9 | 160.5 | -80.2 | 176.3 | 95.2 | 0 | 0 | 105.8 | M5 L9 | M5-M7 VanDerWaalsContact C-N 3.3Å; M5-M7 PolarHBondContact O-N 2.76Å; M7-L9 PolarHBondContact O-N 3Å | ||
| 8 | A | 40.1 | Very low | 46.4 | Very low | 86 Ų | 86 | 137.7 Ų | 137.7 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | trans | -50.8 | 120.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | K6 I10 | K6-A8 PolarHBondContact O-N 2.84Å; A8-I10 PolarHBondContact O-N 3.05Å | ||
| 9 | L | 47.2 | Very low | 46.7 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 92% | 0.916 | 70% | 0.695 | S | S | * | * | trans | -67 | 90 | 176.2 | -100.3 | 140.8 | 0 | 0 | 0 | 106.7 | M7 R11 | M7-L9 PolarHBondContact O-N 3Å; L9-R11 PolarHBondContact O-N 3.39Å | ||
| 10 | I | 51.7 | Low | 46.6 | Very low | 85 Ų | 85 | 131 Ų | 131 | 44% | 0.436 | 69% | 0.688 | S | S | . | * | trans | -64.6 | 116.5 | 172.2 | -65.3 | 176 | 0 | 0 | 0 | 106.5 | A8 R12 L43 | A8-I10 PolarHBondContact O-N 3.05Å; I10-R12 PolarHBondContact O-N 2.89Å; I10-L43 HydrophobicContact CG2-CD1 4.36Å; I10-L43 HydrophobicContact CG2-CD2 3.29Å; I10-L43 HydrophobicContact CG2-CG 4.07Å | ||
| 11 | R | 51.7 | Low | 46.4 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 59% | 0.592 | 70% | 0.7 | S | S | * | * | trans | -78.4 | 115.1 | -178.7 | -170.4 | 179 | -175.6 | -174.2 | -0.4 | 108.9 | L9 | L9-R11 PolarHBondContact O-N 3.39Š| ||
| 12 | R | 58 | Low | 46.7 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 50% | 0.498 | 65% | 0.653 | S | S | . | * | trans | -87.3 | 120.9 | 171.3 | -67.6 | -171.9 | -179.8 | -154 | -5.2 | 109.5 | I10 S14 D15 | I10-R12 PolarHBondContact O-N 2.89Å; R12-S14 VanDerWaalsContact C-N 3.35Å; R12-D15 HydrophobicContact CB-CB 4.49Å; R12-D15 WeakPolarHBondContact CB-OD2 3.15Å | ||
| 13 | Y | 56.7 | Low | 47.1 | Very low | 59 Ų | 59 | 118.3 Ų | 118.3 | 23% | 0.231 | 63% | 0.625 | C | S | . | * | S | Bend | trans | -76.8 | -28.7 | 178.8 | -87.3 | -87.9 | 0 | 0 | 0 | 111.4 | D15 V16 M17 D30 M33 | Y13-D15 PolarHBondContact O-N 2.82Å; Y13-D15 VanDerWaalsContact O-N 3.16Å; Y13-V16 PolarHBondContact O-N 2.94Å; Y13-V16 VanDerWaalsContact O-N 3.09Å; Y13-M17 PolarHBondContact O-N 3.36Å; Y13-D30 PolarHBondContact N-OD1 3.07Å; Y13-M33 HydrophobicContact CD1-CE 4.31Å; Y13-M33 HydrophobicContact CD2-CB 3.48Å; Y13-M33 VanDerWaalsContact CD2-CB 3.48Å; Y13-M33 HydrophobicContact CD2-CG 4.18Å; Y13-M33 HydrophobicContact CE1-CE 4.17Å; Y13-M33 HydrophobicContact CE2-CB 3.8Å; Y13-M33 HydrophobicContact CG-CB 4.03Å; Y13-M33 HydrophobicContact CG-CG 4.22Å |
| 14 | S | 56.6 | Low | 47.7 | Very low | 63 Ų | 63 | 118.6 Ų | 118.6 | 44% | 0.441 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.6 | -26.6 | 172.2 | 53.8 | 0 | 0 | 0 | 0 | 113.8 | R12 D30 | R12-S14 VanDerWaalsContact C-N 3.35Å; S14-D30 PolarHBondContact N-OD1 3.22Å; S14-D30 PolarHBondContact OG-OD1 2.81Å; S14-D30 PolarHBondContact OG-OD2 3.42Å |
| 15 | D | 53 | Low | 48.3 | Very low | 129 Ų | 129 | 110.4 Ų | 110.4 | 69% | 0.69 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -14 | -179.9 | -65.5 | -28.3 | 0 | 0 | 0 | 113.9 | R12 Y13 | R12-D15 HydrophobicContact CB-CB 4.49Å; R12-D15 WeakPolarHBondContact CB-OD2 3.15Å; Y13-D15 PolarHBondContact O-N 2.82Å; Y13-D15 VanDerWaalsContact O-N 3.16Å |
| 16 | V | 48 | Very low | 49.8 | Very low | 100 Ų | 100 | 110 Ų | 110 | 61% | 0.606 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -25.1 | -168.2 | -169 | 0 | 0 | 0 | 0 | 113.4 | Y13 | Y13-V16 PolarHBondContact O-N 2.94Å; Y13-V16 VanDerWaalsContact O-N 3.09Å |
| 17 | M | 48.6 | Very low | 51.9 | Low | 111 Ų | 111 | 100.7 Ų | 100.7 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | trans | -90.8 | 118.5 | 174.2 | -79.9 | -173.3 | 160.8 | 0 | 0 | 111 | Y13 M19 | Y13-M17 PolarHBondContact O-N 3.36Å; M17-M19 HydrophobicContact CB-CG 4.02Å; M17-M19 HydrophobicContact CB-SD 4.07Å; M17-M19 PolarHBondContact O-N 2.84Å; M17-M19 HydrophobicContact SD-SD 4.07Å | ||
| 18 | T | 46.8 | Very low | 54.3 | Low | 148 Ų | 148 | 93 Ų | 93 | 91% | 0.908 | 48% | 0.482 | S | S | * | . | trans | -68.4 | 83 | 158 | 37.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 19 | M | 51.2 | Low | 56.6 | Low | 57 Ų | 57 | 90 Ų | 90 | 28% | 0.281 | 45% | 0.454 | S | S | . | . | trans | -72 | 143.9 | 164.4 | -59.1 | -63.2 | -89.2 | 0 | 0 | 107.4 | M17 F23 C436 | M17-M19 HydrophobicContact CB-CG 4.02Å; M17-M19 HydrophobicContact CB-SD 4.07Å; M17-M19 PolarHBondContact O-N 2.84Å; M17-M19 HydrophobicContact SD-SD 4.07Å; M19-F23 HydrophobicContact CB-CB 3.88Å; M19-F23 HydrophobicContact CB-CD1 4.49Å; M19-F23 HydrophobicContact CB-CG 4.11Å; M19-F23 HydrophobicContact CE-CD1 4.11Å; M19-F23 HydrophobicContact CE-CD2 3.59Å; M19-F23 HydrophobicContact CE-CE1 3.94Å; M19-F23 HydrophobicContact CE-CE2 3.4Å; M19-F23 VanDerWaalsContact CE-CE2 3.4Å; M19-F23 HydrophobicContact CE-CG 3.94Å; M19-F23 HydrophobicContact CE-CZ 3.59Å; M19-C436 HydrophobicContact CE-CB 4.42Å | ||
| 20 | P | 46.3 | Very low | 58.6 | Low | 85 Ų | 85 | 82.4 Ų | 82.4 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | trans | -55.5 | 146.9 | 175.3 | -4.3 | 11 | 0 | 0 | 0 | 109.6 | S22 F23 | P20-S22 PolarHBondContact O-N 2.84Å; P20-F23 VanDerWaalsContact O-CB 3.29Å; P20-F23 WeakPolarHBondContact O-CB 3.27Å; P20-F23 PolarHBondContact O-N 2.74Å | ||
| 21 | D | 42 | Very low | 60.5 | Low | 176 Ų | 176 | 78.4 Ų | 78.4 | 94% | 0.941 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -13.4 | 174.7 | -74.3 | -27.3 | 0 | 0 | 0 | 112.8 | F23 | D21-F23 PolarHBondContact O-N 2.72Š|
| 22 | S | 43.1 | Very low | 62.3 | Low | 29 Ų | 29 | 71.6 Ų | 71.6 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10.1 | 170.6 | 69 | 0 | 0 | 0 | 0 | 114.2 | P20 I24 D519 | P20-S22 PolarHBondContact O-N 2.84Å; S22-I24 VanDerWaalsContact C-N 3.26Å; S22-I24 WeakPolarHBondContact O-CG1 3.44Å; S22-I24 PolarHBondContact O-N 3.49Å; S22-D519 VanDerWaalsContact CB-OD1 3.26Å; S22-D519 WeakPolarHBondContact CB-OD1 3.28Å; S22-D519 PolarHBondContact OG-OD1 3.3Å |
| 23 | F | 46.8 | Very low | 63.8 | Low | 56 Ų | 56 | 68.6 Ų | 68.6 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | trans | -73.9 | 79.2 | 177 | -152.9 | -97.8 | 0 | 0 | 0 | 110.5 | M19 P20 D21 Q25 L29 C436 | M19-F23 HydrophobicContact CB-CB 3.88Å; M19-F23 HydrophobicContact CB-CD1 4.49Å; M19-F23 HydrophobicContact CB-CG 4.11Å; M19-F23 HydrophobicContact CE-CD1 4.11Å; M19-F23 HydrophobicContact CE-CD2 3.59Å; M19-F23 HydrophobicContact CE-CE1 3.94Å; M19-F23 HydrophobicContact CE-CE2 3.4Å; M19-F23 VanDerWaalsContact CE-CE2 3.4Å; M19-F23 HydrophobicContact CE-CG 3.94Å; M19-F23 HydrophobicContact CE-CZ 3.59Å; P20-F23 VanDerWaalsContact O-CB 3.29Å; P20-F23 WeakPolarHBondContact O-CB 3.27Å; P20-F23 PolarHBondContact O-N 2.74Å; D21-F23 PolarHBondContact O-N 2.72Å; F23-Q25 HydrophobicContact CE1-CB 4.41Å; F23-Q25 WeakPolarHBondContact CE1-O 3.48Å; F23-Q25 PolarHBondContact O-N 2.79Å; F23-L29 HydrophobicContact CE1-CD2 3.93Å; F23-C436 HydrophobicContact CE2-CB 3.81Å; F23-C436 HydrophobicContact CZ-CB 4.17Å | ||
| 24 | I | 48.9 | Very low | 65.5 | Low | 86 Ų | 86 | 65.9 Ų | 65.9 | 44% | 0.441 | 35% | 0.352 | S | S | . | . | trans | -61.6 | -7.4 | -179.3 | -69 | 161.3 | 0 | 0 | 0 | 113 | S22 K516 | S22-I24 VanDerWaalsContact C-N 3.26Å; S22-I24 WeakPolarHBondContact O-CG1 3.44Å; S22-I24 PolarHBondContact O-N 3.49Å; I24-K516 HydrophobicContact CD1-CD 3.62Å; I24-K516 HydrophobicContact CD1-CG 3.97Å; I24-K516 HydrophobicContact CG1-CD 4.38Å; I24-K516 VanDerWaalsContact CG1-NZ 3.33Å | ||
| 25 | Q | 55.9 | Low | 67.3 | Low | 28 Ų | 28 | 69 Ų | 69 | 13% | 0.131 | 36% | 0.363 | C | S | . | . | trans | -125.1 | 81.1 | -146.1 | -63.5 | -176.6 | 1.2 | 0 | 0 | 111.9 | F23 Q27 I51 F514 | F23-Q25 HydrophobicContact CE1-CB 4.41Å; F23-Q25 WeakPolarHBondContact CE1-O 3.48Å; F23-Q25 PolarHBondContact O-N 2.79Å; Q25-Q27 HydrophobicContact CB-CG 3.76Å; Q25-I51 HydrophobicContact CB-CG2 3.86Å; Q25-I51 HydrophobicContact CG-CG2 3.36Å; Q25-I51 VanDerWaalsContact NE2-CG2 3.26Å; Q25-F514 PolarHBondContact NE2-O 3.23Å | ||
| 26 | R | 69.9 | Low | 69.4 | Low | 168 Ų | 168 | 66.3 Ų | 66.3 | 63% | 0.634 | 35% | 0.352 | S | S | * | . | trans | -60.5 | -42.2 | 175.2 | -98.6 | -173.9 | -166 | -166.4 | 4.9 | 112.8 | Q28 L29 Q48 | R26-Q28 PolarHBondContact O-N 3.34Å; R26-L29 VanDerWaalsContact O-CB 3.3Å; R26-L29 WeakPolarHBondContact O-CB 3.34Å; R26-L29 PolarHBondContact O-N 2.79Å; R26-Q48 HydrophobicContact CB-CB 4.35Å; R26-Q48 VanDerWaalsContact CD-OE1 3.26Å | ||
| 27 | Q | 84.4 | Confident | 71.7 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 40.9 | 28.5 | 158.2 | -68.3 | -169.8 | -58.4 | 0 | 0 | 118.7 | Q25 L29 E49 I51 R459 | Q25-Q27 HydrophobicContact CB-CG 3.76Å; Q27-L29 VanDerWaalsContact C-N 3.26Å; Q27-L29 PolarHBondContact O-N 2.89Å; Q27-E49 WeakPolarHBondContact CA-O 3.42Å; Q27-E49 PolarHBondContact N-O 3.38Å; Q27-I51 HydrophobicContact CG-CB 4.42Å; Q27-I51 HydrophobicContact CG-CG2 3.62Å; Q27-I51 VanDerWaalsContact NE2-CD1 3.3Å; Q27-R459 PolarHBondContact O-NH2 3.28Å |
| 28 | Q | 92.7 | Very high | 74.1 | Confident | 13 Ų | 13 | 67.2 Ų | 67.2 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60 | 34.2 | -169.4 | -42.6 | -60.8 | -27.8 | 0 | 0 | 112.8 | R26 D30 A31 S32 L44 D45 Q48 A399 | R26-Q28 PolarHBondContact O-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.46Å; Q28-A31 HydrophobicContact CB-CB 4.15Å; Q28-A31 PolarHBondContact O-N 2.83Å; Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 3.07Å; Q28-L44 HydrophobicContact CB-CD2 4.32Å; Q28-L44 HydrophobicContact CG-CD2 4.19Å; Q28-D45 PolarHBondContact NE2-O 3.18Å; Q28-D45 PolarHBondContact OE1-O 2.99Å; Q28-Q48 PolarHBondContact NE2-O 3.05Å; Q28-A399 HydrophobicContact CG-CB 4.03Å |
| 29 | L | 88.1 | Confident | 76.5 | Confident | 23 Ų | 23 | 63.1 Ų | 63.1 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | -175.9 | -175.1 | 67.6 | 0 | 0 | 0 | 112 | F23 R26 Q27 A31 S32 M33 | F23-L29 HydrophobicContact CE1-CD2 3.93Å; R26-L29 VanDerWaalsContact O-CB 3.3Å; R26-L29 WeakPolarHBondContact O-CB 3.34Å; R26-L29 PolarHBondContact O-N 2.79Å; Q27-L29 VanDerWaalsContact C-N 3.26Å; Q27-L29 PolarHBondContact O-N 2.89Å; L29-A31 PolarHBondContact O-N 3.36Å; L29-S32 WeakPolarHBondContact CA-OG 3.46Å; L29-S32 PolarHBondContact O-N 2.66Å; L29-S32 VanDerWaalsContact O-N 3.1Å; L29-S32 PolarHBondContact O-OG 3.39Å; L29-M33 WeakPolarHBondContact O-CG 3.33Å; L29-M33 PolarHBondContact O-N 3.1Å |
| 30 | D | 89.1 | Confident | 78.7 | Confident | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 176.8 | -73.1 | -36.8 | 0 | 0 | 0 | 111 | Y13 S14 Q28 S32 M33 | Y13-D30 PolarHBondContact N-OD1 3.07Å; S14-D30 PolarHBondContact N-OD1 3.22Å; S14-D30 PolarHBondContact OG-OD1 2.81Å; S14-D30 PolarHBondContact OG-OD2 3.42Å; Q28-D30 PolarHBondContact O-N 3.46Å; D30-S32 VanDerWaalsContact C-N 3.28Å; D30-S32 PolarHBondContact O-N 3.29Å; D30-M33 PolarHBondContact O-N 2.77Å |
| 31 | A | 93.3 | Very high | 81.2 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -36.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q28 L29 M33 A34 H40 L43 L44 | Q28-A31 HydrophobicContact CB-CB 4.15Å; Q28-A31 PolarHBondContact O-N 2.83Å; L29-A31 PolarHBondContact O-N 3.36Å; A31-M33 PolarHBondContact O-N 3.48Å; A31-A34 WeakPolarHBondContact O-CB 3.34Å; A31-A34 PolarHBondContact O-N 3.43Å; A31-H40 PolarHBondContact O-ND1 3.43Å; A31-L43 HydrophobicContact CB-CB 3.66Å; A31-L44 HydrophobicContact CB-CD2 4.03Å |
| 32 | S | 89.7 | Confident | 83.8 | Confident | 13 Ų | 13 | 56.3 Ų | 56.3 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.4 | -17.9 | 179.7 | 73.9 | 0 | 0 | 0 | 0 | 113.9 | Q28 L29 D30 R459 | Q28-S32 WeakPolarHBondContact O-CB 3.33Å; Q28-S32 PolarHBondContact O-N 3.07Å; L29-S32 WeakPolarHBondContact CA-OG 3.46Å; L29-S32 PolarHBondContact O-N 2.66Å; L29-S32 VanDerWaalsContact O-N 3.1Å; L29-S32 PolarHBondContact O-OG 3.39Å; D30-S32 VanDerWaalsContact C-N 3.28Å; D30-S32 PolarHBondContact O-N 3.29Å; S32-R459 PolarHBondContact OG-NH1 3.11Å |
| 33 | M | 88.7 | Confident | 86.3 | Confident | 70 Ų | 70 | 56 Ų | 56 | 35% | 0.345 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7.3 | 179.4 | -64.5 | -61.4 | -61.4 | 0 | 0 | 113.3 | Y13 L29 D30 A31 | Y13-M33 HydrophobicContact CD1-CE 4.31Å; Y13-M33 HydrophobicContact CD2-CB 3.48Å; Y13-M33 VanDerWaalsContact CD2-CB 3.48Å; Y13-M33 HydrophobicContact CD2-CG 4.18Å; Y13-M33 HydrophobicContact CE1-CE 4.17Å; Y13-M33 HydrophobicContact CE2-CB 3.8Å; Y13-M33 HydrophobicContact CG-CB 4.03Å; Y13-M33 HydrophobicContact CG-CG 4.22Å; L29-M33 WeakPolarHBondContact O-CG 3.33Å; L29-M33 PolarHBondContact O-N 3.1Å; D30-M33 PolarHBondContact O-N 2.77Å; A31-M33 PolarHBondContact O-N 3.48Å |
| 34 | A | 93.1 | Very high | 88.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | trans | -64.4 | 149.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 E39 H40 L43 Y402 | A31-A34 WeakPolarHBondContact O-CB 3.34Å; A31-A34 PolarHBondContact O-N 3.43Å; A34-E39 HydrophobicContact CB-CB 4.05Å; A34-E39 HydrophobicContact CB-CG 3.89Å; A34-H40 HydrophobicContact CB-CB 3.82Å; A34-H40 VanDerWaalsContact CB-N 3.33Å; A34-L43 HydrophobicContact CB-CD1 4.13Å; A34-Y402 WeakPolarHBondContact O-CE2 3.13Å; A34-Y402 PolarHBondContact O-OH 3.27Å | ||
| 35 | D | 94.4 | Very high | 90.9 | Very high | 127 Ų | 127 | 54.6 Ų | 54.6 | 68% | 0.679 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -83.2 | -17 | -180 | -72.4 | -39 | 0 | 0 | 0 | 112.5 | E39 | D35-E39 PolarHBondContact N-OE2 3.45Š|
| 36 | T | 96.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -138.2 | 155.9 | 179.4 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | L38 E39 H40 | T36-L38 VanDerWaalsContact C-N 3.27Å; T36-L38 PolarHBondContact O-N 3.33Å; T36-E39 PolarHBondContact O-N 3Å; T36-E39 WeakPolarHBondContact OG1-CB 3.14Å; T36-E39 PolarHBondContact OG1-N 2.74Å; T36-E39 VanDerWaalsContact OG1-N 3.16Å; T36-H40 WeakPolarHBondContact O-CB 3.47Å; T36-H40 PolarHBondContact O-N 3.01Å |
| 37 | F | 97.2 | Very high | 93.9 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 174.7 | -175.7 | -114.5 | 0 | 0 | 0 | 112.8 | H40 L41 Y402 | F37-H40 AromaticContact CD2-CD2 3.98Å; F37-H40 AromaticContact CE2-CD2 3.92Å; F37-H40 WeakPolarHBondContact O-CB 3.49Å; F37-H40 PolarHBondContact O-N 3.29Å; F37-L41 HydrophobicContact CD1-CD1 4.1Å; F37-L41 HydrophobicContact CD1-CG 4.43Å; F37-L41 HydrophobicContact CE1-CD1 3.65Å; F37-L41 HydrophobicContact CE1-CD2 4.34Å; F37-L41 HydrophobicContact CE1-CG 4.07Å; F37-L41 HydrophobicContact CE2-CD2 4.24Å; F37-L41 HydrophobicContact CE2-CG 4.39Å; F37-L41 HydrophobicContact CZ-CD1 4.06Å; F37-L41 HydrophobicContact CZ-CD2 3.87Å; F37-L41 HydrophobicContact CZ-CG 4.04Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.18Å; F37-Y402 HydrophobicContact CB-CD1 4.17Å; F37-Y402 HydrophobicContact CB-CE1 4.3Å; F37-Y402 AromaticContact CD2-CD1 3.81Å; F37-Y402 HydrophobicContact CD2-CD1 3.81Å; F37-Y402 HydrophobicContact CD2-CG 4.26Å; F37-Y402 HydrophobicContact CG-CD1 4.5Å |
| 38 | L | 98 | Very high | 94.1 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 64% | 0.644 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.3 | -43.1 | 178.1 | -178.8 | 60.4 | 0 | 0 | 0 | 111.7 | T36 H40 L41 C42 | T36-L38 VanDerWaalsContact C-N 3.27Å; T36-L38 PolarHBondContact O-N 3.33Å; L38-H40 VanDerWaalsContact C-N 3.34Å; L38-L41 PolarHBondContact O-N 2.86Å; L38-C42 PolarHBondContact O-N 2.84Å; L38-C42 PolarHBondContact O-SG 2.95Å; L38-C42 VanDerWaalsContact O-SG 3.35Å |
| 39 | E | 97.3 | Very high | 93.9 | Very high | 63 Ų | 63 | 66.5 Ų | 66.5 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 174.6 | -179.5 | 179.4 | -144.4 | 0 | 0 | 111.5 | A34 D35 T36 L41 C42 L43 | A34-E39 HydrophobicContact CB-CB 4.05Å; A34-E39 HydrophobicContact CB-CG 3.89Å; D35-E39 PolarHBondContact N-OE2 3.45Å; T36-E39 PolarHBondContact O-N 3Å; T36-E39 WeakPolarHBondContact OG1-CB 3.14Å; T36-E39 PolarHBondContact OG1-N 2.74Å; T36-E39 VanDerWaalsContact OG1-N 3.16Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.85Å; E39-C42 WeakPolarHBondContact O-CB 3.35Å; E39-C42 PolarHBondContact O-N 3.04Å; E39-C42 VanDerWaalsContact O-N 3.1Å; E39-L43 HydrophobicContact CG-CD1 3.91Å; E39-L43 WeakPolarHBondContact O-CB 3.42Å; E39-L43 WeakPolarHBondContact O-CG 3.34Å; E39-L43 PolarHBondContact O-N 2.86Å |
| 40 | H | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.009 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -52.1 | -49.1 | 172.1 | 166.6 | 78.3 | 0 | 0 | 0 | 111.2 | A31 A34 T36 F37 L38 C42 L43 L44 A400 Y402 | A31-H40 PolarHBondContact O-ND1 3.43Å; A34-H40 HydrophobicContact CB-CB 3.82Å; A34-H40 VanDerWaalsContact CB-N 3.33Å; T36-H40 WeakPolarHBondContact O-CB 3.47Å; T36-H40 PolarHBondContact O-N 3.01Å; F37-H40 AromaticContact CD2-CD2 3.98Å; F37-H40 AromaticContact CE2-CD2 3.92Å; F37-H40 WeakPolarHBondContact O-CB 3.49Å; F37-H40 PolarHBondContact O-N 3.29Å; L38-H40 VanDerWaalsContact C-N 3.34Å; H40-C42 PolarHBondContact O-N 3.16Å; H40-L43 PolarHBondContact O-N 2.89Å; H40-L43 VanDerWaalsContact O-N 3.15Å; H40-L44 PolarHBondContact O-N 2.87Å; H40-A400 PolarHBondContact CE1-O 2.92Å; H40-A400 PolarHBondContact NE2-O 3.27Å; H40-Y402 HydrophobicContact CB-CD2 4.03Å; H40-Y402 HydrophobicContact CB-CE2 4.31Å; H40-Y402 HydrophobicContact CB-CG 4.22Å; H40-Y402 AromaticContact CG-CD2 3.84Å; H40-Y402 AromaticContact CG-CG 3.91Å; H40-Y402 AromaticContact ND1-CD2 3.71Å |
| 41 | L | 97.5 | Very high | 94.2 | Very high | 81 Ų | 81 | 66.2 Ų | 66.2 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 177 | -67.6 | 177.7 | 0 | 0 | 0 | 112.8 | F37 L38 E39 L43 L44 | F37-L41 HydrophobicContact CD1-CD1 4.1Å; F37-L41 HydrophobicContact CD1-CG 4.43Å; F37-L41 HydrophobicContact CE1-CD1 3.65Å; F37-L41 HydrophobicContact CE1-CD2 4.34Å; F37-L41 HydrophobicContact CE1-CG 4.07Å; F37-L41 HydrophobicContact CE2-CD2 4.24Å; F37-L41 HydrophobicContact CE2-CG 4.39Å; F37-L41 HydrophobicContact CZ-CD1 4.06Å; F37-L41 HydrophobicContact CZ-CD2 3.87Å; F37-L41 HydrophobicContact CZ-CG 4.04Å; F37-L41 WeakPolarHBondContact O-CG 3.43Å; F37-L41 PolarHBondContact O-N 3.18Å; L38-L41 PolarHBondContact O-N 2.86Å; E39-L41 VanDerWaalsContact C-N 3.3Å; E39-L41 PolarHBondContact O-N 2.85Å; L41-L43 PolarHBondContact O-N 3.25Å; L41-L44 HydrophobicContact CD2-CD1 4.09Å; L41-L44 PolarHBondContact O-N 3.05Å |
| 42 | C | 97.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 62% | 0.615 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.4 | -23.2 | 177 | -68.3 | 0 | 0 | 0 | 0 | 113.5 | L38 E39 H40 | L38-C42 PolarHBondContact O-N 2.84Å; L38-C42 PolarHBondContact O-SG 2.95Å; L38-C42 VanDerWaalsContact O-SG 3.35Å; E39-C42 WeakPolarHBondContact O-CB 3.35Å; E39-C42 PolarHBondContact O-N 3.04Å; E39-C42 VanDerWaalsContact O-N 3.1Å; H40-C42 PolarHBondContact O-N 3.16Å |
| 43 | L | 96.3 | Very high | 94.3 | Very high | 23 Ų | 23 | 69.3 Ų | 69.3 | 12% | 0.12 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -94 | -6.9 | -176.8 | -82.9 | 172.7 | 0 | 0 | 0 | 114.3 | I10 A31 A34 E39 H40 L41 D45 | I10-L43 HydrophobicContact CG2-CD1 4.36Å; I10-L43 HydrophobicContact CG2-CD2 3.29Å; I10-L43 HydrophobicContact CG2-CG 4.07Å; A31-L43 HydrophobicContact CB-CB 3.66Å; A34-L43 HydrophobicContact CB-CD1 4.13Å; E39-L43 HydrophobicContact CG-CD1 3.91Å; E39-L43 WeakPolarHBondContact O-CB 3.42Å; E39-L43 WeakPolarHBondContact O-CG 3.34Å; E39-L43 PolarHBondContact O-N 2.86Å; H40-L43 PolarHBondContact O-N 2.89Å; H40-L43 VanDerWaalsContact O-N 3.15Å; L41-L43 PolarHBondContact O-N 3.25Å; L43-D45 PolarHBondContact O-N 3.27Å |
| 44 | L | 96.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 36% | 0.361 | 36% | 0.356 | S | S | . | . | trans | -60.7 | 130.3 | 175.5 | -67.3 | 175.9 | 0 | 0 | 0 | 110.3 | Q28 A31 H40 L41 A400 | Q28-L44 HydrophobicContact CB-CD2 4.32Å; Q28-L44 HydrophobicContact CG-CD2 4.19Å; A31-L44 HydrophobicContact CB-CD2 4.03Å; H40-L44 PolarHBondContact O-N 2.87Å; L41-L44 HydrophobicContact CD2-CD1 4.09Å; L41-L44 PolarHBondContact O-N 3.05Å; L44-A400 HydrophobicContact CD2-CB 3.91Å | ||
| 45 | D | 95.4 | Very high | 94.9 | Very high | 44 Ų | 44 | 68 Ų | 68 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | trans | -132.6 | 118.3 | -170.4 | 177.8 | 4.3 | 0 | 0 | 0 | 110.3 | Q28 L43 D47 Q48 | Q28-D45 PolarHBondContact NE2-O 3.18Å; Q28-D45 PolarHBondContact OE1-O 2.99Å; L43-D45 PolarHBondContact O-N 3.27Å; D45-D47 PolarHBondContact O-N 3.23Å; D45-D47 PolarHBondContact OD1-N 3.1Å; D45-Q48 HydrophobicContact CB-CG 3.64Å; D45-Q48 PolarHBondContact O-N 3.06Å; D45-Q48 WeakPolarHBondContact OD2-CG 3.41Å; D45-Q48 PolarHBondContact OD2-NE2 3.44Å; D45-Q48 VanDerWaalsContact OD2-NE2 3.14Å | ||
| 46 | I | 95.3 | Very high | 95.1 | Very high | 165 Ų | 165 | 61.9 Ų | 61.9 | 85% | 0.846 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -16.5 | -176 | 62.5 | 172.7 | 0 | 0 | 0 | 113.5 | Q48 | I46-Q48 VanDerWaalsContact C-N 3.33Š|
| 47 | D | 92.1 | Very high | 95.2 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.7 | 179.4 | -63.6 | -38.5 | 0 | 0 | 0 | 112.1 | D45 | D45-D47 PolarHBondContact O-N 3.23Å; D45-D47 PolarHBondContact OD1-N 3.1Å |
| 48 | Q | 89.6 | Confident | 95.3 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -92.5 | 109.9 | 176.1 | -56.7 | -77.3 | -36.4 | 0 | 0 | 110.6 | R26 Q28 D45 I46 | R26-Q48 HydrophobicContact CB-CB 4.35Å; R26-Q48 VanDerWaalsContact CD-OE1 3.26Å; Q28-Q48 PolarHBondContact NE2-O 3.05Å; D45-Q48 HydrophobicContact CB-CG 3.64Å; D45-Q48 PolarHBondContact O-N 3.06Å; D45-Q48 WeakPolarHBondContact OD2-CG 3.41Å; D45-Q48 PolarHBondContact OD2-NE2 3.44Å; D45-Q48 VanDerWaalsContact OD2-NE2 3.14Å; I46-Q48 VanDerWaalsContact C-N 3.33Å |
| 49 | E | 88.9 | Confident | 95.4 | Very high | 155 Ų | 155 | 47.6 Ų | 47.6 | 72% | 0.724 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 142.9 | 179.8 | -63.5 | -175.2 | 171.3 | 0 | 0 | 113.1 | Q27 | Q27-E49 WeakPolarHBondContact CA-O 3.42Å; Q27-E49 PolarHBondContact N-O 3.38Å |
| 50 | P | 92.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 44.6 Ų | 44.6 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 167 | 173.5 | 34 | -36.9 | 0 | 0 | 0 | 111.6 | R395 E396 A399 | P50-R395 HydrophobicContact CB-CB 4.22Å; P50-R395 WeakPolarHBondContact CB-O 3.22Å; P50-R395 HydrophobicContact CG-CB 4.06Å; P50-R395 PolarHBondContact O-NH2 2.82Å; P50-E396 VanDerWaalsContact CD-OE1 3.23Å; P50-E396 WeakPolarHBondContact CD-OE1 3.23Å; P50-E396 HydrophobicContact CG-CG 4.48Å; P50-E396 WeakPolarHBondContact CG-OE1 3.43Å; P50-A399 HydrophobicContact CB-CB 3.97Å |
| 51 | I | 90.9 | Very high | 95.5 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.077 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -65.4 | 157.8 | 175.3 | 45.9 | 176.9 | 0 | 0 | 0 | 114.2 | Q25 Q27 A53 R395 | Q25-I51 HydrophobicContact CB-CG2 3.86Å; Q25-I51 HydrophobicContact CG-CG2 3.36Å; Q25-I51 VanDerWaalsContact NE2-CG2 3.26Å; Q27-I51 HydrophobicContact CG-CB 4.42Å; Q27-I51 HydrophobicContact CG-CG2 3.62Å; Q27-I51 VanDerWaalsContact NE2-CD1 3.3Å; I51-A53 VanDerWaalsContact C-N 3.28Å; I51-A53 HydrophobicContact CD1-CB 4Å; I51-A53 HydrophobicContact CG1-CB 4.47Å; I51-A53 PolarHBondContact O-N 2.95Å; I51-R395 VanDerWaalsContact C-NH2 3.32Å; I51-R395 PolarHBondContact O-NE 3.11Å; I51-R395 PolarHBondContact O-NH2 3.3Å |
| 52 | T | 91.4 | Very high | 95.6 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 45% | 0.448 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -54.3 | -41.4 | 170.8 | -45.6 | 0 | 0 | 0 | 0 | 112.9 | R512 G513 | T52-R512 WeakPolarHBondContact CG2-O 3.47Å; T52-G513 PolarHBondContact OG1-O 2.88Å |
| 53 | A | 92.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | trans | -69.2 | 148.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I51 P461 F514 | I51-A53 VanDerWaalsContact C-N 3.28Å; I51-A53 HydrophobicContact CD1-CB 4Å; I51-A53 HydrophobicContact CG1-CB 4.47Å; I51-A53 PolarHBondContact O-N 2.95Å; A53-P461 HydrophobicContact CB-CB 4.02Å; A53-P461 HydrophobicContact CB-CG 3.87Å; A53-F514 HydrophobicContact CB-CD1 3.75Å; A53-F514 HydrophobicContact CB-CE1 3.71Å; A53-F514 HydrophobicContact CB-CG 4.41Å; A53-F514 HydrophobicContact CB-CZ 4.34Å | ||
| 54 | R | 97.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 14% | 0.136 | 22% | 0.221 | C | C | . | . | trans | -125.6 | 118.9 | 171 | -176.3 | -144.6 | 60.3 | -175.8 | 7.5 | 109.1 | T56 G79 N81 C394 R395 E398 | R54-T56 WeakPolarHBondContact CD-O 3.5Å; R54-T56 PolarHBondContact NE-O 3.12Å; R54-T56 PolarHBondContact NH2-O 3.34Å; R54-G79 PolarHBondContact NH1-O 3.11Å; R54-N81 PolarHBondContact NH1-OD1 3.31Å; R54-N81 PolarHBondContact NH2-ND2 2.87Å; R54-N81 VanDerWaalsContact NH2-ND2 3.12Å; R54-N81 PolarHBondContact NH2-OD1 3.35Å; R54-C394 HydrophobicContact CG-CB 3.88Å; R54-R395 HydrophobicContact CB-CG 3.56Å; R54-R395 HydrophobicContact CG-CG 3.72Å; R54-E398 VanDerWaalsContact CA-OE2 3.31Å; R54-E398 WeakPolarHBondContact CA-OE2 3.48Å | ||
| 55 | N | 98.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | trans | -82.5 | -34.9 | -172.2 | -70.9 | -16.9 | 0 | 0 | 0 | 113.2 | E398 R459 R479 G480 | N55-E398 HydrophobicContact CB-CG 4.35Å; N55-E398 VanDerWaalsContact N-CD 3.29Å; N55-E398 PolarHBondContact N-OE1 2.78Å; N55-E398 PolarHBondContact N-OE2 3.4Å; N55-R459 PolarHBondContact ND2-O 3.4Å; N55-R459 VanDerWaalsContact ND2-O 3.08Å; N55-R479 HydrophobicContact CB-CG 4.16Å; N55-R479 WeakPolarHBondContact O-CA 3.46Å; N55-G480 PolarHBondContact O-N 3Å | ||
| 56 | T | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -78.7 | 129.7 | -179.5 | -48.1 | 0 | 0 | 0 | 0 | 109.8 | R54 V364 V371 E398 R479 | R54-T56 WeakPolarHBondContact CD-O 3.5Å; R54-T56 PolarHBondContact NE-O 3.12Å; R54-T56 PolarHBondContact NH2-O 3.34Å; T56-V364 HydrophobicContact CG2-CG2 4.06Å; T56-V371 HydrophobicContact CG2-CG1 4.17Å; T56-V371 HydrophobicContact CG2-CG2 4.26Å; T56-E398 WeakPolarHBondContact CB-OE1 3.36Å; T56-E398 PolarHBondContact N-OE1 3.41Å; T56-E398 PolarHBondContact OG1-OE1 2.83Å; T56-R479 PolarHBondContact OG1-NH1 3.25Å |
| 57 | S | 98.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 147.4 | 178.6 | -78.3 | 0 | 0 | 0 | 0 | 113.1 | D369 C370 V371 Q476 | S57-D369 PolarHBondContact N-O 3.15Å; S57-C370 CarbonylContact O-C 3.48Å; S57-C370 WeakPolarHBondContact O-CA 3.48Å; S57-C370 WeakPolarHBondContact O-CB 3.26Å; S57-V371 PolarHBondContact O-N 2.88Å; S57-Q476 WeakPolarHBondContact CB-O 3.2Å; S57-Q476 PolarHBondContact OG-O 3.24Å |
| 58 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.1 | 175.3 | -64.5 | 172.4 | 0 | 0 | 0 | 109.2 | N81 I82 V371 L373 M390 H391 | I58-N81 PolarHBondContact N-OD1 2.83Å; I58-N81 PolarHBondContact O-N 3.09Å; I58-I82 PolarHBondContact O-N 3.14Å; I58-V371 WeakPolarHBondContact CA-O 3.43Å; I58-V371 HydrophobicContact CG1-CG2 4.02Å; I58-L373 HydrophobicContact CG2-CD1 4.44Å; I58-M390 HydrophobicContact CD1-CB 3.83Å; I58-M390 HydrophobicContact CD1-CG 3.6Å; I58-M390 HydrophobicContact CG1-CB 4.46Å; I58-M390 HydrophobicContact CG1-CG 3.7Å; I58-M390 HydrophobicContact CG2-CG 4.23Å; I58-H391 HydrophobicContact CD1-CB 3.91Å |
| 59 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129 | 171.1 | -58.8 | 155.9 | 0 | 0 | 0 | 107.9 | I82 R84 F253 I337 C370 V371 M372 L373 | I59-I82 CarbonylContact C-O 3.47Å; I59-I82 WeakPolarHBondContact CA-O 3.49Å; I59-I82 HydrophobicContact CB-CB 4.31Å; I59-I82 HydrophobicContact CD1-CD1 4.48Å; I59-I82 HydrophobicContact CG1-CB 3.79Å; I59-I82 HydrophobicContact CG1-CD1 3.89Å; I59-I82 HydrophobicContact CG1-CG1 4.22Å; I59-I82 HydrophobicContact CG1-CG2 4.21Å; I59-I82 HydrophobicContact CG2-CB 4.3Å; I59-I82 HydrophobicContact CG2-CG2 4.19Å; I59-R84 HydrophobicContact CG2-CB 3.82Å; I59-F253 HydrophobicContact CD1-CZ 4.13Å; I59-F253 HydrophobicContact CG2-CE2 4.08Å; I59-F253 HydrophobicContact CG2-CZ 4.25Å; I59-I337 HydrophobicContact CD1-CB 4.34Å; I59-I337 HydrophobicContact CD1-CD1 3.61Å; I59-I337 HydrophobicContact CD1-CG1 3.94Å; I59-I337 HydrophobicContact CD1-CG2 3.5Å; I59-C370 HydrophobicContact CD1-CB 3.56Å; I59-C370 HydrophobicContact CG1-CB 4.12Å; I59-V371 PolarHBondContact N-O 3.08Å; I59-M372 HydrophobicContact CB-CB 4.04Å; I59-M372 HydrophobicContact CB-CG 3.82Å; I59-M372 HydrophobicContact CB-SD 4.47Å; I59-M372 HydrophobicContact CD1-CB 4.47Å; I59-M372 HydrophobicContact CG2-CB 4.47Å; I59-M372 HydrophobicContact CG2-CG 3.73Å; I59-M372 HydrophobicContact CG2-SD 3.92Å; I59-M372 WeakPolarHBondContact O-CA 3.48Å; I59-L373 PolarHBondContact O-N 3.11Å |
| 60 | C | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 110 | I62 M75 M80 I82 R84 T377 | C60-I62 HydrophobicContact CB-CD1 4.45Å; C60-M75 HydrophobicContact CB-CE 3.57Å; C60-M80 HydrophobicContact CB-CG 3.87Å; C60-M80 HydrophobicContact CB-SD 3.64Å; C60-I82 PolarHBondContact N-O 3.27Å; C60-R84 PolarHBondContact O-N 3.37Å; C60-T377 HydrophobicContact CB-CG2 4.14Å |
| 61 | T | 98.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 26.8 Ų | 26.8 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 126.8 | 171.2 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | R84 N86 L373 S374 T377 A378 | T61-R84 WeakPolarHBondContact CA-O 3.39Å; T61-R84 HydrophobicContact CG2-CG 4.46Å; T61-R84 VanDerWaalsContact CG2-NH1 3.26Å; T61-R84 WeakPolarHBondContact OG1-CD 3.25Å; T61-R84 PolarHBondContact OG1-NH1 2.92Å; T61-N86 HydrophobicContact CG2-CB 4.3Å; T61-L373 WeakPolarHBondContact CB-O 3.28Å; T61-L373 PolarHBondContact N-O 3.23Å; T61-L373 PolarHBondContact OG1-O 3.13Å; T61-S374 WeakPolarHBondContact CB-O 3.43Å; T61-S374 WeakPolarHBondContact OG1-CA 3.2Å; T61-T377 PolarHBondContact N-OG1 2.86Å; T61-T377 VanDerWaalsContact N-OG1 3.14Å; T61-T377 CarbonylContact O-C 3.21Å; T61-T377 WeakPolarHBondContact O-CB 3.39Å; T61-T377 PolarHBondContact O-OG1 2.83Å; T61-A378 HydrophobicContact CG2-CB 3.87Å; T61-A378 WeakPolarHBondContact O-CA 3.44Å; T61-A378 PolarHBondContact O-N 3.31Å |
| 62 | I | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | trans | -92.9 | 133.8 | -179.8 | -50.9 | -52.7 | 0 | 0 | 0 | 109.6 | C60 R67 L72 M75 M80 A83 R84 L85 T98 I102 | C60-I62 HydrophobicContact CB-CD1 4.45Å; I62-R67 HydrophobicContact CG2-CB 3.91Å; I62-L72 HydrophobicContact CD1-CD2 3.81Å; I62-L72 HydrophobicContact CG1-CD2 4.35Å; I62-L72 HydrophobicContact CG2-CD2 4.3Å; I62-M75 HydrophobicContact CD1-CE 4.39Å; I62-M80 HydrophobicContact CD1-SD 3.85Å; I62-A83 HydrophobicContact CD1-CB 4.25Å; I62-A83 HydrophobicContact CG1-CB 3.79Å; I62-R84 PolarHBondContact N-O 3.13Å; I62-L85 HydrophobicContact CB-CD2 4.29Å; I62-T98 HydrophobicContact CB-CG2 4.14Å; I62-T98 HydrophobicContact CG2-CG2 3.54Å; I62-I102 HydrophobicContact CG1-CD1 4.25Å | ||
| 63 | G | 98 | Very high | 98.1 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -156.5 | -163.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A65 S66 R67 A378 | G63-A65 PolarHBondContact O-N 3.01Å; G63-A65 VanDerWaalsContact O-N 3.11Å; G63-S66 PolarHBondContact N-OG 3.36Å; G63-S66 VanDerWaalsContact N-OG 3.08Å; G63-S66 PolarHBondContact O-N 3.08Å; G63-S66 PolarHBondContact O-OG 3.07Å; G63-R67 WeakPolarHBondContact O-CB 3.24Å; G63-R67 PolarHBondContact O-N 3.14Å; G63-A378 CarbonylContact C-O 3.57Å; G63-A378 VanDerWaalsContact CA-O 3.3Å; G63-A378 WeakPolarHBondContact CA-O 3.49Å |
| 64 | P | 97.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 28.4 Ų | 28.4 | 70% | 0.695 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -35.8 | -178.2 | -28.7 | 36.1 | 0 | 0 | 0 | 114.7 | S66 A378 | P64-S66 VanDerWaalsContact C-N 3.31Å; P64-S66 PolarHBondContact O-N 2.89Å; P64-A378 VanDerWaalsContact CD-O 3.31Å; P64-A378 WeakPolarHBondContact CD-O 3.49Å; P64-A378 VanDerWaalsContact N-O 3.16Å |
| 65 | A | 97.4 | Very high | 98.5 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 26% | 0.256 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -17.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G63 A378 G380 | G63-A65 PolarHBondContact O-N 3.01Å; G63-A65 VanDerWaalsContact O-N 3.11Å; A65-A378 PolarHBondContact N-O 3.21Å; A65-G380 WeakPolarHBondContact CB-O 3.44Å |
| 66 | S | 98 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -5.9 | -166.8 | 46.4 | 0 | 0 | 0 | 0 | 115.5 | G63 P64 S68 L72 M75 T377 | G63-S66 PolarHBondContact N-OG 3.36Å; G63-S66 VanDerWaalsContact N-OG 3.08Å; G63-S66 PolarHBondContact O-N 3.08Å; G63-S66 PolarHBondContact O-OG 3.07Å; P64-S66 VanDerWaalsContact C-N 3.31Å; P64-S66 PolarHBondContact O-N 2.89Å; S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact O-N 3.1Å; S66-L72 WeakPolarHBondContact O-CD2 3.4Å; S66-L72 VanDerWaalsContact O-CG 3.26Å; S66-L72 WeakPolarHBondContact O-CG 3.37Å; S66-M75 WeakPolarHBondContact CB-SD 3.21Å; S66-T377 WeakPolarHBondContact CB-O 3.33Å; S66-T377 PolarHBondContact OG-O 3.46Å |
| 67 | R | 97.8 | Very high | 98.4 | Very high | 49 Ų | 49 | 32.2 Ų | 32.2 | 19% | 0.185 | 18% | 0.177 | C | C | . | . | trans | -76.9 | -8.5 | -171.4 | 72.6 | -174.1 | -56.8 | -126.5 | -1.4 | 116.6 | I62 G63 Y94 E97 T98 N101 | I62-R67 HydrophobicContact CG2-CB 3.91Å; G63-R67 WeakPolarHBondContact O-CB 3.24Å; G63-R67 PolarHBondContact O-N 3.14Å; R67-Y94 WeakPolarHBondContact CD-OH 3.23Å; R67-Y94 PolarHBondContact NH2-O 2.87Å; R67-E97 IonicContact CZ-OE2 3.38Å; R67-E97 IonicContact NH1-OE2 3.22Å; R67-E97 PolarHBondContact NH1-OE2 3.21Å; R67-E97 VanDerWaalsContact NH2-CD 3.34Å; R67-E97 IonicContact NH2-OE2 2.71Å; R67-E97 PolarHBondContact NH2-OE2 2.7Å; R67-T98 HydrophobicContact CB-CG2 4.42Å; R67-T98 PolarHBondContact NE-OG1 3.3Å; R67-T98 PolarHBondContact NH2-OG1 3.43Å; R67-N101 WeakPolarHBondContact O-CB 3.38Å; R67-N101 PolarHBondContact O-ND2 3.19Å | ||
| 68 | S | 98.6 | Very high | 98.4 | Very high | 58 Ų | 58 | 33.3 Ų | 33.3 | 41% | 0.406 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -78 | 144.2 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 111.2 | S66 K71 L72 | S66-S68 VanDerWaalsContact C-N 3.35Å; S66-S68 PolarHBondContact O-N 3.1Å; S68-K71 PolarHBondContact O-N 2.91Å; S68-K71 VanDerWaalsContact O-N 3.11Å; S68-K71 VanDerWaalsContact OG-CB 3.28Å; S68-K71 WeakPolarHBondContact OG-CB 3.48Å; S68-L72 WeakPolarHBondContact O-CG 3.32Å; S68-L72 PolarHBondContact O-N 2.95Å |
| 69 | V | 98.8 | Very high | 98.3 | Very high | 23 Ų | 23 | 33.7 Ų | 33.7 | 14% | 0.139 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -53.1 | -47.3 | -178.9 | 175.7 | 0 | 0 | 0 | 0 | 112.7 | K71 L72 Q73 N101 E104 A105 | V69-K71 VanDerWaalsContact C-N 3.35Å; V69-K71 PolarHBondContact O-N 3.23Å; V69-L72 PolarHBondContact O-N 2.93Å; V69-Q73 WeakPolarHBondContact O-CG 3.5Å; V69-Q73 PolarHBondContact O-N 2.84Å; V69-N101 HydrophobicContact CG2-CB 3.9Å; V69-E104 HydrophobicContact CG1-CG 4.25Å; V69-E104 HydrophobicContact CG2-CB 4.24Å; V69-E104 HydrophobicContact CG2-CG 4.27Å; V69-A105 HydrophobicContact CG1-CB 4.04Å |
| 70 | P | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 34 Ų | 34 | 53% | 0.532 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.1 | -23.3 | 35 | 0 | 0 | 0 | 112.8 | Q73 E74 | P70-Q73 PolarHBondContact O-N 3.44Å; P70-E74 WeakPolarHBondContact O-CG 3.25Å; P70-E74 PolarHBondContact O-N 2.97Å; P70-E74 VanDerWaalsContact O-N 3.07Å |
| 71 | K | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 34.9 Ų | 34.9 | 24% | 0.235 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | 179.9 | -171.1 | 58.3 | 62.2 | -163.9 | 0 | 111.5 | S68 V69 Q73 E74 M75 P383 L384 | S68-K71 PolarHBondContact O-N 2.91Å; S68-K71 VanDerWaalsContact O-N 3.11Å; S68-K71 VanDerWaalsContact OG-CB 3.28Å; S68-K71 WeakPolarHBondContact OG-CB 3.48Å; V69-K71 VanDerWaalsContact C-N 3.35Å; V69-K71 PolarHBondContact O-N 3.23Å; K71-Q73 VanDerWaalsContact C-N 3.35Å; K71-Q73 PolarHBondContact O-N 2.83Å; K71-E74 WeakPolarHBondContact CE-OE2 3.29Å; K71-E74 IonicContact NZ-OE2 2.72Å; K71-E74 PolarHBondContact NZ-OE2 3.42Å; K71-E74 WeakPolarHBondContact O-CB 3.24Å; K71-E74 PolarHBondContact O-N 3.21Å; K71-M75 WeakPolarHBondContact O-CG 3.42Å; K71-M75 PolarHBondContact O-N 3.16Å; K71-P383 HydrophobicContact CD-CG 4.47Å; K71-L384 HydrophobicContact CD-CD1 4.12Å; K71-L384 HydrophobicContact CD-CD2 3.84Å; K71-L384 HydrophobicContact CD-CG 3.88Å |
| 72 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -44.2 | 173.9 | -72.1 | 164.7 | 0 | 0 | 0 | 111.3 | I62 S66 S68 V69 E74 M75 V76 M80 N101 I102 A105 | I62-L72 HydrophobicContact CD1-CD2 3.81Å; I62-L72 HydrophobicContact CG1-CD2 4.35Å; I62-L72 HydrophobicContact CG2-CD2 4.3Å; S66-L72 WeakPolarHBondContact O-CD2 3.4Å; S66-L72 VanDerWaalsContact O-CG 3.26Å; S66-L72 WeakPolarHBondContact O-CG 3.37Å; S68-L72 WeakPolarHBondContact O-CG 3.32Å; S68-L72 PolarHBondContact O-N 2.95Å; V69-L72 PolarHBondContact O-N 2.93Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 2.98Å; L72-M75 PolarHBondContact O-N 3.12Å; L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.06Å; L72-V76 PolarHBondContact O-N 3.25Å; L72-M80 HydrophobicContact CD2-CE 4.18Å; L72-N101 HydrophobicContact CD1-CB 3.82Å; L72-I102 HydrophobicContact CD1-CG1 3.99Å; L72-I102 HydrophobicContact CD2-CG1 4.06Å; L72-A105 HydrophobicContact CB-CB 3.53Å; L72-A105 HydrophobicContact CD1-CB 4.34Å |
| 73 | Q | 98.6 | Very high | 98.3 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 19% | 0.192 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 174.9 | -71.7 | 177.8 | -19.8 | 0 | 0 | 111.7 | V69 P70 K71 V76 K77 A105 T108 I109 | V69-Q73 WeakPolarHBondContact O-CG 3.5Å; V69-Q73 PolarHBondContact O-N 2.84Å; P70-Q73 PolarHBondContact O-N 3.44Å; K71-Q73 VanDerWaalsContact C-N 3.35Å; K71-Q73 PolarHBondContact O-N 2.83Å; Q73-V76 PolarHBondContact O-N 2.89Å; Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.4Å; Q73-A105 HydrophobicContact CG-CB 3.89Å; Q73-A105 WeakPolarHBondContact CG-O 3.33Å; Q73-T108 PolarHBondContact NE2-OG1 3.43Å; Q73-I109 HydrophobicContact CB-CG1 4.43Å; Q73-I109 HydrophobicContact CG-CB 4.37Å; Q73-I109 HydrophobicContact CG-CG1 4.44Å |
| 74 | E | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 34.8 Ų | 34.8 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 175.3 | -68.5 | 178.5 | 130.6 | 0 | 0 | 111.9 | P70 K71 L72 K77 A78 L384 | P70-E74 WeakPolarHBondContact O-CG 3.25Å; P70-E74 PolarHBondContact O-N 2.97Å; P70-E74 VanDerWaalsContact O-N 3.07Å; K71-E74 WeakPolarHBondContact CE-OE2 3.29Å; K71-E74 IonicContact NZ-OE2 2.72Å; K71-E74 PolarHBondContact NZ-OE2 3.42Å; K71-E74 WeakPolarHBondContact O-CB 3.24Å; K71-E74 PolarHBondContact O-N 3.21Å; L72-E74 VanDerWaalsContact C-N 3.33Å; L72-E74 PolarHBondContact O-N 2.98Å; E74-K77 WeakPolarHBondContact O-CB 3.4Å; E74-K77 PolarHBondContact O-N 2.89Å; E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.06Å; E74-L384 HydrophobicContact CB-CD1 3.85Å; E74-L384 HydrophobicContact CB-CD2 3.52Å; E74-L384 HydrophobicContact CB-CG 4.34Å; E74-L384 HydrophobicContact CG-CD1 4.37Å; E74-L384 WeakPolarHBondContact OE2-CD1 3.42Å |
| 75 | M | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.5 | -71.6 | -179.1 | 73.4 | 0 | 0 | 112.6 | C60 I62 S66 K71 L72 K77 A78 G79 M80 T377 L384 V387 | C60-M75 HydrophobicContact CB-CE 3.57Å; I62-M75 HydrophobicContact CD1-CE 4.39Å; S66-M75 WeakPolarHBondContact CB-SD 3.21Å; K71-M75 WeakPolarHBondContact O-CG 3.42Å; K71-M75 PolarHBondContact O-N 3.16Å; L72-M75 PolarHBondContact O-N 3.12Å; M75-K77 VanDerWaalsContact C-N 3.32Å; M75-K77 PolarHBondContact O-N 3.07Å; M75-A78 PolarHBondContact O-N 3.49Å; M75-G79 PolarHBondContact O-N 3.2Å; M75-M80 HydrophobicContact CB-CB 4.24Å; M75-M80 HydrophobicContact CB-CE 4.15Å; M75-M80 HydrophobicContact CB-SD 4.27Å; M75-M80 HydrophobicContact CE-SD 4.04Å; M75-M80 WeakPolarHBondContact O-CB 3.45Å; M75-M80 PolarHBondContact O-N 3.29Å; M75-T377 HydrophobicContact CE-CG2 3.68Å; M75-L384 HydrophobicContact CB-CD2 4.35Å; M75-L384 HydrophobicContact CG-CD2 3.53Å; M75-V387 HydrophobicContact CE-CG2 3.84Å; M75-V387 HydrophobicContact CG-CG2 4.48Å |
| 76 | V | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 174.6 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L72 Q73 G79 M80 I109 R117 V119 | L72-V76 VanDerWaalsContact O-CG2 3.32Å; L72-V76 WeakPolarHBondContact O-CG2 3.06Å; L72-V76 PolarHBondContact O-N 3.25Å; Q73-V76 PolarHBondContact O-N 2.89Å; V76-G79 PolarHBondContact O-N 2.85Å; V76-M80 HydrophobicContact CG2-CE 3.48Å; V76-M80 VanDerWaalsContact CG2-CE 3.48Å; V76-I109 HydrophobicContact CB-CD1 3.77Å; V76-I109 HydrophobicContact CG1-CD1 3.56Å; V76-R117 HydrophobicContact CG1-CB 4Å; V76-R117 PolarHBondContact O-NH1 3.04Å; V76-V119 HydrophobicContact CG1-CG2 4.09Å; V76-V119 HydrophobicContact CG2-CG2 3.7Å |
| 77 | K | 97.1 | Very high | 98.3 | Very high | 123 Ų | 123 | 30.7 Ų | 30.7 | 54% | 0.535 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 174 | -70.5 | 174.2 | -172.6 | 174.6 | 0 | 111.5 | Q73 E74 M75 G79 I109 R117 | Q73-K77 VanDerWaalsContact O-CG 3.3Å; Q73-K77 WeakPolarHBondContact O-CG 3.38Å; Q73-K77 PolarHBondContact O-N 3.4Å; E74-K77 WeakPolarHBondContact O-CB 3.4Å; E74-K77 PolarHBondContact O-N 2.89Å; M75-K77 VanDerWaalsContact C-N 3.32Å; M75-K77 PolarHBondContact O-N 3.07Å; K77-G79 VanDerWaalsContact C-N 3.28Å; K77-G79 PolarHBondContact O-N 3.01Å; K77-I109 HydrophobicContact CG-CD1 3.86Å; K77-I109 HydrophobicContact CG-CG1 4.4Å; K77-R117 PolarHBondContact O-NH1 3.27Å |
| 78 | A | 97.7 | Very high | 97.9 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -25.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E74 M75 V387 | E74-A78 WeakPolarHBondContact O-CB 3.5Å; E74-A78 PolarHBondContact O-N 3.06Å; M75-A78 PolarHBondContact O-N 3.49Å; A78-V387 HydrophobicContact CB-CB 4.1Å; A78-V387 HydrophobicContact CB-CG1 3.76Å |
| 79 | G | 97.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 135 | 14.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R54 M75 V76 K77 N81 | R54-G79 PolarHBondContact NH1-O 3.11Å; M75-G79 PolarHBondContact O-N 3.2Å; V76-G79 PolarHBondContact O-N 2.85Å; K77-G79 VanDerWaalsContact C-N 3.28Å; K77-G79 PolarHBondContact O-N 3.01Å; G79-N81 PolarHBondContact O-OD1 3.47Å |
| 80 | M | 98.8 | Very high | 97 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.1 | 173.3 | 179.5 | 179.1 | 69.7 | 0 | 0 | 111.6 | C60 I62 L72 M75 V76 A83 V119 | C60-M80 HydrophobicContact CB-CG 3.87Å; C60-M80 HydrophobicContact CB-SD 3.64Å; I62-M80 HydrophobicContact CD1-SD 3.85Å; L72-M80 HydrophobicContact CD2-CE 4.18Å; M75-M80 HydrophobicContact CB-CB 4.24Å; M75-M80 HydrophobicContact CB-CE 4.15Å; M75-M80 HydrophobicContact CB-SD 4.27Å; M75-M80 HydrophobicContact CE-SD 4.04Å; M75-M80 WeakPolarHBondContact O-CB 3.45Å; M75-M80 PolarHBondContact O-N 3.29Å; V76-M80 HydrophobicContact CG2-CE 3.48Å; V76-M80 VanDerWaalsContact CG2-CE 3.48Å; M80-A83 HydrophobicContact SD-CB 4.45Å; M80-V119 HydrophobicContact CE-CG1 4.34Å |
| 81 | N | 98.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 32.6 Ų | 32.6 | 10% | 0.102 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | -33.5 | 179 | -57.6 | 87.1 | 0 | 0 | 0 | 113 | R54 I58 G79 V119 A120 Q476 | R54-N81 PolarHBondContact NH1-OD1 3.31Å; R54-N81 PolarHBondContact NH2-ND2 2.87Å; R54-N81 VanDerWaalsContact NH2-ND2 3.12Å; R54-N81 PolarHBondContact NH2-OD1 3.35Å; I58-N81 PolarHBondContact N-OD1 2.83Å; I58-N81 PolarHBondContact O-N 3.09Å; G79-N81 PolarHBondContact O-OD1 3.47Å; N81-V119 VanDerWaalsContact O-CA 3.3Å; N81-V119 WeakPolarHBondContact O-CA 3.25Å; N81-A120 PolarHBondContact O-N 3.32Å; N81-Q476 HydrophobicContact CB-CB 4.17Å; N81-Q476 HydrophobicContact CB-CG 4.25Å; N81-Q476 PolarHBondContact ND2-OE1 2.79Å |
| 82 | I | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 124.2 | -174.5 | -54.7 | -178.9 | 0 | 0 | 0 | 108 | I58 I59 C60 A120 A122 I251 Q476 L477 | I58-I82 PolarHBondContact O-N 3.14Å; I59-I82 CarbonylContact C-O 3.47Å; I59-I82 WeakPolarHBondContact CA-O 3.49Å; I59-I82 HydrophobicContact CB-CB 4.31Å; I59-I82 HydrophobicContact CD1-CD1 4.48Å; I59-I82 HydrophobicContact CG1-CB 3.79Å; I59-I82 HydrophobicContact CG1-CD1 3.89Å; I59-I82 HydrophobicContact CG1-CG1 4.22Å; I59-I82 HydrophobicContact CG1-CG2 4.21Å; I59-I82 HydrophobicContact CG2-CB 4.3Å; I59-I82 HydrophobicContact CG2-CG2 4.19Å; C60-I82 PolarHBondContact N-O 3.27Å; I82-A120 CarbonylContact C-O 3.59Å; I82-A120 WeakPolarHBondContact CA-O 3.3Å; I82-A120 HydrophobicContact CB-CB 4.41Å; I82-A120 HydrophobicContact CG1-CB 3.99Å; I82-A120 HydrophobicContact CG2-CB 4.2Å; I82-A122 HydrophobicContact CG2-CB 3.84Å; I82-I251 HydrophobicContact CD1-CD1 3.95Å; I82-I251 HydrophobicContact CG2-CD1 4.16Å; I82-Q476 HydrophobicContact CD1-CB 4.03Å; I82-Q476 HydrophobicContact CG1-CB 3.8Å; I82-L477 HydrophobicContact CD1-CD2 3.94Å; I82-L477 HydrophobicContact CD1-CG 4.2Å |
| 83 | A | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 114 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I62 M80 I102 V119 A120 A122 | I62-A83 HydrophobicContact CD1-CB 4.25Å; I62-A83 HydrophobicContact CG1-CB 3.79Å; M80-A83 HydrophobicContact SD-CB 4.45Å; A83-I102 HydrophobicContact CB-CD1 3.62Å; A83-I102 HydrophobicContact CB-CG1 4.17Å; A83-I102 HydrophobicContact CB-CG2 4.24Å; A83-V119 HydrophobicContact CB-CG1 4.34Å; A83-A120 PolarHBondContact N-O 2.98Å; A83-A122 PolarHBondContact O-N 2.97Å |
| 84 | R | 98.9 | Very high | 96.8 | Very high | 17 Ų | 17 | 40 Ų | 40 | 6% | 0.064 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.7 | 176.8 | 170.1 | -179.2 | 174.5 | -98.5 | -2 | 110.3 | I59 C60 T61 I62 A122 D124 F253 M372 | I59-R84 HydrophobicContact CG2-CB 3.82Å; C60-R84 PolarHBondContact O-N 3.37Å; T61-R84 WeakPolarHBondContact CA-O 3.39Å; T61-R84 HydrophobicContact CG2-CG 4.46Å; T61-R84 VanDerWaalsContact CG2-NH1 3.26Å; T61-R84 WeakPolarHBondContact OG1-CD 3.25Å; T61-R84 PolarHBondContact OG1-NH1 2.92Å; I62-R84 PolarHBondContact N-O 3.13Å; R84-A122 WeakPolarHBondContact CA-O 3.33Å; R84-D124 HydrophobicContact CG-CB 4.2Å; R84-D124 IonicContact CZ-OD2 3.68Å; R84-D124 IonicContact NE-OD2 3.66Å; R84-D124 PolarHBondContact NE-OD2 3.28Å; R84-D124 IonicContact NH2-OD2 3.74Å; R84-D124 PolarHBondContact NH2-OD2 2.93Å; R84-F253 HydrophobicContact CB-CE2 4.1Å; R84-F253 HydrophobicContact CG-CD2 4.12Å; R84-F253 HydrophobicContact CG-CE2 4.01Å; R84-M372 WeakPolarHBondContact CD-SD 3.39Å |
| 85 | L | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 116.7 | 173 | -53.2 | 179.9 | 0 | 0 | 0 | 108.4 | I62 F87 T98 I99 I102 I121 A122 D124 | I62-L85 HydrophobicContact CB-CD2 4.29Å; L85-F87 HydrophobicContact CB-CD2 4.23Å; L85-F87 HydrophobicContact CB-CE2 3.81Å; L85-F87 HydrophobicContact CD1-CE2 4.44Å; L85-T98 HydrophobicContact CD2-CG2 3.65Å; L85-I99 HydrophobicContact CD1-CD1 3.82Å; L85-I99 HydrophobicContact CD1-CG1 3.47Å; L85-I99 VanDerWaalsContact CD1-CG1 3.47Å; L85-I102 HydrophobicContact CD2-CD1 4.07Å; L85-I121 HydrophobicContact CD1-CG2 3.85Å; L85-I121 HydrophobicContact CG-CG2 4.28Å; L85-A122 PolarHBondContact N-O 3.34Å; L85-D124 WeakPolarHBondContact O-CB 3.25Å; L85-D124 PolarHBondContact O-N 3.06Å |
| 86 | N | 97.5 | Very high | 96.8 | Very high | 36 Ų | 36 | 38.3 Ų | 38.3 | 19% | 0.193 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 106.6 | -178.6 | -176.6 | 2 | 0 | 0 | 0 | 110.6 | T61 S88 H89 | T61-N86 HydrophobicContact CG2-CB 4.3Å; N86-S88 VanDerWaalsContact C-N 3.27Å; N86-S88 PolarHBondContact O-N 3.21Å; N86-S88 VanDerWaalsContact OD1-CB 3.32Å; N86-S88 WeakPolarHBondContact OD1-CB 3.29Å; N86-S88 PolarHBondContact OD1-N 2.88Å; N86-S88 VanDerWaalsContact OD1-N 3.11Å; N86-S88 PolarHBondContact OD1-OG 3.29Å; N86-H89 PolarHBondContact O-N 3.01Å |
| 87 | F | 96.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 7% | 0.066 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2.9 | -178 | -80.5 | -121.2 | 0 | 0 | 0 | 113.4 | L85 H89 H95 L123 D124 D240 F243 | L85-F87 HydrophobicContact CB-CD2 4.23Å; L85-F87 HydrophobicContact CB-CE2 3.81Å; L85-F87 HydrophobicContact CD1-CE2 4.44Å; F87-H89 PolarHBondContact O-N 2.81Å; F87-H89 VanDerWaalsContact O-N 3.13Å; F87-H95 AromaticContact CD2-CD2 3.96Å; F87-H95 AromaticContact CD2-NE2 3.92Å; F87-H95 AromaticContact CE1-CD2 3.9Å; F87-H95 HydrophobicContact CE2-CB 4.22Å; F87-H95 AromaticContact CE2-CD2 3.76Å; F87-H95 AromaticContact CE2-CG 3.8Å; F87-H95 HydrophobicContact CZ-CB 3.92Å; F87-H95 AromaticContact CZ-CD2 3.75Å; F87-H95 AromaticContact CZ-CG 3.85Å; F87-L123 HydrophobicContact CD1-CD1 4.43Å; F87-L123 HydrophobicContact CD2-CD1 4.26Å; F87-L123 HydrophobicContact CD2-CD2 4.38Å; F87-L123 HydrophobicContact CD2-CG 3.74Å; F87-L123 HydrophobicContact CE1-CD1 3.91Å; F87-L123 HydrophobicContact CE1-CG 4.42Å; F87-L123 HydrophobicContact CE2-CB 4.38Å; F87-L123 HydrophobicContact CE2-CD1 3.75Å; F87-L123 HydrophobicContact CE2-CG 3.58Å; F87-L123 HydrophobicContact CG-CG 4.27Å; F87-L123 HydrophobicContact CZ-CD1 3.55Å; F87-L123 HydrophobicContact CZ-CG 3.93Å; F87-D124 WeakPolarHBondContact CB-O 3.36Å; F87-D124 PolarHBondContact N-O 2.87Å; F87-D240 HydrophobicContact CD1-CB 3.66Å; F87-D240 VanDerWaalsContact CD1-CG 3.48Å; F87-D240 HydrophobicContact CE1-CB 4.07Å; F87-F243 AromaticContact CE1-CD1 3.78Å; F87-F243 HydrophobicContact CE1-CD1 3.78Å; F87-F243 HydrophobicContact CE1-CE1 4.15Å; F87-F243 AromaticContact CZ-CD1 3.66Å; F87-F243 HydrophobicContact CZ-CD1 3.66Å; F87-F243 AromaticContact CZ-CE1 3.7Å; F87-F243 HydrophobicContact CZ-CE1 3.7Å |
| 88 | S | 89.6 | Confident | 96.9 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 15% | 0.147 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.3 | 163.5 | -54.6 | 0 | 0 | 0 | 0 | 112.2 | N86 E129 | N86-S88 VanDerWaalsContact C-N 3.27Å; N86-S88 PolarHBondContact O-N 3.21Å; N86-S88 VanDerWaalsContact OD1-CB 3.32Å; N86-S88 WeakPolarHBondContact OD1-CB 3.29Å; N86-S88 PolarHBondContact OD1-N 2.88Å; N86-S88 VanDerWaalsContact OD1-N 3.11Å; N86-S88 PolarHBondContact OD1-OG 3.29Å; S88-E129 PolarHBondContact OG-OE1 3.39Å |
| 89 | H | 88.2 | Confident | 97 | Very high | 121 Ų | 121 | 36 Ų | 36 | 56% | 0.56 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -138.3 | 159.8 | 176.9 | -53.4 | -67.8 | 0 | 0 | 0 | 112 | N86 F87 H95 | N86-H89 PolarHBondContact O-N 3.01Å; F87-H89 PolarHBondContact O-N 2.81Å; F87-H89 VanDerWaalsContact O-N 3.13Å; H89-H95 PolarHBondContact O-CE1 3.17Å; H89-H95 PolarHBondContact O-NE2 3.39Å |
| 90 | G | 89.9 | Confident | 97.1 | Very high | 52 Ų | 52 | 42 Ų | 42 | 54% | 0.536 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 78.4 | 156.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 91 | S | 96.3 | Very high | 97.1 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | trans | -92.2 | 170.8 | 174.8 | 74.2 | 0 | 0 | 0 | 0 | 111.4 | E93 Y94 H95 | S91-E93 WeakPolarHBondContact CB-OE2 3.36Å; S91-E93 PolarHBondContact O-N 3.2Å; S91-E93 PolarHBondContact OG-N 3.1Å; S91-E93 PolarHBondContact OG-OE2 3.37Å; S91-Y94 WeakPolarHBondContact O-CB 3.47Å; S91-Y94 PolarHBondContact O-N 3.38Å; S91-Y94 PolarHBondContact OG-N 3.46Å; S91-H95 PolarHBondContact O-CD2 3.2Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.28Å | ||
| 92 | H | 98.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 42.1 Ų | 42.1 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -35.1 | 173.5 | -75.5 | -170.7 | 0 | 0 | 0 | 112.1 | H95 S96 D240 F243 | H92-H95 PolarHBondContact O-N 3.11Å; H92-S96 VanDerWaalsContact O-CB 3.25Å; H92-S96 WeakPolarHBondContact O-CB 3.13Å; H92-S96 PolarHBondContact O-N 2.7Å; H92-D240 IonicContact CD2-OD1 2.77Å; H92-D240 IonicContact CE1-OD1 2.77Å; H92-D240 IonicContact NE2-OD1 3Å; H92-D240 PolarHBondContact NE2-OD1 2.88Å; H92-F243 HydrophobicContact CB-CD2 3.7Å; H92-F243 HydrophobicContact CB-CE2 3.63Å; H92-F243 HydrophobicContact CB-CG 4.48Å; H92-F243 HydrophobicContact CB-CZ 4.4Å; H92-F243 AromaticContact CG-CD2 3.58Å; H92-F243 AromaticContact CG-CG 3.97Å; H92-F243 AromaticContact ND1-CD2 3.56Å; H92-F243 AromaticContact ND1-CG 3.89Å; H92-F243 WeakPolarHBondContact O-CE2 3.15Å; H92-F243 VanDerWaalsContact O-CZ 3.32Å; H92-F243 WeakPolarHBondContact O-CZ 3.32Å |
| 93 | E | 98.3 | Very high | 97 | Very high | 138 Ų | 138 | 47.4 Ų | 47.4 | 65% | 0.645 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.2 | -45.4 | 176.1 | -58.9 | 73.3 | -157.6 | 0 | 0 | 111.2 | S91 H95 S96 E97 | S91-E93 WeakPolarHBondContact CB-OE2 3.36Å; S91-E93 PolarHBondContact O-N 3.2Å; S91-E93 PolarHBondContact OG-N 3.1Å; S91-E93 PolarHBondContact OG-OE2 3.37Å; E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 PolarHBondContact O-N 3.01Å; E93-S96 PolarHBondContact O-N 2.86Å; E93-E97 PolarHBondContact O-N 3.21Å |
| 94 | Y | 98.1 | Very high | 97 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 176.9 | 177.8 | -88.1 | 0 | 0 | 0 | 111.7 | R67 S91 T98 | R67-Y94 WeakPolarHBondContact CD-OH 3.23Å; R67-Y94 PolarHBondContact NH2-O 2.87Å; S91-Y94 WeakPolarHBondContact O-CB 3.47Å; S91-Y94 PolarHBondContact O-N 3.38Å; S91-Y94 PolarHBondContact OG-N 3.46Å; Y94-T98 WeakPolarHBondContact O-CB 3.4Å; Y94-T98 PolarHBondContact O-N 2.62Å; Y94-T98 PolarHBondContact O-OG1 2.94Å |
| 95 | H | 98.6 | Very high | 97 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.028 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.7 | -35.1 | 178.6 | -70.6 | -51 | 0 | 0 | 0 | 112.2 | F87 H89 S91 H92 E93 T98 I99 F243 | F87-H95 AromaticContact CD2-CD2 3.96Å; F87-H95 AromaticContact CD2-NE2 3.92Å; F87-H95 AromaticContact CE1-CD2 3.9Å; F87-H95 HydrophobicContact CE2-CB 4.22Å; F87-H95 AromaticContact CE2-CD2 3.76Å; F87-H95 AromaticContact CE2-CG 3.8Å; F87-H95 HydrophobicContact CZ-CB 3.92Å; F87-H95 AromaticContact CZ-CD2 3.75Å; F87-H95 AromaticContact CZ-CG 3.85Å; H89-H95 PolarHBondContact O-CE1 3.17Å; H89-H95 PolarHBondContact O-NE2 3.39Å; S91-H95 PolarHBondContact O-CD2 3.2Å; S91-H95 VanDerWaalsContact O-CD2 3.26Å; S91-H95 PolarHBondContact O-N 3.28Å; H92-H95 PolarHBondContact O-N 3.11Å; E93-H95 VanDerWaalsContact C-N 3.34Å; E93-H95 PolarHBondContact O-N 3.01Å; H95-T98 PolarHBondContact O-N 3.13Å; H95-I99 VanDerWaalsContact O-CG1 3.26Å; H95-I99 WeakPolarHBondContact O-CG1 3.29Å; H95-I99 PolarHBondContact O-N 2.97Å; H95-F243 HydrophobicContact CB-CE1 4.12Å; H95-F243 HydrophobicContact CB-CZ 4.17Å |
| 96 | S | 98.7 | Very high | 97 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 175.9 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | H92 E93 T98 I99 K100 H247 | H92-S96 VanDerWaalsContact O-CB 3.25Å; H92-S96 WeakPolarHBondContact O-CB 3.13Å; H92-S96 PolarHBondContact O-N 2.7Å; E93-S96 PolarHBondContact O-N 2.86Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 2.77Å; S96-I99 PolarHBondContact O-N 3.33Å; S96-K100 PolarHBondContact O-N 3.04Å; S96-H247 PolarHBondContact OG-NE2 2.77Å |
| 97 | E | 98.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 55 Ų | 55 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 173.6 | -173.4 | -171.5 | -173.1 | 0 | 0 | 111.2 | R67 E93 K100 N101 | R67-E97 IonicContact CZ-OE2 3.38Å; R67-E97 IonicContact NH1-OE2 3.22Å; R67-E97 PolarHBondContact NH1-OE2 3.21Å; R67-E97 VanDerWaalsContact NH2-CD 3.34Å; R67-E97 IonicContact NH2-OE2 2.71Å; R67-E97 PolarHBondContact NH2-OE2 2.7Å; E93-E97 PolarHBondContact O-N 3.21Å; E97-K100 WeakPolarHBondContact O-CB 3.42Å; E97-K100 PolarHBondContact O-N 3.09Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-OD1 3.45Å |
| 98 | T | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | I62 R67 L85 Y94 H95 S96 K100 N101 I102 | I62-T98 HydrophobicContact CB-CG2 4.14Å; I62-T98 HydrophobicContact CG2-CG2 3.54Å; R67-T98 HydrophobicContact CB-CG2 4.42Å; R67-T98 PolarHBondContact NE-OG1 3.3Å; R67-T98 PolarHBondContact NH2-OG1 3.43Å; L85-T98 HydrophobicContact CD2-CG2 3.65Å; Y94-T98 WeakPolarHBondContact O-CB 3.4Å; Y94-T98 PolarHBondContact O-N 2.62Å; Y94-T98 PolarHBondContact O-OG1 2.94Å; H95-T98 PolarHBondContact O-N 3.13Å; S96-T98 VanDerWaalsContact C-N 3.3Å; S96-T98 PolarHBondContact O-N 2.77Å; T98-K100 VanDerWaalsContact C-N 3.33Å; T98-K100 PolarHBondContact O-N 3.43Å; T98-N101 PolarHBondContact O-N 3.2Å; T98-I102 HydrophobicContact CG2-CD1 4.05Å; T98-I102 WeakPolarHBondContact O-CD1 3.18Å; T98-I102 VanDerWaalsContact O-CG1 3.28Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.38Å |
| 99 | I | 98.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 173.8 | -71.1 | 168.3 | 0 | 0 | 0 | 110.8 | L85 H95 S96 I102 R103 I121 F243 H247 V249 | L85-I99 HydrophobicContact CD1-CD1 3.82Å; L85-I99 HydrophobicContact CD1-CG1 3.47Å; L85-I99 VanDerWaalsContact CD1-CG1 3.47Å; H95-I99 VanDerWaalsContact O-CG1 3.26Å; H95-I99 WeakPolarHBondContact O-CG1 3.29Å; H95-I99 PolarHBondContact O-N 2.97Å; S96-I99 PolarHBondContact O-N 3.33Å; I99-I102 PolarHBondContact O-N 3.07Å; I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 2.96Å; I99-I121 HydrophobicContact CG1-CD1 4.48Å; I99-I121 HydrophobicContact CG1-CG2 4.29Å; I99-I121 HydrophobicContact CG2-CD1 3.95Å; I99-F243 HydrophobicContact CD1-CE1 3.98Å; I99-F243 HydrophobicContact CD1-CZ 4.37Å; I99-H247 HydrophobicContact CD1-CB 3.79Å; I99-V249 HydrophobicContact CD1-CG1 4.32Å |
| 100 | K | 98.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 54.7 Ų | 54.7 | 59% | 0.587 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -59.2 | -48.6 | 176 | -177.6 | -172.2 | 171.6 | -169.7 | 0 | 110.8 | S96 E97 T98 I102 R103 E104 | S96-K100 PolarHBondContact O-N 3.04Å; E97-K100 WeakPolarHBondContact O-CB 3.42Å; E97-K100 PolarHBondContact O-N 3.09Å; T98-K100 VanDerWaalsContact C-N 3.33Å; T98-K100 PolarHBondContact O-N 3.43Å; K100-I102 VanDerWaalsContact C-N 3.35Å; K100-I102 PolarHBondContact O-N 2.99Å; K100-R103 PolarHBondContact O-N 3.34Å; K100-E104 WeakPolarHBondContact O-CB 3.48Å; K100-E104 PolarHBondContact O-N 2.98Å |
| 101 | N | 98.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 58.2 Ų | 58.2 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.9 | -39.3 | -179.9 | -67.5 | -4.5 | 0 | 0 | 0 | 112.4 | R67 V69 L72 E97 T98 E104 A105 | R67-N101 WeakPolarHBondContact O-CB 3.38Å; R67-N101 PolarHBondContact O-ND2 3.19Å; V69-N101 HydrophobicContact CG2-CB 3.9Å; L72-N101 HydrophobicContact CD1-CB 3.82Å; E97-N101 VanDerWaalsContact O-CG 3.27Å; E97-N101 PolarHBondContact O-N 3.48Å; E97-N101 PolarHBondContact O-OD1 3.45Å; T98-N101 PolarHBondContact O-N 3.2Å; N101-E104 PolarHBondContact O-N 3.41Å; N101-A105 VanDerWaalsContact O-CB 3.26Å; N101-A105 WeakPolarHBondContact O-CB 3.09Å; N101-A105 PolarHBondContact O-N 3.04Å |
| 102 | I | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.5 | -67.9 | 158.1 | 0 | 0 | 0 | 110.4 | I62 L72 A83 L85 T98 I99 K100 A105 V106 V119 I121 | I62-I102 HydrophobicContact CG1-CD1 4.25Å; L72-I102 HydrophobicContact CD1-CG1 3.99Å; L72-I102 HydrophobicContact CD2-CG1 4.06Å; A83-I102 HydrophobicContact CB-CD1 3.62Å; A83-I102 HydrophobicContact CB-CG1 4.17Å; A83-I102 HydrophobicContact CB-CG2 4.24Å; L85-I102 HydrophobicContact CD2-CD1 4.07Å; T98-I102 HydrophobicContact CG2-CD1 4.05Å; T98-I102 WeakPolarHBondContact O-CD1 3.18Å; T98-I102 VanDerWaalsContact O-CG1 3.28Å; T98-I102 WeakPolarHBondContact O-CG1 3.46Å; T98-I102 PolarHBondContact O-N 3.38Å; I99-I102 PolarHBondContact O-N 3.07Å; K100-I102 VanDerWaalsContact C-N 3.35Å; K100-I102 PolarHBondContact O-N 2.99Å; I102-A105 PolarHBondContact O-N 3.42Å; I102-V106 VanDerWaalsContact O-CG2 3.23Å; I102-V106 WeakPolarHBondContact O-CG2 3.43Å; I102-V106 PolarHBondContact O-N 3.46Å; I102-V119 HydrophobicContact CG2-CG1 4.42Å; I102-I121 HydrophobicContact CB-CD1 4.32Å; I102-I121 HydrophobicContact CG2-CD1 4Å; I102-I121 HydrophobicContact CG2-CG1 4.02Å |
| 103 | R | 98.6 | Very high | 97.4 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 42% | 0.419 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 178.7 | -72.1 | 176.5 | 171.5 | 171.2 | -1 | 111.7 | I99 K100 A105 V106 E107 I121 H247 G248 | I99-R103 WeakPolarHBondContact O-CG 3.36Å; I99-R103 PolarHBondContact O-N 2.96Å; K100-R103 PolarHBondContact O-N 3.34Å; R103-A105 PolarHBondContact O-N 3.49Å; R103-V106 PolarHBondContact O-N 3.26Å; R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.24Å; R103-I121 HydrophobicContact CG-CD1 4.38Å; R103-H247 PolarHBondContact NH1-O 2.97Å; R103-H247 PolarHBondContact NH2-O 2.98Å; R103-G248 PolarHBondContact NH2-O 3.46Å |
| 104 | E | 98.6 | Very high | 97.2 | Very high | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 177.2 | -173.9 | 177.1 | 152.7 | 0 | 0 | 111.3 | V69 K100 N101 V106 E107 T108 | V69-E104 HydrophobicContact CG1-CG 4.25Å; V69-E104 HydrophobicContact CG2-CB 4.24Å; V69-E104 HydrophobicContact CG2-CG 4.27Å; K100-E104 WeakPolarHBondContact O-CB 3.48Å; K100-E104 PolarHBondContact O-N 2.98Å; N101-E104 PolarHBondContact O-N 3.41Å; E104-V106 VanDerWaalsContact C-N 3.35Å; E104-V106 PolarHBondContact O-N 2.92Å; E104-E107 PolarHBondContact O-N 2.92Å; E104-T108 HydrophobicContact CG-CG2 4.33Å; E104-T108 WeakPolarHBondContact O-CB 3.45Å; E104-T108 VanDerWaalsContact O-CG2 3.3Å; E104-T108 WeakPolarHBondContact O-CG2 3.39Å; E104-T108 PolarHBondContact O-N 3.36Å; E104-T108 PolarHBondContact O-OG1 2.85Å |
| 105 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V69 L72 Q73 N101 I102 R103 I109 | V69-A105 HydrophobicContact CG1-CB 4.04Å; L72-A105 HydrophobicContact CB-CB 3.53Å; L72-A105 HydrophobicContact CD1-CB 4.34Å; Q73-A105 HydrophobicContact CG-CB 3.89Å; Q73-A105 WeakPolarHBondContact CG-O 3.33Å; N101-A105 VanDerWaalsContact O-CB 3.26Å; N101-A105 WeakPolarHBondContact O-CB 3.09Å; N101-A105 PolarHBondContact O-N 3.04Å; I102-A105 PolarHBondContact O-N 3.42Å; R103-A105 PolarHBondContact O-N 3.49Å; A105-I109 WeakPolarHBondContact O-CB 3.41Å; A105-I109 PolarHBondContact O-N 2.9Å; A105-I109 VanDerWaalsContact O-N 3.09Å |
| 106 | V | 97.6 | Very high | 97 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 6% | 0.055 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.1 | -42.3 | -178.9 | 172.6 | 0 | 0 | 0 | 0 | 112 | I102 R103 E104 T108 I109 Y116 R117 V119 | I102-V106 VanDerWaalsContact O-CG2 3.23Å; I102-V106 WeakPolarHBondContact O-CG2 3.43Å; I102-V106 PolarHBondContact O-N 3.46Å; R103-V106 PolarHBondContact O-N 3.26Å; E104-V106 VanDerWaalsContact C-N 3.35Å; E104-V106 PolarHBondContact O-N 2.92Å; V106-T108 VanDerWaalsContact C-N 3.35Å; V106-I109 WeakPolarHBondContact O-CG2 3.06Å; V106-Y116 HydrophobicContact CG1-CE2 3.93Å; V106-R117 WeakPolarHBondContact CG1-O 3.47Å; V106-V119 HydrophobicContact CG2-CB 3.69Å; V106-V119 HydrophobicContact CG2-CG2 3.65Å |
| 107 | E | 96.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -75.6 | -23.8 | -178.5 | -65.5 | -58.5 | 129.8 | 0 | 0 | 112.8 | R103 E104 Y116 | R103-E107 WeakPolarHBondContact O-CG 3.22Å; R103-E107 PolarHBondContact O-N 3.24Å; E104-E107 PolarHBondContact O-N 2.92Å; E107-Y116 PolarHBondContact OE1-OH 3.44Å |
| 108 | T | 97.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 54.9 Ų | 54.9 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -101.4 | -5.2 | -178.2 | 60.3 | 0 | 0 | 0 | 0 | 114.2 | Q73 E104 V106 T110 | Q73-T108 PolarHBondContact NE2-OG1 3.43Å; E104-T108 HydrophobicContact CG-CG2 4.33Å; E104-T108 WeakPolarHBondContact O-CB 3.45Å; E104-T108 VanDerWaalsContact O-CG2 3.3Å; E104-T108 WeakPolarHBondContact O-CG2 3.39Å; E104-T108 PolarHBondContact O-N 3.36Å; E104-T108 PolarHBondContact O-OG1 2.85Å; V106-T108 VanDerWaalsContact C-N 3.35Å; T108-T110 VanDerWaalsContact C-N 3.29Å; T108-T110 PolarHBondContact O-N 2.9Å |
| 109 | I | 95.3 | Very high | 96.7 | Very high | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -64.6 | -32.1 | -176.9 | -166.5 | 169 | 0 | 0 | 0 | 113.3 | Q73 V76 K77 A105 V106 | Q73-I109 HydrophobicContact CB-CG1 4.43Å; Q73-I109 HydrophobicContact CG-CB 4.37Å; Q73-I109 HydrophobicContact CG-CG1 4.44Å; V76-I109 HydrophobicContact CB-CD1 3.77Å; V76-I109 HydrophobicContact CG1-CD1 3.56Å; K77-I109 HydrophobicContact CG-CD1 3.86Å; K77-I109 HydrophobicContact CG-CG1 4.4Å; A105-I109 WeakPolarHBondContact O-CB 3.41Å; A105-I109 PolarHBondContact O-N 2.9Å; A105-I109 VanDerWaalsContact O-N 3.09Å; V106-I109 WeakPolarHBondContact O-CG2 3.06Å |
| 110 | T | 94.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 54.9 Ų | 54.9 | 26% | 0.264 | 28% | 0.275 | S | S | . | . | trans | -162.9 | 147.4 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 109.9 | T108 D112 | T108-T110 VanDerWaalsContact C-N 3.29Å; T108-T110 PolarHBondContact O-N 2.9Å; T110-D112 PolarHBondContact OG1-N 3.33Å | ||
| 111 | S | 93.3 | Very high | 96.7 | Very high | 126 Ų | 126 | 48.7 Ų | 48.7 | 88% | 0.881 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -92 | -10.1 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 113.1 | P113 | S111-P113 WeakPolarHBondContact O-CD 3.4Š|
| 112 | D | 95.4 | Very high | 96.7 | Very high | 60 Ų | 60 | 47.6 Ų | 47.6 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | trans | -83.4 | 116.2 | -179.5 | -173 | -24 | 0 | 0 | 0 | 110.3 | T110 L114 Y115 Y116 | T110-D112 PolarHBondContact OG1-N 3.33Å; D112-L114 PolarHBondContact O-N 3.23Å; D112-L114 WeakPolarHBondContact OD1-CB 3.49Å; D112-L114 WeakPolarHBondContact OD1-CG 3.29Å; D112-L114 PolarHBondContact OD1-N 3.06Å; D112-Y115 HydrophobicContact CB-CD2 3.99Å; D112-Y115 CarbonylContact O-C 3.57Å; D112-Y115 WeakPolarHBondContact O-CA 3.48Å; D112-Y115 PolarHBondContact O-N 3.25Å; D112-Y115 VanDerWaalsContact OD2-CD2 3.32Å; D112-Y115 WeakPolarHBondContact OD2-CD2 3.49Å; D112-Y116 PolarHBondContact O-N 2.99Å; D112-Y116 VanDerWaalsContact O-N 3.09Å | ||
| 113 | P | 93.2 | Very high | 96.7 | Very high | 67 Ų | 67 | 47.4 Ų | 47.4 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -24.2 | -178.6 | 26.6 | -35.4 | 0 | 0 | 0 | 113.3 | S111 Y115 F504 | S111-P113 WeakPolarHBondContact O-CD 3.4Å; P113-Y115 PolarHBondContact O-N 3.45Å; P113-F504 HydrophobicContact CB-CE2 4.29Å; P113-F504 HydrophobicContact CB-CZ 4.44Å |
| 114 | L | 95.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 42.1 Ų | 42.1 | 19% | 0.194 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -25.4 | 175.3 | -55.9 | -178.9 | 0 | 0 | 0 | 111.8 | D112 F504 E507 I508 A511 R512 | D112-L114 PolarHBondContact O-N 3.23Å; D112-L114 WeakPolarHBondContact OD1-CB 3.49Å; D112-L114 WeakPolarHBondContact OD1-CG 3.29Å; D112-L114 PolarHBondContact OD1-N 3.06Å; L114-F504 HydrophobicContact CD2-CD2 4.07Å; L114-F504 HydrophobicContact CD2-CE2 3.83Å; L114-E507 HydrophobicContact CD1-CB 4.45Å; L114-E507 HydrophobicContact CD2-CB 3.82Å; L114-I508 HydrophobicContact CD2-CG1 3.77Å; L114-A511 HydrophobicContact CB-CB 4.21Å; L114-A511 HydrophobicContact CD1-CB 4.18Å; L114-R512 PolarHBondContact O-NE 3.01Å; L114-R512 PolarHBondContact O-NH2 3.44Å |
| 115 | Y | 95.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 38.2 Ų | 38.2 | 40% | 0.396 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -4.9 | -180 | -66.2 | -88.6 | 0 | 0 | 0 | 114.6 | D112 P113 A511 R512 | D112-Y115 HydrophobicContact CB-CD2 3.99Å; D112-Y115 CarbonylContact O-C 3.57Å; D112-Y115 WeakPolarHBondContact O-CA 3.48Å; D112-Y115 PolarHBondContact O-N 3.25Å; D112-Y115 VanDerWaalsContact OD2-CD2 3.32Å; D112-Y115 WeakPolarHBondContact OD2-CD2 3.49Å; P113-Y115 PolarHBondContact O-N 3.45Å; Y115-A511 HydrophobicContact CE2-CB 4.42Å; Y115-A511 PolarHBondContact OH-O 2.82Å; Y115-R512 VanDerWaalsContact CA-CZ 3.48Å; Y115-R512 PolarHBondContact O-NH2 2.74Å |
| 116 | Y | 95.6 | Very high | 96.3 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 14% | 0.137 | 22% | 0.218 | C | C | . | . | trans | -56.1 | 143.8 | 172.5 | -175.9 | -98.5 | 0 | 0 | 0 | 111.4 | V106 E107 D112 A118 L485 R512 | V106-Y116 HydrophobicContact CG1-CE2 3.93Å; E107-Y116 PolarHBondContact OE1-OH 3.44Å; D112-Y116 PolarHBondContact O-N 2.99Å; D112-Y116 VanDerWaalsContact O-N 3.09Å; Y116-A118 HydrophobicContact CE1-CB 4.18Å; Y116-L485 HydrophobicContact CD1-CB 4.36Å; Y116-L485 HydrophobicContact CE1-CB 4.33Å; Y116-L485 HydrophobicContact CE1-CD2 4.04Å; Y116-R512 PolarHBondContact O-NH2 3.09Å | ||
| 117 | R | 95 | Very high | 95.8 | Very high | 82 Ų | 82 | 41.2 Ų | 41.2 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | trans | -132 | 110 | 178.1 | -67.3 | -177.6 | -179.2 | -177.1 | 2.8 | 108.8 | V76 K77 V106 V119 | V76-R117 HydrophobicContact CG1-CB 4Å; V76-R117 PolarHBondContact O-NH1 3.04Å; K77-R117 PolarHBondContact O-NH1 3.27Å; V106-R117 WeakPolarHBondContact CG1-O 3.47Å; R117-V119 PolarHBondContact O-N 2.78Å | ||
| 118 | A | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | -65.7 | 127 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y116 A472 R473 Q476 P483 | Y116-A118 HydrophobicContact CE1-CB 4.18Å; A118-A472 HydrophobicContact CB-CB 3.98Å; A118-R473 HydrophobicContact CB-CG 4.16Å; A118-Q476 PolarHBondContact O-NE2 3.4Å; A118-P483 HydrophobicContact CB-CG 4.25Å | ||
| 119 | V | 98.7 | Very high | 94.7 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | trans | -116.4 | 125.2 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | V76 M80 N81 A83 I102 V106 R117 R473 | V76-V119 HydrophobicContact CG1-CG2 4.09Å; V76-V119 HydrophobicContact CG2-CG2 3.7Å; M80-V119 HydrophobicContact CE-CG1 4.34Å; N81-V119 VanDerWaalsContact O-CA 3.3Å; N81-V119 WeakPolarHBondContact O-CA 3.25Å; A83-V119 HydrophobicContact CB-CG1 4.34Å; I102-V119 HydrophobicContact CG2-CG1 4.42Å; V106-V119 HydrophobicContact CG2-CB 3.69Å; V106-V119 HydrophobicContact CG2-CG2 3.65Å; R117-V119 PolarHBondContact O-N 2.78Å; V119-R473 WeakPolarHBondContact O-CD 3.43Å; V119-R473 WeakPolarHBondContact O-CG 3.46Å | ||
| 120 | A | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 151.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N81 I82 A83 D250 I251 R473 | N81-A120 PolarHBondContact O-N 3.32Å; I82-A120 CarbonylContact C-O 3.59Å; I82-A120 WeakPolarHBondContact CA-O 3.3Å; I82-A120 HydrophobicContact CB-CB 4.41Å; I82-A120 HydrophobicContact CG1-CB 3.99Å; I82-A120 HydrophobicContact CG2-CB 4.2Å; A83-A120 PolarHBondContact N-O 2.98Å; A120-D250 WeakPolarHBondContact CA-OD2 3.37Å; A120-D250 HydrophobicContact CB-CB 4.18Å; A120-I251 HydrophobicContact CB-CD1 3.95Å; A120-R473 HydrophobicContact CB-CB 3.99Å; A120-R473 WeakPolarHBondContact CB-O 3.31Å |
| 121 | I | 98.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 123.2 | 171.7 | -58 | 179 | 0 | 0 | 0 | 108.8 | L85 I99 I102 R103 V249 D250 I251 | L85-I121 HydrophobicContact CD1-CG2 3.85Å; L85-I121 HydrophobicContact CG-CG2 4.28Å; I99-I121 HydrophobicContact CG1-CD1 4.48Å; I99-I121 HydrophobicContact CG1-CG2 4.29Å; I99-I121 HydrophobicContact CG2-CD1 3.95Å; I102-I121 HydrophobicContact CB-CD1 4.32Å; I102-I121 HydrophobicContact CG2-CD1 4Å; I102-I121 HydrophobicContact CG2-CG1 4.02Å; R103-I121 HydrophobicContact CG-CD1 4.38Å; I121-V249 HydrophobicContact CG2-CB 4.47Å; I121-V249 HydrophobicContact CG2-CG1 4.05Å; I121-D250 PolarHBondContact N-OD2 3.3Å; I121-D250 PolarHBondContact O-N 3.4Å; I121-I251 PolarHBondContact O-N 2.81Å |
| 122 | A | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | I82 A83 R84 L85 I251 F253 | I82-A122 HydrophobicContact CG2-CB 3.84Å; A83-A122 PolarHBondContact O-N 2.97Å; R84-A122 WeakPolarHBondContact CA-O 3.33Å; L85-A122 PolarHBondContact N-O 3.34Å; A122-I251 CarbonylContact C-O 3.4Å; A122-I251 WeakPolarHBondContact CA-O 3.41Å; A122-I251 HydrophobicContact CB-CB 4Å; A122-I251 HydrophobicContact CB-CG2 4.44Å; A122-F253 HydrophobicContact CB-CD1 4.33Å; A122-F253 HydrophobicContact CB-CD2 4.04Å; A122-F253 HydrophobicContact CB-CE1 3.87Å; A122-F253 HydrophobicContact CB-CE2 3.49Å; A122-F253 VanDerWaalsContact CB-CE2 3.49Å; A122-F253 HydrophobicContact CB-CG 4.44Å; A122-F253 HydrophobicContact CB-CZ 3.41Å; A122-F253 VanDerWaalsContact CB-CZ 3.41Å |
| 123 | L | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 119.3 | 169.5 | -177.8 | 154.4 | 0 | 0 | 0 | 108.7 | F87 T125 D240 L241 V249 I251 V252 F253 | F87-L123 HydrophobicContact CD1-CD1 4.43Å; F87-L123 HydrophobicContact CD2-CD1 4.26Å; F87-L123 HydrophobicContact CD2-CD2 4.38Å; F87-L123 HydrophobicContact CD2-CG 3.74Å; F87-L123 HydrophobicContact CE1-CD1 3.91Å; F87-L123 HydrophobicContact CE1-CG 4.42Å; F87-L123 HydrophobicContact CE2-CB 4.38Å; F87-L123 HydrophobicContact CE2-CD1 3.75Å; F87-L123 HydrophobicContact CE2-CG 3.58Å; F87-L123 HydrophobicContact CG-CG 4.27Å; F87-L123 HydrophobicContact CZ-CD1 3.55Å; F87-L123 HydrophobicContact CZ-CG 3.93Å; L123-T125 HydrophobicContact CD2-CG2 3.75Å; L123-D240 VanDerWaalsContact CD1-O 3.28Å; L123-D240 WeakPolarHBondContact CD1-O 3.32Å; L123-L241 HydrophobicContact CD2-CD2 4.42Å; L123-V249 HydrophobicContact CB-CG2 4.27Å; L123-I251 PolarHBondContact N-O 3.27Å; L123-V252 HydrophobicContact CB-CG2 4.48Å; L123-V252 CarbonylContact O-C 3.6Å; L123-V252 VanDerWaalsContact O-CA 3.29Å; L123-V252 WeakPolarHBondContact O-CA 3.49Å; L123-F253 PolarHBondContact O-N 3.45Å |
| 124 | D | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 113.3 | 172.7 | -168.1 | -34.1 | 0 | 0 | 0 | 109.4 | R84 L85 F87 F253 S255 K282 | R84-D124 HydrophobicContact CG-CB 4.2Å; R84-D124 IonicContact CZ-OD2 3.68Å; R84-D124 IonicContact NE-OD2 3.66Å; R84-D124 PolarHBondContact NE-OD2 3.28Å; R84-D124 IonicContact NH2-OD2 3.74Å; R84-D124 PolarHBondContact NH2-OD2 2.93Å; L85-D124 WeakPolarHBondContact O-CB 3.25Å; L85-D124 PolarHBondContact O-N 3.06Å; F87-D124 WeakPolarHBondContact CB-O 3.36Å; F87-D124 PolarHBondContact N-O 2.87Å; D124-F253 WeakPolarHBondContact CA-O 3.36Å; D124-F253 HydrophobicContact CB-CB 4.06Å; D124-F253 HydrophobicContact CB-CD2 4.11Å; D124-S255 PolarHBondContact OD1-OG 3.49Å; D124-K282 IonicContact OD1-NZ 2.77Å; D124-K282 PolarHBondContact OD1-NZ 3.28Å; D124-K282 IonicContact OD2-NZ 3.59Å; D124-K282 PolarHBondContact OD2-NZ 2.94Å |
| 125 | T | 97.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 4% | 0.037 | 9% | 0.092 | C | C | . | . | trans | -67.4 | 152.2 | -175.5 | 55.1 | 0 | 0 | 0 | 0 | 111.1 | L123 L241 V252 F253 A254 S255 | L123-T125 HydrophobicContact CD2-CG2 3.75Å; T125-L241 HydrophobicContact CG2-CD2 4.05Å; T125-L241 HydrophobicContact CG2-CG 4.5Å; T125-V252 HydrophobicContact CG2-CG1 4.08Å; T125-F253 PolarHBondContact N-O 3.33Å; T125-F253 PolarHBondContact OG1-O 2.87Å; T125-A254 WeakPolarHBondContact OG1-CA 3.26Å; T125-S255 WeakPolarHBondContact O-CB 3.35Å; T125-S255 PolarHBondContact O-OG 3.25Å; T125-S255 PolarHBondContact OG1-N 3.08Å; T125-S255 PolarHBondContact OG1-OG 3.34Å | ||
| 126 | K | 90.6 | Very high | 93.8 | Very high | 67 Ų | 67 | 21.6 Ų | 21.6 | 29% | 0.291 | 10% | 0.097 | S | C | . | . | trans | -65.5 | -46.3 | 169.3 | -178.7 | 179.4 | 171.9 | 179.7 | 0 | 111.1 | D237 | K126-D237 PolarHBondContact N-OD1 3.02Š| ||
| 127 | G | 87.9 | Confident | 93.5 | Very high | 6 Ų | 6 | 21.9 Ų | 21.9 | 6% | 0.062 | 11% | 0.111 | C | C | . | . | trans | 68.9 | -175 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E129 D237 | G127-E129 PolarHBondContact O-N 3.46Å; G127-D237 PolarHBondContact N-OD1 2.61Å | ||
| 128 | P | 85.8 | Confident | 93.2 | Very high | 13 Ų | 13 | 24.1 Ų | 24.1 | 8% | 0.084 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -79.8 | 56.1 | -175.8 | 33.7 | -38.4 | 0 | 0 | 0 | 113.1 | L230 Q231 F256 | P128-L230 HydrophobicContact CB-CB 4.05Å; P128-L230 HydrophobicContact CB-CD1 4.46Å; P128-L230 HydrophobicContact CB-CD2 4.43Å; P128-Q231 WeakPolarHBondContact CB-O 3.27Å; P128-F256 HydrophobicContact CG-CB 3.92Å |
| 129 | E | 83.9 | Confident | 92.7 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | trans | -64.4 | 138.5 | 169.2 | -71.5 | 176.6 | -175.9 | 0 | 0 | 110.4 | S88 G127 R131 F256 | S88-E129 PolarHBondContact OG-OE1 3.39Å; G127-E129 PolarHBondContact O-N 3.46Å; E129-R131 HydrophobicContact CB-CG 4.47Å; E129-R131 IonicContact OE1-NH2 3Å; E129-R131 IonicContact OE2-CZ 3.67Å; E129-R131 IonicContact OE2-NE 3.18Å; E129-R131 PolarHBondContact OE2-NE 2.91Å; E129-R131 IonicContact OE2-NH2 2.82Å; E129-R131 PolarHBondContact OE2-NH2 3.35Å; E129-F256 HydrophobicContact CG-CD2 4.27Å; E129-F256 HydrophobicContact CG-CE2 3.43Å; E129-F256 VanDerWaalsContact CG-CE2 3.43Å; E129-F256 HydrophobicContact CG-CZ 3.99Å | ||
| 130 | I | 90.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 134.8 | 166.6 | -52.6 | 171.5 | 0 | 0 | 0 | 107.2 | V170 D171 Y172 G219 V220 L222 L227 L230 | I130-V170 HydrophobicContact CG2-CB 4.3Å; I130-D171 WeakPolarHBondContact CA-OD1 3.3Å; I130-D171 WeakPolarHBondContact CG2-OD1 3.15Å; I130-Y172 HydrophobicContact CD1-CD1 3.7Å; I130-Y172 HydrophobicContact CD1-CE1 4.3Å; I130-Y172 HydrophobicContact CD1-CG 3.83Å; I130-Y172 HydrophobicContact CG1-CG 4.19Å; I130-G219 CarbonylContact O-C 3.6Å; I130-G219 WeakPolarHBondContact O-CA 3.37Å; I130-V220 HydrophobicContact CB-CB 4.07Å; I130-V220 HydrophobicContact CG2-CB 3.82Å; I130-V220 HydrophobicContact CG2-CG1 4.26Å; I130-V220 HydrophobicContact CG2-CG2 4.41Å; I130-V220 PolarHBondContact O-N 3.17Å; I130-L222 HydrophobicContact CD1-CD1 3.56Å; I130-L222 HydrophobicContact CD1-CG 4.16Å; I130-L227 HydrophobicContact CD1-CD1 4.44Å; I130-L227 HydrophobicContact CD1-CD2 4.36Å; I130-L230 HydrophobicContact CD1-CD1 4.33Å; I130-L230 HydrophobicContact CG1-CD1 4.2Å |
| 131 | R | 91.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 40.1 Ų | 40.1 | 16% | 0.162 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.1 | -179.3 | -65.6 | -164.9 | 174.4 | -140.4 | 7.2 | 113.2 | E129 V170 D171 R217 K218 | E129-R131 HydrophobicContact CB-CG 4.47Å; E129-R131 IonicContact OE1-NH2 3Å; E129-R131 IonicContact OE2-CZ 3.67Å; E129-R131 IonicContact OE2-NE 3.18Å; E129-R131 PolarHBondContact OE2-NE 2.91Å; E129-R131 IonicContact OE2-NH2 2.82Å; E129-R131 PolarHBondContact OE2-NH2 3.35Å; R131-V170 WeakPolarHBondContact O-CA 2.98Å; R131-D171 PolarHBondContact N-OD1 2.96Å; R131-D171 PolarHBondContact O-N 3.3Å; R131-R217 PolarHBondContact NH1-O 3.01Å; R131-R217 VanDerWaalsContact NH1-O 3.07Å; R131-K218 CarbonylContact C-O 3.42Å; R131-K218 VanDerWaalsContact CA-O 3.27Å; R131-K218 WeakPolarHBondContact CA-O 3.46Å |
| 132 | S | 93.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -73.5 | 159.8 | 168.2 | 69.1 | 0 | 0 | 0 | 0 | 112.2 | W169 R217 K218 | S132-W169 CarbonylContact C-O 3.52Å; S132-W169 VanDerWaalsContact CA-O 3.25Å; S132-W169 WeakPolarHBondContact CA-O 3.26Å; S132-R217 VanDerWaalsContact O-CA 3.3Å; S132-R217 WeakPolarHBondContact O-CA 2.94Å; S132-R217 PolarHBondContact OG-N 3.23Å; S132-K218 PolarHBondContact N-O 3.37Å; S132-K218 PolarHBondContact OG-N 3.39Å |
| 133 | G | 92.4 | Very high | 91.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | trans | -74.3 | -175.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | W169 R217 | G133-W169 PolarHBondContact N-O 3.02Å; G133-R217 PolarHBondContact O-N 3.46Å | ||
| 134 | L | 93.9 | Very high | 91.3 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | trans | -68.1 | 141.5 | 166.3 | -57.8 | 177.9 | 0 | 0 | 0 | 110.5 | V139 D161 T163 S216 R217 | L134-V139 HydrophobicContact CD2-CG2 3.79Å; L134-D161 HydrophobicContact CB-CB 3.81Å; L134-D161 WeakPolarHBondContact CB-OD1 3.44Å; L134-D161 HydrophobicContact CD1-CB 4.3Å; L134-D161 HydrophobicContact CG-CB 4.23Å; L134-D161 WeakPolarHBondContact CG-OD1 3.45Å; L134-D161 PolarHBondContact N-OD1 3.25Å; L134-D161 CarbonylContact O-C 3.56Å; L134-D161 VanDerWaalsContact O-C 3.32Å; L134-D161 WeakPolarHBondContact O-CA 3.46Å; L134-T163 WeakPolarHBondContact O-CB 3.48Å; L134-T163 PolarHBondContact O-N 3.03Å; L134-S216 WeakPolarHBondContact CA-OG 3.36Å; L134-R217 HydrophobicContact CD2-CG 4.1Å | ||
| 135 | V | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -78.3 | 122.2 | 171.1 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | G137 K138 E141 V143 T163 S216 | V135-G137 PolarHBondContact O-N 3.09Å; V135-K138 PolarHBondContact O-N 3.01Å; V135-K138 VanDerWaalsContact O-O 3.06Å; V135-E141 HydrophobicContact CB-CB 4.2Å; V135-E141 WeakPolarHBondContact CB-O 3.39Å; V135-E141 HydrophobicContact CG1-CB 4.13Å; V135-E141 WeakPolarHBondContact O-CB 3.5Å; V135-V143 HydrophobicContact CG1-CB 4.05Å; V135-V143 HydrophobicContact CG1-CG1 4.03Å; V135-V143 HydrophobicContact CG2-CG1 4.49Å; V135-T163 CarbonylContact C-O 3.51Å; V135-T163 VanDerWaalsContact CA-O 3.3Å; V135-T163 WeakPolarHBondContact CA-O 3.49Å; V135-T163 HydrophobicContact CG2-CG2 4.15Å; V135-S216 PolarHBondContact N-OG 3.41Å |
| 136 | K | 89.8 | Confident | 91.1 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 50% | 0.504 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 34.5 | -179.2 | -57.3 | 170.8 | -173.5 | 158.8 | 0 | 113.4 | K138 E141 T163 | K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3Å; K136-E141 IonicContact NZ-OE2 2.66Å; K136-T163 PolarHBondContact N-O 2.75Å |
| 137 | G | 89.1 | Confident | 91.5 | Very high | 41 Ų | 41 | 60 Ų | 60 | 42% | 0.423 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | V135 D161 | V135-G137 PolarHBondContact O-N 3.09Å; G137-D161 WeakPolarHBondContact CA-O 3.38Å; G137-D161 PolarHBondContact N-O 3.25Å |
| 138 | K | 88.1 | Confident | 91.9 | Very high | 128 Ų | 128 | 62 Ų | 62 | 56% | 0.557 | 32% | 0.324 | S | S | * | . | B | Isolated β-bridge | trans | -132.7 | 146.7 | -177.6 | -59.3 | 179.8 | -171.4 | 168.9 | 0 | 112.2 | V135 K136 E141 S216 | V135-K138 PolarHBondContact O-N 3.01Å; V135-K138 VanDerWaalsContact O-O 3.06Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3Å; K138-E141 HydrophobicContact CB-CB 4.31Å; K138-E141 HydrophobicContact CB-CG 3.69Å; K138-E141 HydrophobicContact CD-CG 3.93Å; K138-E141 HydrophobicContact CG-CG 4.29Å; K138-E141 IonicContact NZ-OE1 3.34Å; K138-S216 PolarHBondContact O-OG 2.9Å |
| 139 | V | 85.9 | Confident | 92.4 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 54% | 0.539 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -40.7 | -177.6 | 177.3 | 0 | 0 | 0 | 0 | 112.4 | L134 E141 S216 | L134-V139 HydrophobicContact CD2-CG2 3.79Å; V139-E141 VanDerWaalsContact C-N 3.35Å; V139-S216 PolarHBondContact O-OG 3.48Å |
| 140 | E | 88.5 | Confident | 93.1 | Very high | 189 Ų | 189 | 67.7 Ų | 67.7 | 88% | 0.883 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -6.2 | -174 | -56.1 | -165.7 | -168.3 | 0 | 0 | 114.1 | ||
| 141 | E | 91.2 | Very high | 93.4 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | trans | -78.1 | 152.1 | 176.4 | -69.3 | -81.1 | 168.6 | 0 | 0 | 110.8 | V135 K136 K138 V139 | V135-E141 HydrophobicContact CB-CB 4.2Å; V135-E141 WeakPolarHBondContact CB-O 3.39Å; V135-E141 HydrophobicContact CG1-CB 4.13Å; V135-E141 WeakPolarHBondContact O-CB 3.5Å; K136-E141 IonicContact NZ-OE2 2.66Å; K138-E141 HydrophobicContact CB-CB 4.31Å; K138-E141 HydrophobicContact CB-CG 3.69Å; K138-E141 HydrophobicContact CD-CG 3.93Å; K138-E141 HydrophobicContact CG-CG 4.29Å; K138-E141 IonicContact NZ-OE1 3.34Å; V139-E141 VanDerWaalsContact C-N 3.35Å | ||
| 142 | E | 94.8 | Very high | 93.7 | Very high | 109 Ų | 109 | 69.7 Ų | 69.7 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 161.5 | 179.3 | 65 | -174.8 | -167.7 | 0 | 0 | 110.8 | I213 L214 | E142-I213 HydrophobicContact CB-CG2 3.71Å; E142-I213 HydrophobicContact CG-CG2 4.05Å; E142-I213 WeakPolarHBondContact OE2-CG2 3.34Å; E142-L214 WeakPolarHBondContact CA-O 3.28Å |
| 143 | V | 95.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.1 | 175.5 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | V135 D164 L214 | V135-V143 HydrophobicContact CG1-CB 4.05Å; V135-V143 HydrophobicContact CG1-CG1 4.03Å; V135-V143 HydrophobicContact CG2-CG1 4.49Å; V143-D164 WeakPolarHBondContact CG2-O 3.38Å; V143-L214 HydrophobicContact CG1-CB 4.03Å; V143-L214 HydrophobicContact CG1-CD2 4.34Å; V143-L214 HydrophobicContact CG1-CG 4.47Å; V143-L214 PolarHBondContact N-O 2.8Å; V143-L214 PolarHBondContact O-N 2.82Å |
| 144 | E | 96.1 | Very high | 94.1 | Very high | 143 Ų | 143 | 70 Ų | 70 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 125.5 | 175.4 | -171.6 | 178 | -175.2 | 0 | 0 | 111 | I213 | E144-I213 HydrophobicContact CB-CD1 3.95Å; E144-I213 HydrophobicContact CG-CD1 4.15Å |
| 145 | L | 96.3 | Very high | 94.1 | Very high | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 103.9 | 168.9 | -59.6 | -174.2 | 0 | 0 | 0 | 108.9 | V151 I168 L192 L194 V208 G211 G212 L214 | L145-V151 HydrophobicContact CD2-CG2 4.23Å; L145-I168 HydrophobicContact CD1-CD1 3.98Å; L145-I168 HydrophobicContact CD2-CD1 4.41Å; L145-L192 HydrophobicContact CD1-CD1 4.12Å; L145-L194 HydrophobicContact CD1-CD2 4.36Å; L145-V208 HydrophobicContact CB-CG1 4.26Å; L145-V208 HydrophobicContact CB-CG2 4.23Å; L145-G211 CarbonylContact O-C 3.54Å; L145-G211 WeakPolarHBondContact O-CA 3.44Å; L145-G212 PolarHBondContact N-O 2.81Å; L145-G212 PolarHBondContact O-N 3.45Å; L145-L214 HydrophobicContact CD1-CB 4.33Å; L145-L214 HydrophobicContact CD1-CD2 4.36Å; L145-L214 HydrophobicContact CG-CB 4.32Å |
| 146 | A | 95.8 | Very high | 94.2 | Very high | 53 Ų | 53 | 70.6 Ų | 70.6 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | trans | -73 | 134 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G148 S149 V208 | A146-G148 PolarHBondContact O-N 3.23Å; A146-S149 VanDerWaalsContact O-CB 3.29Å; A146-S149 WeakPolarHBondContact O-CB 3.42Å; A146-S149 PolarHBondContact O-N 2.69Å; A146-S149 VanDerWaalsContact O-N 3.07Å; A146-S149 PolarHBondContact O-OG 2.8Å; A146-V208 WeakPolarHBondContact O-CB 3.33Å | ||
| 147 | K | 97.3 | Very high | 94.2 | Very high | 169 Ų | 169 | 70.9 Ų | 70.9 | 74% | 0.735 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | 133.2 | 176 | -177.3 | 174.6 | -179 | 174.6 | 0 | 111.2 | S149 E209 | K147-S149 VanDerWaalsContact C-N 3.27Å; K147-S149 PolarHBondContact O-N 2.67Å; K147-E209 VanDerWaalsContact CE-O 3.29Å; K147-E209 WeakPolarHBondContact CE-O 3.43Å |
| 148 | G | 97.2 | Very high | 94.4 | Very high | 47 Ų | 47 | 72.9 Ų | 72.9 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | -5.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A146 V208 | A146-G148 PolarHBondContact O-N 3.23Å; G148-V208 PolarHBondContact N-O 3.36Å |
| 149 | S | 96.9 | Very high | 94.5 | Very high | 38 Ų | 38 | 68.7 Ų | 68.7 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | trans | -72.1 | 157.1 | 174 | 76.7 | 0 | 0 | 0 | 0 | 111.5 | A146 K147 V207 V208 | A146-S149 VanDerWaalsContact O-CB 3.29Å; A146-S149 WeakPolarHBondContact O-CB 3.42Å; A146-S149 PolarHBondContact O-N 2.69Å; A146-S149 VanDerWaalsContact O-N 3.07Å; A146-S149 PolarHBondContact O-OG 2.8Å; K147-S149 VanDerWaalsContact C-N 3.27Å; K147-S149 PolarHBondContact O-N 2.67Å; S149-V207 WeakPolarHBondContact O-CA 3.46Å; S149-V208 PolarHBondContact O-N 3.43Å; S149-V208 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 150 | H | 97.6 | Very high | 94.8 | Very high | 137 Ų | 137 | 68.8 Ų | 68.8 | 63% | 0.634 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 133.2 | 173.8 | -75.4 | -91.3 | 0 | 0 | 0 | 110.6 | T206 V207 | H150-T206 WeakPolarHBondContact CA-O 3.48Å; H150-V207 VanDerWaalsContact CE1-CG2 3.47Å; H150-V207 WeakPolarHBondContact CE1-CG2 3.29Å |
| 151 | V | 97.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.012 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.5 | 178.3 | -178 | 0 | 0 | 0 | 0 | 109.1 | L145 G165 K166 I168 T206 V208 | L145-V151 HydrophobicContact CD2-CG2 4.23Å; V151-G165 WeakPolarHBondContact CG2-O 3.16Å; V151-K166 WeakPolarHBondContact CA-O 3.4Å; V151-I168 HydrophobicContact CG1-CB 4.43Å; V151-I168 HydrophobicContact CG1-CD1 3.59Å; V151-I168 HydrophobicContact CG1-CG1 3.66Å; V151-T206 PolarHBondContact N-O 2.82Å; V151-T206 WeakPolarHBondContact O-CA 3.3Å; V151-T206 PolarHBondContact O-N 3.5Å; V151-T206 PolarHBondContact O-OG1 2.83Å; V151-V208 HydrophobicContact CG2-CG2 3.63Å |
| 152 | R | 97.8 | Very high | 94.9 | Very high | 92 Ų | 92 | 64.1 Ų | 64.1 | 35% | 0.347 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.7 | 173.6 | -176.6 | 167.9 | -73 | -173.6 | -5.2 | 110.1 | V154 K166 I167 I168 W203 D205 | R152-V154 HydrophobicContact CG-CG1 3.83Å; R152-K166 PolarHBondContact N-O 3.4Å; R152-I167 CarbonylContact O-C 3.46Å; R152-I167 VanDerWaalsContact O-CA 3.29Å; R152-I167 WeakPolarHBondContact O-CA 3.21Å; R152-I168 PolarHBondContact O-N 2.87Å; R152-W203 HydrophobicContact CG-CB 3.93Å; R152-W203 HydrophobicContact CG-CE3 4.48Å; R152-W203 HydrophobicContact CG-CG 4.47Å; R152-D205 WeakPolarHBondContact CB-OD1 3.3Å; R152-D205 WeakPolarHBondContact CG-OD1 3.39Å; R152-D205 IonicContact CZ-OD1 2.66Å; R152-D205 IonicContact CZ-OD2 2.78Å; R152-D205 IonicContact NE-OD1 2.58Å; R152-D205 PolarHBondContact NE-OD1 3.33Å; R152-D205 IonicContact NE-OD2 3.96Å; R152-D205 IonicContact NH2-OD1 2.63Å; R152-D205 PolarHBondContact NH2-OD1 2.58Å; R152-D205 IonicContact NH2-OD2 3.92Å; R152-D205 PolarHBondContact NH2-OD2 3.48Å |
| 153 | V | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 128.2 | 171 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | I168 V170 L175 I185 L194 W203 V204 T206 | V153-I168 CarbonylContact C-O 3.58Å; V153-I168 VanDerWaalsContact CA-O 3.25Å; V153-I168 WeakPolarHBondContact CA-O 3.03Å; V153-V170 HydrophobicContact CG1-CB 4.5Å; V153-V170 HydrophobicContact CG1-CG1 3.79Å; V153-V170 HydrophobicContact CG1-CG2 3.89Å; V153-L175 HydrophobicContact CB-CD2 4.18Å; V153-L175 HydrophobicContact CG1-CD2 3.51Å; V153-I185 HydrophobicContact CG2-CD1 4.05Å; V153-L194 HydrophobicContact CG2-CD1 3.84Å; V153-W203 CarbonylContact O-C 3.5Å; V153-W203 WeakPolarHBondContact O-CA 3.27Å; V153-V204 HydrophobicContact CB-CB 4.44Å; V153-V204 PolarHBondContact N-O 2.96Å; V153-V204 PolarHBondContact O-N 3.26Å; V153-T206 HydrophobicContact CG2-CG2 4.04Å |
| 154 | V | 96.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 61.4 Ų | 61.4 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 153.8 | -176.4 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | R152 D159 I167 I168 W169 V170 W203 | R152-V154 HydrophobicContact CG-CG1 3.83Å; V154-D159 HydrophobicContact CG2-CB 3.78Å; V154-I167 HydrophobicContact CB-CG2 4.49Å; V154-I167 HydrophobicContact CG1-CG2 4.12Å; V154-I167 HydrophobicContact CG2-CG2 3.51Å; V154-I168 PolarHBondContact N-O 2.87Å; V154-W169 HydrophobicContact CG2-CB 4.09Å; V154-W169 WeakPolarHBondContact O-CA 3.43Å; V154-V170 PolarHBondContact O-N 3.47Å; V154-W203 HydrophobicContact CG1-CB 4.02Å |
| 155 | T | 94.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | trans | -124.3 | -2.9 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 113.8 | E157 V170 Y172 L175 D202 | T155-E157 PolarHBondContact O-N 3.45Å; T155-V170 HydrophobicContact CG2-CG2 3.87Å; T155-Y172 WeakPolarHBondContact CG2-O 3.42Å; T155-L175 HydrophobicContact CG2-CB 3.71Å; T155-L175 HydrophobicContact CG2-CD2 4.07Å; T155-D202 PolarHBondContact N-O 3.01Å; T155-D202 PolarHBondContact OG1-O 3.4Å | ||
| 156 | A | 93.4 | Very high | 94 | Very high | 20 Ų | 20 | 62.6 Ų | 62.6 | 17% | 0.165 | 33% | 0.329 | C | S | . | . | trans | -66.6 | 130.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S158 D159 W169 | A156-S158 PolarHBondContact O-N 2.69Å; A156-S158 VanDerWaalsContact O-N 3.11Å; A156-D159 PolarHBondContact O-N 2.94Å; A156-W169 VanDerWaalsContact O-CD1 3.23Å; A156-W169 PolarHBondContact O-NE1 3.4Å | ||
| 157 | E | 91.3 | Very high | 94 | Very high | 121 Ų | 121 | 62.6 Ų | 62.6 | 57% | 0.565 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -58.4 | -25.4 | 177.3 | -79.1 | -69.9 | 145.3 | 0 | 0 | 112.5 | T155 D159 K160 | T155-E157 PolarHBondContact O-N 3.45Å; E157-D159 PolarHBondContact O-N 2.8Å; E157-K160 WeakPolarHBondContact O-CB 3.37Å; E157-K160 PolarHBondContact O-N 2.9Å; E157-K160 IonicContact OE1-NZ 3.96Å; E157-K160 WeakPolarHBondContact OE2-CD 3.25Å; E157-K160 IonicContact OE2-NZ 2.81Å; E157-K160 PolarHBondContact OE2-NZ 3.35Å |
| 158 | S | 92.3 | Very high | 94 | Very high | 83 Ų | 83 | 54.6 Ų | 54.6 | 58% | 0.58 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -61.1 | -23.7 | 173.8 | 50.9 | 0 | 0 | 0 | 0 | 113.7 | A156 K162 | A156-S158 PolarHBondContact O-N 2.69Å; A156-S158 VanDerWaalsContact O-N 3.11Å; S158-K162 WeakPolarHBondContact O-CE 3.32Å; S158-K162 PolarHBondContact O-NZ 3.34Å |
| 159 | D | 91.3 | Very high | 94 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -106.5 | 8 | -179.2 | -62.8 | -46 | 0 | 0 | 0 | 113.5 | V154 A156 E157 D161 K162 | V154-D159 HydrophobicContact CG2-CB 3.78Å; A156-D159 PolarHBondContact O-N 2.94Å; E157-D159 PolarHBondContact O-N 2.8Å; D159-D161 PolarHBondContact O-N 2.75Å; D159-K162 HydrophobicContact CB-CD 4.44Å; D159-K162 WeakPolarHBondContact O-CB 3.38Å; D159-K162 PolarHBondContact O-N 2.85Å; D159-K162 VanDerWaalsContact O-N 3.17Å; D159-K162 IonicContact OD1-NZ 2.83Å; D159-K162 PolarHBondContact OD1-NZ 2.66Å |
| 160 | K | 91.9 | Very high | 93.9 | Very high | 91 Ų | 91 | 51 Ų | 51 | 40% | 0.396 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 135.9 | 172.6 | -173.1 | 166.4 | -174.3 | 168.6 | 0 | 110.7 | E157 K162 W169 | E157-K160 WeakPolarHBondContact O-CB 3.37Å; E157-K160 PolarHBondContact O-N 2.9Å; E157-K160 IonicContact OE1-NZ 3.96Å; E157-K160 WeakPolarHBondContact OE2-CD 3.25Å; E157-K160 IonicContact OE2-NZ 2.81Å; E157-K160 PolarHBondContact OE2-NZ 3.35Å; K160-K162 PolarHBondContact O-N 2.89Å; K160-K162 VanDerWaalsContact O-N 3.14Å; K160-W169 HydrophobicContact CB-CD2 4.27Å; K160-W169 HydrophobicContact CB-CZ2 4.17Å; K160-W169 HydrophobicContact CD-CH2 4.04Å; K160-W169 HydrophobicContact CD-CZ2 3.94Å; K160-W169 HydrophobicContact CG-CD2 4.25Å; K160-W169 HydrophobicContact CG-CE3 4.37Å; K160-W169 HydrophobicContact CG-CH2 4.04Å; K160-W169 HydrophobicContact CG-CZ2 3.94Å; K160-W169 HydrophobicContact CG-CZ3 4.27Å |
| 161 | D | 89.3 | Confident | 93.6 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 15.2 | 177.5 | -59.8 | -25.2 | 0 | 0 | 0 | 115.3 | L134 G137 D159 | L134-D161 HydrophobicContact CB-CB 3.81Å; L134-D161 WeakPolarHBondContact CB-OD1 3.44Å; L134-D161 HydrophobicContact CD1-CB 4.3Å; L134-D161 HydrophobicContact CG-CB 4.23Å; L134-D161 WeakPolarHBondContact CG-OD1 3.45Å; L134-D161 PolarHBondContact N-OD1 3.25Å; L134-D161 CarbonylContact O-C 3.56Å; L134-D161 VanDerWaalsContact O-C 3.32Å; L134-D161 WeakPolarHBondContact O-CA 3.46Å; G137-D161 WeakPolarHBondContact CA-O 3.38Å; G137-D161 PolarHBondContact N-O 3.25Å; D159-D161 PolarHBondContact O-N 2.75Å |
| 162 | K | 91.7 | Very high | 93.4 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 46% | 0.457 | 24% | 0.239 | S | C | . | . | trans | -97.2 | 24.6 | 172.2 | -55.9 | -173.9 | -164.5 | 157.7 | 0 | 113.4 | S158 D159 K160 D164 | S158-K162 WeakPolarHBondContact O-CE 3.32Å; S158-K162 PolarHBondContact O-NZ 3.34Å; D159-K162 HydrophobicContact CB-CD 4.44Å; D159-K162 WeakPolarHBondContact O-CB 3.38Å; D159-K162 PolarHBondContact O-N 2.85Å; D159-K162 VanDerWaalsContact O-N 3.17Å; D159-K162 IonicContact OD1-NZ 2.83Å; D159-K162 PolarHBondContact OD1-NZ 2.66Å; K160-K162 PolarHBondContact O-N 2.89Å; K160-K162 VanDerWaalsContact O-N 3.14Å; K162-D164 PolarHBondContact O-N 2.9Å | ||
| 163 | T | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -66.6 | 123.1 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | L134 V135 K136 I167 I168 W169 L214 | L134-T163 WeakPolarHBondContact O-CB 3.48Å; L134-T163 PolarHBondContact O-N 3.03Å; V135-T163 CarbonylContact C-O 3.51Å; V135-T163 VanDerWaalsContact CA-O 3.3Å; V135-T163 WeakPolarHBondContact CA-O 3.49Å; V135-T163 HydrophobicContact CG2-CG2 4.15Å; K136-T163 PolarHBondContact N-O 2.75Å; T163-I167 VanDerWaalsContact CA-O 3.3Å; T163-I167 WeakPolarHBondContact CA-O 3.26Å; T163-I168 HydrophobicContact CG2-CB 4.43Å; T163-I168 HydrophobicContact CG2-CG1 4.13Å; T163-I168 HydrophobicContact CG2-CG2 4.43Å; T163-W169 PolarHBondContact OG1-N 2.81Å; T163-L214 HydrophobicContact CG2-CD2 3.77Å |
| 164 | D | 92.6 | Very high | 92.9 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -144.5 | 11.3 | -171.2 | 76.6 | -9.7 | 0 | 0 | 0 | 114.4 | V143 K162 K166 I167 | V143-D164 WeakPolarHBondContact CG2-O 3.38Å; K162-D164 PolarHBondContact O-N 2.9Å; D164-K166 VanDerWaalsContact C-N 3.27Å; D164-K166 PolarHBondContact O-N 3.24Å; D164-K166 WeakPolarHBondContact OD1-CA 3.33Å; D164-K166 WeakPolarHBondContact OD1-CB 3.34Å; D164-K166 PolarHBondContact OD1-N 3.03Å; D164-I167 PolarHBondContact N-O 3.37Å; D164-I167 PolarHBondContact OD1-N 3.46Å |
| 165 | G | 85.4 | Confident | 92.8 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 11% | 0.113 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 85.3 | -12.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V151 | V151-G165 WeakPolarHBondContact CG2-O 3.16Š|
| 166 | K | 94.3 | Very high | 92.8 | Very high | 160 Ų | 160 | 48.8 Ų | 48.8 | 70% | 0.696 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -98.8 | -36.2 | 162.5 | -66.4 | -179.5 | -178.9 | 176.6 | 0 | 110.8 | V151 R152 D164 | V151-K166 WeakPolarHBondContact CA-O 3.4Å; R152-K166 PolarHBondContact N-O 3.4Å; D164-K166 VanDerWaalsContact C-N 3.27Å; D164-K166 PolarHBondContact O-N 3.24Å; D164-K166 WeakPolarHBondContact OD1-CA 3.33Å; D164-K166 WeakPolarHBondContact OD1-CB 3.34Å; D164-K166 PolarHBondContact OD1-N 3.03Å |
| 167 | I | 95.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 54.9 Ų | 54.9 | 27% | 0.272 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.7 | 174.6 | -61.5 | 175.1 | 0 | 0 | 0 | 108.6 | R152 V154 T163 D164 | R152-I167 CarbonylContact O-C 3.46Å; R152-I167 VanDerWaalsContact O-CA 3.29Å; R152-I167 WeakPolarHBondContact O-CA 3.21Å; V154-I167 HydrophobicContact CB-CG2 4.49Å; V154-I167 HydrophobicContact CG1-CG2 4.12Å; V154-I167 HydrophobicContact CG2-CG2 3.51Å; T163-I167 VanDerWaalsContact CA-O 3.3Å; T163-I167 WeakPolarHBondContact CA-O 3.26Å; D164-I167 PolarHBondContact N-O 3.37Å; D164-I167 PolarHBondContact OD1-N 3.46Å |
| 168 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 118.4 | 167.6 | -62.2 | 175 | 0 | 0 | 0 | 107.7 | L145 V151 R152 V153 V154 T163 V170 I187 L194 L214 | L145-I168 HydrophobicContact CD1-CD1 3.98Å; L145-I168 HydrophobicContact CD2-CD1 4.41Å; V151-I168 HydrophobicContact CG1-CB 4.43Å; V151-I168 HydrophobicContact CG1-CD1 3.59Å; V151-I168 HydrophobicContact CG1-CG1 3.66Å; R152-I168 PolarHBondContact O-N 2.87Å; V153-I168 CarbonylContact C-O 3.58Å; V153-I168 VanDerWaalsContact CA-O 3.25Å; V153-I168 WeakPolarHBondContact CA-O 3.03Å; V154-I168 PolarHBondContact N-O 2.87Å; T163-I168 HydrophobicContact CG2-CB 4.43Å; T163-I168 HydrophobicContact CG2-CG1 4.13Å; T163-I168 HydrophobicContact CG2-CG2 4.43Å; I168-V170 HydrophobicContact CG2-CG1 4.18Å; I168-I187 HydrophobicContact CD1-CD1 3.95Å; I168-I187 HydrophobicContact CG2-CD1 4.4Å; I168-L194 HydrophobicContact CD1-CD1 4.04Å; I168-L214 HydrophobicContact CD1-CD2 3.78Å; I168-L214 HydrophobicContact CG1-CD2 3.96Å; I168-L214 HydrophobicContact CG2-CD2 4.47Å |
| 169 | W | 96.5 | Very high | 92.9 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 4% | 0.038 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 139.5 | 171.6 | -179.2 | 91.7 | 0 | 0 | 0 | 110.5 | S132 G133 V154 A156 K160 T163 D171 | S132-W169 CarbonylContact C-O 3.52Å; S132-W169 VanDerWaalsContact CA-O 3.25Å; S132-W169 WeakPolarHBondContact CA-O 3.26Å; G133-W169 PolarHBondContact N-O 3.02Å; V154-W169 HydrophobicContact CG2-CB 4.09Å; V154-W169 WeakPolarHBondContact O-CA 3.43Å; A156-W169 VanDerWaalsContact O-CD1 3.23Å; A156-W169 PolarHBondContact O-NE1 3.4Å; K160-W169 HydrophobicContact CB-CD2 4.27Å; K160-W169 HydrophobicContact CB-CZ2 4.17Å; K160-W169 HydrophobicContact CD-CH2 4.04Å; K160-W169 HydrophobicContact CD-CZ2 3.94Å; K160-W169 HydrophobicContact CG-CD2 4.25Å; K160-W169 HydrophobicContact CG-CE3 4.37Å; K160-W169 HydrophobicContact CG-CH2 4.04Å; K160-W169 HydrophobicContact CG-CZ2 3.94Å; K160-W169 HydrophobicContact CG-CZ3 4.27Å; T163-W169 PolarHBondContact OG1-N 2.81Å; W169-D171 HydrophobicContact CH2-CB 3.44Å; W169-D171 VanDerWaalsContact CH2-CB 3.44Å; W169-D171 HydrophobicContact CZ2-CB 4.3Å; W169-D171 HydrophobicContact CZ3-CB 3.71Å |
| 170 | V | 95.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -130.8 | 147 | 172.7 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | I130 R131 V153 V154 T155 I168 Y172 L175 V220 | I130-V170 HydrophobicContact CG2-CB 4.3Å; R131-V170 WeakPolarHBondContact O-CA 2.98Å; V153-V170 HydrophobicContact CG1-CB 4.5Å; V153-V170 HydrophobicContact CG1-CG1 3.79Å; V153-V170 HydrophobicContact CG1-CG2 3.89Å; V154-V170 PolarHBondContact O-N 3.47Å; T155-V170 HydrophobicContact CG2-CG2 3.87Å; I168-V170 HydrophobicContact CG2-CG1 4.18Å; V170-Y172 PolarHBondContact O-N 3.02Å; V170-Y172 VanDerWaalsContact O-N 3.11Å; V170-L175 HydrophobicContact CG2-CD2 3.73Å; V170-L175 HydrophobicContact CG2-CG 4.48Å; V170-V220 HydrophobicContact CG1-CG2 3.96Å |
| 171 | D | 92 | Very high | 93.3 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -82.2 | 23.9 | -173.7 | 67.3 | -1.2 | 0 | 0 | 0 | 115.2 | I130 R131 W169 P173 | I130-D171 WeakPolarHBondContact CA-OD1 3.3Å; I130-D171 WeakPolarHBondContact CG2-OD1 3.15Å; R131-D171 PolarHBondContact N-OD1 2.96Å; R131-D171 PolarHBondContact O-N 3.3Å; W169-D171 HydrophobicContact CH2-CB 3.44Å; W169-D171 VanDerWaalsContact CH2-CB 3.44Å; W169-D171 HydrophobicContact CZ2-CB 4.3Å; W169-D171 HydrophobicContact CZ3-CB 3.71Å; D171-P173 WeakPolarHBondContact O-CD 3.47Å |
| 172 | Y | 92.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | trans | -120.6 | 90.7 | 179.9 | 178.9 | -126.4 | 0 | 0 | 0 | 112 | I130 T155 V170 N174 L175 V178 L222 L227 I228 L230 | I130-Y172 HydrophobicContact CD1-CD1 3.7Å; I130-Y172 HydrophobicContact CD1-CE1 4.3Å; I130-Y172 HydrophobicContact CD1-CG 3.83Å; I130-Y172 HydrophobicContact CG1-CG 4.19Å; T155-Y172 WeakPolarHBondContact CG2-O 3.42Å; V170-Y172 PolarHBondContact O-N 3.02Å; V170-Y172 VanDerWaalsContact O-N 3.11Å; Y172-N174 HydrophobicContact CD2-CB 4.46Å; Y172-N174 HydrophobicContact CE1-CB 4.23Å; Y172-N174 HydrophobicContact CE2-CB 3.73Å; Y172-N174 PolarHBondContact O-N 2.61Å; Y172-L175 HydrophobicContact CD1-CB 3.85Å; Y172-L175 HydrophobicContact CD1-CD1 4.19Å; Y172-L175 HydrophobicContact CE1-CB 4.45Å; Y172-L175 VanDerWaalsContact O-CB 3.24Å; Y172-L175 WeakPolarHBondContact O-CB 3.38Å; Y172-L175 PolarHBondContact O-N 3.14Å; Y172-V178 HydrophobicContact CE1-CG2 3.72Å; Y172-V178 WeakPolarHBondContact OH-CG1 3.39Å; Y172-L222 HydrophobicContact CD1-CD1 3.95Å; Y172-L222 HydrophobicContact CE1-CD1 4Å; Y172-L227 HydrophobicContact CE1-CD2 4.05Å; Y172-I228 WeakPolarHBondContact CE2-O 3.26Å; Y172-I228 PolarHBondContact OH-N 2.74Å; Y172-I228 PolarHBondContact OH-O 3.2Å; Y172-L230 HydrophobicContact CD2-CD1 4.17Å; Y172-L230 HydrophobicContact CD2-CD2 3.73Å; Y172-L230 HydrophobicContact CD2-CG 3.89Å; Y172-L230 HydrophobicContact CE2-CD1 4Å; Y172-L230 HydrophobicContact CE2-CD2 3.99Å; Y172-L230 HydrophobicContact CE2-CG 3.64Å | ||
| 173 | P | 91.9 | Very high | 93.6 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.7 | -175.9 | -27.6 | 35.7 | 0 | 0 | 0 | 115.9 | D171 L175 | D171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-L175 VanDerWaalsContact C-N 3.3Å |
| 174 | N | 93.1 | Very high | 93.8 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 19% | 0.193 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 7.1 | 177.3 | -68.3 | -39.7 | 0 | 0 | 0 | 113.1 | Y172 K177 V178 I228 | Y172-N174 HydrophobicContact CD2-CB 4.46Å; Y172-N174 HydrophobicContact CE1-CB 4.23Å; Y172-N174 HydrophobicContact CE2-CB 3.73Å; Y172-N174 PolarHBondContact O-N 2.61Å; N174-K177 HydrophobicContact CB-CD 4.41Å; N174-K177 WeakPolarHBondContact O-CB 3.48Å; N174-K177 PolarHBondContact O-N 2.82Å; N174-K177 WeakPolarHBondContact OD1-CD 3.37Å; N174-K177 PolarHBondContact OD1-NZ 2.95Å; N174-V178 PolarHBondContact O-N 2.93Å; N174-I228 HydrophobicContact CB-CG1 4.08Å; N174-I228 PolarHBondContact ND2-O 2.83Å |
| 175 | L | 94.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -49.3 | -50.8 | 179.7 | -177.5 | 82.2 | 0 | 0 | 0 | 113.1 | V153 T155 V170 Y172 P173 K177 V178 L179 V204 L222 | V153-L175 HydrophobicContact CB-CD2 4.18Å; V153-L175 HydrophobicContact CG1-CD2 3.51Å; T155-L175 HydrophobicContact CG2-CB 3.71Å; T155-L175 HydrophobicContact CG2-CD2 4.07Å; V170-L175 HydrophobicContact CG2-CD2 3.73Å; V170-L175 HydrophobicContact CG2-CG 4.48Å; Y172-L175 HydrophobicContact CD1-CB 3.85Å; Y172-L175 HydrophobicContact CD1-CD1 4.19Å; Y172-L175 HydrophobicContact CE1-CB 4.45Å; Y172-L175 VanDerWaalsContact O-CB 3.24Å; Y172-L175 WeakPolarHBondContact O-CB 3.38Å; Y172-L175 PolarHBondContact O-N 3.14Å; P173-L175 VanDerWaalsContact C-N 3.3Å; L175-K177 PolarHBondContact O-N 2.92Å; L175-V178 PolarHBondContact O-N 3.24Å; L175-L179 HydrophobicContact CD1-CD1 3.73Å; L175-L179 HydrophobicContact CD1-CG 4.42Å; L175-L179 HydrophobicContact CD2-CD1 4.36Å; L175-L179 HydrophobicContact CG-CD1 3.73Å; L175-L179 PolarHBondContact O-N 3.24Å; L175-V204 HydrophobicContact CD2-CG2 4.13Å; L175-V204 HydrophobicContact CG-CG2 4.45Å; L175-L222 HydrophobicContact CD1-CD1 3.45Å; L175-L222 VanDerWaalsContact CD1-CD1 3.45Å; L175-L222 HydrophobicContact CD1-CD2 3.6Å; L175-L222 HydrophobicContact CD1-CG 4.18Å |
| 176 | P | 94.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.091 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -20.8 | -178.4 | -19.1 | 34.2 | 0 | 0 | 0 | 113.1 | I199 V204 | P176-I199 HydrophobicContact CB-CG2 3.85Å; P176-I199 WeakPolarHBondContact O-CG2 3.4Å; P176-V204 HydrophobicContact CB-CG2 4.28Å; P176-V204 HydrophobicContact CG-CG2 4.3Å |
| 177 | K | 93.8 | Very high | 94.4 | Very high | 148 Ų | 148 | 46.1 Ų | 46.1 | 64% | 0.643 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -83 | -22.7 | -177.1 | -57.8 | 179 | -171.7 | 162.4 | 0 | 113.6 | N174 L175 I228 | N174-K177 HydrophobicContact CB-CD 4.41Å; N174-K177 WeakPolarHBondContact O-CB 3.48Å; N174-K177 PolarHBondContact O-N 2.82Å; N174-K177 WeakPolarHBondContact OD1-CD 3.37Å; N174-K177 PolarHBondContact OD1-NZ 2.95Å; L175-K177 PolarHBondContact O-N 2.92Å; K177-I228 HydrophobicContact CB-CD1 4.47Å |
| 178 | V | 92.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 9% | 0.085 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -105.6 | -15.6 | -175.9 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | Y172 N174 L175 L222 C225 D226 L227 I228 | Y172-V178 HydrophobicContact CE1-CG2 3.72Å; Y172-V178 WeakPolarHBondContact OH-CG1 3.39Å; N174-V178 PolarHBondContact O-N 2.93Å; L175-V178 PolarHBondContact O-N 3.24Å; V178-L222 HydrophobicContact CG2-CD1 4.34Å; V178-C225 HydrophobicContact CB-CB 4.29Å; V178-C225 HydrophobicContact CG2-CB 4.22Å; V178-D226 WeakPolarHBondContact CG1-O 3.45Å; V178-L227 HydrophobicContact CG2-CD2 4.3Å; V178-I228 HydrophobicContact CG1-CD1 4.12Å; V178-I228 HydrophobicContact CG1-CG1 3.73Å |
| 179 | L | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -84.9 | 156.7 | 177.8 | -77 | 172.7 | 0 | 0 | 0 | 111.8 | L175 K183 I185 V196 I199 V204 L222 | L175-L179 HydrophobicContact CD1-CD1 3.73Å; L175-L179 HydrophobicContact CD1-CG 4.42Å; L175-L179 HydrophobicContact CD2-CD1 4.36Å; L175-L179 HydrophobicContact CG-CD1 3.73Å; L175-L179 PolarHBondContact O-N 3.24Å; L179-K183 HydrophobicContact CD2-CB 4.23Å; L179-I185 HydrophobicContact CD1-CD1 3.69Å; L179-I185 HydrophobicContact CD1-CG1 3.97Å; L179-I185 HydrophobicContact CD2-CG1 4.29Å; L179-V196 HydrophobicContact CD1-CG2 4.09Å; L179-V196 HydrophobicContact CD2-CG2 4.17Å; L179-I199 HydrophobicContact CB-CD1 4.04Å; L179-I199 VanDerWaalsContact O-CD1 3.27Å; L179-I199 WeakPolarHBondContact O-CD1 3.41Å; L179-V204 HydrophobicContact CD1-CG1 4.2Å; L179-V204 HydrophobicContact CD1-CG2 4.07Å; L179-L222 HydrophobicContact CD2-CD2 4.29Å | ||
| 180 | E | 93.8 | Very high | 93.2 | Very high | 116 Ų | 116 | 51 Ų | 51 | 54% | 0.542 | 26% | 0.261 | S | S | . | . | trans | -133 | 153 | 173 | -67.2 | 164.2 | -131.5 | 0 | 0 | 108.7 | G182 K183 | E180-G182 PolarHBondContact O-N 3.36Å; E180-K183 HydrophobicContact CB-CD 3.99Å; E180-K183 HydrophobicContact CB-CG 4.12Å; E180-K183 VanDerWaalsContact CD-CE 3.46Å; E180-K183 WeakPolarHBondContact O-CB 3.21Å; E180-K183 PolarHBondContact O-N 3.11Å; E180-K183 VanDerWaalsContact O-N 3.07Å; E180-K183 WeakPolarHBondContact OE1-CE 3.48Å; E180-K183 IonicContact OE1-NZ 3.19Å; E180-K183 PolarHBondContact OE1-NZ 2.87Å; E180-K183 IonicContact OE2-NZ 3.13Å | ||
| 181 | K | 95.8 | Very high | 92.9 | Very high | 165 Ų | 165 | 56.8 Ų | 56.8 | 72% | 0.717 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.7 | 176.2 | -176.8 | 171 | -177.9 | 166.1 | 0 | 110.8 | K183 V197 | K181-K183 VanDerWaalsContact C-N 3.34Å; K181-V197 VanDerWaalsContact CD-O 3.28Å; K181-V197 WeakPolarHBondContact CD-O 3.28Å; K181-V197 WeakPolarHBondContact CE-O 3.48Å; K181-V197 WeakPolarHBondContact CG-O 3.43Å |
| 182 | G | 94.7 | Very high | 93.1 | Very high | 38 Ų | 38 | 53.8 Ų | 53.8 | 39% | 0.392 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | -10.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E180 V196 | E180-G182 PolarHBondContact O-N 3.36Å; G182-V196 PolarHBondContact N-O 3.37Å |
| 183 | K | 94.3 | Very high | 93.2 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 18% | 0.183 | 28% | 0.276 | C | S | . | . | trans | -69.1 | 167.2 | 170.4 | -69.2 | -168.7 | -178.9 | 174.4 | 0 | 111.4 | L179 E180 K181 V196 S224 | L179-K183 HydrophobicContact CD2-CB 4.23Å; E180-K183 HydrophobicContact CB-CD 3.99Å; E180-K183 HydrophobicContact CB-CG 4.12Å; E180-K183 VanDerWaalsContact CD-CE 3.46Å; E180-K183 WeakPolarHBondContact O-CB 3.21Å; E180-K183 PolarHBondContact O-N 3.11Å; E180-K183 VanDerWaalsContact O-N 3.07Å; E180-K183 WeakPolarHBondContact OE1-CE 3.48Å; E180-K183 IonicContact OE1-NZ 3.19Å; E180-K183 PolarHBondContact OE1-NZ 2.87Å; E180-K183 IonicContact OE2-NZ 3.13Å; K181-K183 VanDerWaalsContact C-N 3.34Å; K183-V196 WeakPolarHBondContact O-CG2 3.49Å; K183-V196 PolarHBondContact O-N 3.4Å; K183-S224 PolarHBondContact NZ-O 2.87Å | ||
| 184 | R | 95.1 | Very high | 93.5 | Very high | 109 Ų | 109 | 49.9 Ų | 49.9 | 41% | 0.411 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.6 | -178.8 | -67.3 | -177.4 | -179.3 | 102.6 | 4.3 | 111.8 | Y186 L194 E209 | R184-Y186 HydrophobicContact CB-CD2 4.17Å; R184-Y186 HydrophobicContact CB-CE2 3.64Å; R184-Y186 WeakPolarHBondContact CD-OH 3.34Å; R184-Y186 HydrophobicContact CG-CE2 4.46Å; R184-L194 CarbonylContact C-O 3.56Å; R184-L194 VanDerWaalsContact CA-O 3.24Å; R184-L194 WeakPolarHBondContact CA-O 3.47Å; R184-E209 IonicContact CZ-OE2 3.63Å; R184-E209 IonicContact NE-OE2 2.74Å; R184-E209 PolarHBondContact NE-OE2 2.89Å; R184-E209 IonicContact NH2-OE2 2.76Å |
| 185 | I | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.3 | 165.7 | -55.1 | 174.4 | 0 | 0 | 0 | 106 | V153 L179 I187 L194 V196 T206 V220 L222 | V153-I185 HydrophobicContact CG2-CD1 4.05Å; L179-I185 HydrophobicContact CD1-CD1 3.69Å; L179-I185 HydrophobicContact CD1-CG1 3.97Å; L179-I185 HydrophobicContact CD2-CG1 4.29Å; I185-I187 HydrophobicContact CG2-CG1 4.28Å; I185-L194 HydrophobicContact CB-CB 4.24Å; I185-L194 PolarHBondContact N-O 3.15Å; I185-L194 PolarHBondContact O-N 3.28Å; I185-V196 HydrophobicContact CD1-CG2 4.33Å; I185-V196 HydrophobicContact CG1-CG2 4.29Å; I185-T206 HydrophobicContact CD1-CG2 4.18Å; I185-V220 HydrophobicContact CG2-CG1 3.56Å; I185-L222 HydrophobicContact CB-CD2 4.2Å; I185-L222 HydrophobicContact CG1-CD2 3.84Å; I185-L222 HydrophobicContact CG2-CD2 3.87Å |
| 186 | Y | 95.4 | Very high | 93.9 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 22% | 0.22 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 140.8 | 176 | -74.3 | -84.3 | 0 | 0 | 0 | 109.5 | R184 L192 A193 V220 N221 P223 I311 | R184-Y186 HydrophobicContact CB-CD2 4.17Å; R184-Y186 HydrophobicContact CB-CE2 3.64Å; R184-Y186 WeakPolarHBondContact CD-OH 3.34Å; R184-Y186 HydrophobicContact CG-CE2 4.46Å; Y186-L192 WeakPolarHBondContact CA-O 3.43Å; Y186-A193 HydrophobicContact CD1-CB 3.97Å; Y186-A193 HydrophobicContact CE1-CB 3.82Å; Y186-V220 CarbonylContact O-C 3.5Å; Y186-V220 VanDerWaalsContact O-CA 3.29Å; Y186-V220 WeakPolarHBondContact O-CA 3.45Å; Y186-N221 PolarHBondContact N-O 3.07Å; Y186-N221 PolarHBondContact O-N 3.49Å; Y186-P223 HydrophobicContact CD2-CG 3.53Å; Y186-P223 HydrophobicContact CE2-CG 3.75Å; Y186-I311 HydrophobicContact CD2-CG2 4.4Å; Y186-I311 HydrophobicContact CG-CG2 4.07Å |
| 187 | I | 94.4 | Very high | 94 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145 | 179.1 | -49.4 | 175.2 | 0 | 0 | 0 | 108.7 | I168 I185 L191 L192 L194 L214 K218 G219 V220 | I168-I187 HydrophobicContact CD1-CD1 3.95Å; I168-I187 HydrophobicContact CG2-CD1 4.4Å; I185-I187 HydrophobicContact CG2-CG1 4.28Å; I187-L191 PolarHBondContact O-N 3.34Å; I187-L192 HydrophobicContact CB-CB 4.09Å; I187-L192 HydrophobicContact CB-CD1 4.35Å; I187-L192 HydrophobicContact CG2-CD1 4.43Å; I187-L192 PolarHBondContact N-O 2.66Å; I187-L192 WeakPolarHBondContact O-CB 3.43Å; I187-L192 PolarHBondContact O-N 3.03Å; I187-L194 HydrophobicContact CD1-CD1 3.85Å; I187-L194 HydrophobicContact CD1-CG 4.42Å; I187-L214 HydrophobicContact CG2-CD1 3.64Å; I187-K218 HydrophobicContact CG2-CB 3.82Å; I187-G219 WeakPolarHBondContact CA-O 3.13Å; I187-V220 HydrophobicContact CG1-CG2 4.3Å; I187-V220 HydrophobicContact CG2-CG2 4.48Å |
| 188 | D | 89.6 | Confident | 94.2 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 70.2 | 176.8 | -160.5 | 22 | 0 | 0 | 0 | 112.3 | G190 L191 K218 G219 | D188-G190 PolarHBondContact O-N 3.29Å; D188-G190 VanDerWaalsContact O-N 3.09Å; D188-L191 VanDerWaalsContact O-CB 3.26Å; D188-L191 WeakPolarHBondContact O-CB 3.4Å; D188-L191 VanDerWaalsContact O-CG 3.22Å; D188-L191 WeakPolarHBondContact O-CG 3.41Å; D188-L191 PolarHBondContact O-N 2.66Å; D188-K218 HydrophobicContact CB-CB 4.12Å; D188-K218 HydrophobicContact CB-CD 4.29Å; D188-K218 HydrophobicContact CB-CG 4.1Å; D188-K218 VanDerWaalsContact OD1-CD 3.32Å; D188-K218 WeakPolarHBondContact OD1-CD 3.5Å; D188-K218 IonicContact OD1-NZ 2.83Å; D188-K218 PolarHBondContact OD1-NZ 3.29Å; D188-K218 IonicContact OD2-NZ 3.29Å; D188-K218 PolarHBondContact OD2-NZ 3.07Å; D188-G219 PolarHBondContact N-O 3.16Å |
| 189 | D | 84.5 | Confident | 94.5 | Very high | 118 Ų | 118 | 54.3 Ų | 54.3 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 29.2 | 179.9 | -57 | -20.3 | 0 | 0 | 0 | 113.9 | L191 I311 | D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.35Å; D189-I311 VanDerWaalsContact C-CD1 3.41Å; D189-I311 HydrophobicContact CB-CD1 4.4Å |
| 190 | G | 88.1 | Confident | 94.5 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 25% | 0.247 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 5.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | D188 | D188-G190 PolarHBondContact O-N 3.29Å; D188-G190 VanDerWaalsContact O-N 3.09Å |
| 191 | L | 90.2 | Very high | 94.3 | Very high | 121 Ų | 121 | 54.6 Ų | 54.6 | 63% | 0.634 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -36.4 | 178.3 | -64.2 | 175.5 | 0 | 0 | 0 | 112.3 | I187 D188 D189 | I187-L191 PolarHBondContact O-N 3.34Å; D188-L191 VanDerWaalsContact O-CB 3.26Å; D188-L191 WeakPolarHBondContact O-CB 3.4Å; D188-L191 VanDerWaalsContact O-CG 3.22Å; D188-L191 WeakPolarHBondContact O-CG 3.41Å; D188-L191 PolarHBondContact O-N 2.66Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.35Å |
| 192 | L | 95 | Very high | 94 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.3 | 174.8 | -55.7 | 172.8 | 0 | 0 | 0 | 109.4 | L145 Y186 I187 L214 | L145-L192 HydrophobicContact CD1-CD1 4.12Å; Y186-L192 WeakPolarHBondContact CA-O 3.43Å; I187-L192 HydrophobicContact CB-CB 4.09Å; I187-L192 HydrophobicContact CB-CD1 4.35Å; I187-L192 HydrophobicContact CG2-CD1 4.43Å; I187-L192 PolarHBondContact N-O 2.66Å; I187-L192 WeakPolarHBondContact O-CB 3.43Å; I187-L192 PolarHBondContact O-N 3.03Å; L192-L214 HydrophobicContact CD1-CB 3.88Å; L192-L214 HydrophobicContact CD1-CD1 3.93Å; L192-L214 HydrophobicContact CD1-CG 4.48Å |
| 193 | A | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 5% | 0.05 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y186 E209 A210 | Y186-A193 HydrophobicContact CD1-CB 3.97Å; Y186-A193 HydrophobicContact CE1-CB 3.82Å; A193-E209 HydrophobicContact CB-CB 4.44Å; A193-E209 PolarHBondContact O-N 3.44Å; A193-A210 HydrophobicContact CB-CB 3.84Å; A193-A210 PolarHBondContact N-O 3.12Å; A193-A210 VanDerWaalsContact N-O 3.08Å; A193-A210 PolarHBondContact O-N 2.83Å; A193-A210 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.7 | 176.1 | -47.4 | 178.8 | 0 | 0 | 0 | 109.3 | L145 V153 I168 R184 I185 I187 T206 V208 | L145-L194 HydrophobicContact CD1-CD2 4.36Å; V153-L194 HydrophobicContact CG2-CD1 3.84Å; I168-L194 HydrophobicContact CD1-CD1 4.04Å; R184-L194 CarbonylContact C-O 3.56Å; R184-L194 VanDerWaalsContact CA-O 3.24Å; R184-L194 WeakPolarHBondContact CA-O 3.47Å; I185-L194 HydrophobicContact CB-CB 4.24Å; I185-L194 PolarHBondContact N-O 3.15Å; I185-L194 PolarHBondContact O-N 3.28Å; I187-L194 HydrophobicContact CD1-CD1 3.85Å; I187-L194 HydrophobicContact CD1-CG 4.42Å; L194-T206 HydrophobicContact CB-CG2 4.11Å; L194-V208 HydrophobicContact CD2-CB 4.34Å; L194-V208 HydrophobicContact CD2-CG2 3.8Å |
| 195 | K | 97.6 | Very high | 94.4 | Very high | 84 Ų | 84 | 45 Ų | 45 | 37% | 0.365 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.8 | 173.1 | -174.9 | -172.5 | -153.4 | 150.8 | 0 | 110.6 | V197 T206 V207 E209 | K195-V197 PolarHBondContact O-N 2.63Å; K195-T206 CarbonylContact O-C 3.52Å; K195-T206 WeakPolarHBondContact O-CA 3.2Å; K195-T206 WeakPolarHBondContact O-CB 3.34Å; K195-V207 PolarHBondContact N-O 3.41Å; K195-V207 PolarHBondContact O-N 3.29Å; K195-E209 HydrophobicContact CB-CG 3.79Å; K195-E209 WeakPolarHBondContact CD-OE1 3.48Å; K195-E209 IonicContact NZ-OE1 3.99Å; K195-E209 PolarHBondContact NZ-OE1 3.21Å |
| 196 | V | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.2 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | L179 G182 K183 I185 I199 V204 | L179-V196 HydrophobicContact CD1-CG2 4.09Å; L179-V196 HydrophobicContact CD2-CG2 4.17Å; G182-V196 PolarHBondContact N-O 3.37Å; K183-V196 WeakPolarHBondContact O-CG2 3.49Å; K183-V196 PolarHBondContact O-N 3.4Å; I185-V196 HydrophobicContact CD1-CG2 4.33Å; I185-V196 HydrophobicContact CG1-CG2 4.29Å; V196-I199 HydrophobicContact CG1-CD1 4.04Å; V196-I199 HydrophobicContact CG1-CG1 3.71Å; V196-V204 HydrophobicContact CB-CG1 4.27Å; V196-V204 HydrophobicContact CG1-CG1 3.62Å; V196-V204 HydrophobicContact CG2-CG1 3.87Å |
| 197 | V | 97.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 44 Ų | 44 | 31% | 0.309 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -44.6 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | K181 K195 D205 V207 | K181-V197 VanDerWaalsContact CD-O 3.28Å; K181-V197 WeakPolarHBondContact CD-O 3.28Å; K181-V197 WeakPolarHBondContact CE-O 3.48Å; K181-V197 WeakPolarHBondContact CG-O 3.43Å; K195-V197 PolarHBondContact O-N 2.63Å; V197-D205 PolarHBondContact N-O 3.26Å; V197-V207 HydrophobicContact CG2-CB 4.26Å; V197-V207 HydrophobicContact CG2-CG2 3.72Å |
| 198 | E | 97.8 | Very high | 94.8 | Very high | 111 Ų | 111 | 44.1 Ų | 44.1 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 148.6 | -177.7 | -173.8 | 172.6 | -178.8 | 0 | 0 | 110.3 | W203 V204 D205 | E198-W203 HydrophobicContact CB-CZ3 4.36Å; E198-W203 HydrophobicContact CG-CH2 4.01Å; E198-W203 HydrophobicContact CG-CZ3 4.17Å; E198-V204 CarbonylContact O-C 3.59Å; E198-D205 HydrophobicContact CB-CB 4.24Å; E198-D205 PolarHBondContact N-O 3Å; E198-D205 PolarHBondContact O-N 3.38Å |
| 199 | I | 97.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 45.7 Ų | 45.7 | 30% | 0.303 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 121.7 | -177.6 | -59.7 | 176.3 | 0 | 0 | 0 | 107.8 | P176 L179 V196 V204 | P176-I199 HydrophobicContact CB-CG2 3.85Å; P176-I199 WeakPolarHBondContact O-CG2 3.4Å; L179-I199 HydrophobicContact CB-CD1 4.04Å; L179-I199 VanDerWaalsContact O-CD1 3.27Å; L179-I199 WeakPolarHBondContact O-CD1 3.41Å; V196-I199 HydrophobicContact CG1-CD1 4.04Å; V196-I199 HydrophobicContact CG1-CG1 3.71Å; I199-V204 HydrophobicContact CG1-CG1 4.33Å; I199-V204 HydrophobicContact CG2-CG2 4.47Å |
| 200 | G | 95.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 16% | 0.155 | 23% | 0.234 | C | C | . | . | trans | -97.8 | -171 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W203 | G200-W203 WeakPolarHBondContact CA-O 3.41Å; G200-W203 PolarHBondContact N-O 2.9Å | ||
| 201 | P | 90.1 | Very high | 96 | Very high | 115 Ų | 115 | 42.4 Ų | 42.4 | 75% | 0.747 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -67.6 | -37.7 | -179.3 | 25 | -32.3 | 0 | 0 | 0 | 113.5 | ||
| 202 | D | 89.1 | Confident | 96.3 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -136.6 | 10.9 | -175 | 62.2 | -19.8 | 0 | 0 | 0 | 113.1 | T155 | T155-D202 PolarHBondContact N-O 3.01Å; T155-D202 PolarHBondContact OG1-O 3.4Å |
| 203 | W | 95.9 | Very high | 96.3 | Very high | 48 Ų | 48 | 41.2 Ų | 41.2 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 160.7 | -179.6 | 60.5 | -99 | 0 | 0 | 0 | 112.3 | R152 V153 V154 E198 G200 D205 | R152-W203 HydrophobicContact CG-CB 3.93Å; R152-W203 HydrophobicContact CG-CE3 4.48Å; R152-W203 HydrophobicContact CG-CG 4.47Å; V153-W203 CarbonylContact O-C 3.5Å; V153-W203 WeakPolarHBondContact O-CA 3.27Å; V154-W203 HydrophobicContact CG1-CB 4.02Å; E198-W203 HydrophobicContact CB-CZ3 4.36Å; E198-W203 HydrophobicContact CG-CH2 4.01Å; E198-W203 HydrophobicContact CG-CZ3 4.17Å; G200-W203 WeakPolarHBondContact CA-O 3.41Å; G200-W203 PolarHBondContact N-O 2.9Å; W203-D205 HydrophobicContact CE3-CB 4.28Å; W203-D205 HydrophobicContact CZ3-CB 3.84Å; W203-D205 WeakPolarHBondContact CZ3-OD2 3.45Å |
| 204 | V | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 118.3 | 177.2 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | V153 L175 P176 L179 V196 E198 I199 T206 | V153-V204 HydrophobicContact CB-CB 4.44Å; V153-V204 PolarHBondContact N-O 2.96Å; V153-V204 PolarHBondContact O-N 3.26Å; L175-V204 HydrophobicContact CD2-CG2 4.13Å; L175-V204 HydrophobicContact CG-CG2 4.45Å; P176-V204 HydrophobicContact CB-CG2 4.28Å; P176-V204 HydrophobicContact CG-CG2 4.3Å; L179-V204 HydrophobicContact CD1-CG1 4.2Å; L179-V204 HydrophobicContact CD1-CG2 4.07Å; V196-V204 HydrophobicContact CB-CG1 4.27Å; V196-V204 HydrophobicContact CG1-CG1 3.62Å; V196-V204 HydrophobicContact CG2-CG1 3.87Å; E198-V204 CarbonylContact O-C 3.59Å; I199-V204 HydrophobicContact CG1-CG1 4.33Å; I199-V204 HydrophobicContact CG2-CG2 4.47Å; V204-T206 HydrophobicContact CG1-CG2 4.01Å |
| 205 | D | 98.1 | Very high | 96 | Very high | 30 Ų | 30 | 42.8 Ų | 42.8 | 16% | 0.16 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.5 | 173.6 | -81.1 | -24.7 | 0 | 0 | 0 | 110.2 | R152 V197 E198 W203 | R152-D205 WeakPolarHBondContact CB-OD1 3.3Å; R152-D205 WeakPolarHBondContact CG-OD1 3.39Å; R152-D205 IonicContact CZ-OD1 2.66Å; R152-D205 IonicContact CZ-OD2 2.78Å; R152-D205 IonicContact NE-OD1 2.58Å; R152-D205 PolarHBondContact NE-OD1 3.33Å; R152-D205 IonicContact NE-OD2 3.96Å; R152-D205 IonicContact NH2-OD1 2.63Å; R152-D205 PolarHBondContact NH2-OD1 2.58Å; R152-D205 IonicContact NH2-OD2 3.92Å; R152-D205 PolarHBondContact NH2-OD2 3.48Å; V197-D205 PolarHBondContact N-O 3.26Å; E198-D205 HydrophobicContact CB-CB 4.24Å; E198-D205 PolarHBondContact N-O 3Å; E198-D205 PolarHBondContact O-N 3.38Å; W203-D205 HydrophobicContact CE3-CB 4.28Å; W203-D205 HydrophobicContact CZ3-CB 3.84Å; W203-D205 WeakPolarHBondContact CZ3-OD2 3.45Å |
| 206 | T | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 162.5 | -174.3 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | H150 V151 V153 I185 L194 K195 V204 | H150-T206 WeakPolarHBondContact CA-O 3.48Å; V151-T206 PolarHBondContact N-O 2.82Å; V151-T206 WeakPolarHBondContact O-CA 3.3Å; V151-T206 PolarHBondContact O-N 3.5Å; V151-T206 PolarHBondContact O-OG1 2.83Å; V153-T206 HydrophobicContact CG2-CG2 4.04Å; I185-T206 HydrophobicContact CD1-CG2 4.18Å; L194-T206 HydrophobicContact CB-CG2 4.11Å; K195-T206 CarbonylContact O-C 3.52Å; K195-T206 WeakPolarHBondContact O-CA 3.2Å; K195-T206 WeakPolarHBondContact O-CB 3.34Å; V204-T206 HydrophobicContact CG1-CG2 4.01Å |
| 207 | V | 98.1 | Very high | 95.3 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.8 | 166 | 170.6 | 0 | 0 | 0 | 0 | 108.7 | S149 H150 K195 V197 E209 | S149-V207 WeakPolarHBondContact O-CA 3.46Å; H150-V207 VanDerWaalsContact CE1-CG2 3.47Å; H150-V207 WeakPolarHBondContact CE1-CG2 3.29Å; K195-V207 PolarHBondContact N-O 3.41Å; K195-V207 PolarHBondContact O-N 3.29Å; V197-V207 HydrophobicContact CG2-CB 4.26Å; V197-V207 HydrophobicContact CG2-CG2 3.72Å; V207-E209 PolarHBondContact O-N 2.76Å |
| 208 | V | 98.2 | Very high | 95 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 111.8 | 178.1 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | L145 A146 G148 S149 V151 L194 A210 | L145-V208 HydrophobicContact CB-CG1 4.26Å; L145-V208 HydrophobicContact CB-CG2 4.23Å; A146-V208 WeakPolarHBondContact O-CB 3.33Å; G148-V208 PolarHBondContact N-O 3.36Å; S149-V208 PolarHBondContact O-N 3.43Å; S149-V208 WeakPolarHBondContact OG-CG2 3.46Å; V151-V208 HydrophobicContact CG2-CG2 3.63Å; L194-V208 HydrophobicContact CD2-CB 4.34Å; L194-V208 HydrophobicContact CD2-CG2 3.8Å; V208-A210 WeakPolarHBondContact CG1-O 3.47Å |
| 209 | E | 96.6 | Very high | 94.6 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -43.3 | 173 | -75.9 | -167.1 | 151.3 | 0 | 0 | 111.3 | K147 R184 A193 K195 V207 | K147-E209 VanDerWaalsContact CE-O 3.29Å; K147-E209 WeakPolarHBondContact CE-O 3.43Å; R184-E209 IonicContact CZ-OE2 3.63Å; R184-E209 IonicContact NE-OE2 2.74Å; R184-E209 PolarHBondContact NE-OE2 2.89Å; R184-E209 IonicContact NH2-OE2 2.76Å; A193-E209 HydrophobicContact CB-CB 4.44Å; A193-E209 PolarHBondContact O-N 3.44Å; K195-E209 HydrophobicContact CB-CG 3.79Å; K195-E209 WeakPolarHBondContact CD-OE1 3.48Å; K195-E209 IonicContact NZ-OE1 3.99Å; K195-E209 PolarHBondContact NZ-OE1 3.21Å; V207-E209 PolarHBondContact O-N 2.76Å |
| 210 | A | 95.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 31% | 0.314 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109 | A193 V208 | A193-A210 HydrophobicContact CB-CB 3.84Å; A193-A210 PolarHBondContact N-O 3.12Å; A193-A210 VanDerWaalsContact N-O 3.08Å; A193-A210 PolarHBondContact O-N 2.83Å; A193-A210 VanDerWaalsContact O-N 3.14Å; V208-A210 WeakPolarHBondContact CG1-O 3.47Å |
| 211 | G | 95.3 | Very high | 94.3 | Very high | 35 Ų | 35 | 39 Ų | 39 | 36% | 0.361 | 23% | 0.225 | S | C | . | . | trans | -92.9 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L145 | L145-G211 CarbonylContact O-C 3.54Å; L145-G211 WeakPolarHBondContact O-CA 3.44Å | ||
| 212 | G | 95.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 27% | 0.268 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -168.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L145 | L145-G212 PolarHBondContact N-O 2.81Å; L145-G212 PolarHBondContact O-N 3.45Å |
| 213 | I | 95.4 | Very high | 94.3 | Very high | 74 Ų | 74 | 30.9 Ų | 30.9 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 121.3 | -179.6 | -56.8 | -57.9 | 0 | 0 | 0 | 109.8 | E142 E144 | E142-I213 HydrophobicContact CB-CG2 3.71Å; E142-I213 HydrophobicContact CG-CG2 4.05Å; E142-I213 WeakPolarHBondContact OE2-CG2 3.34Å; E144-I213 HydrophobicContact CB-CD1 3.95Å; E144-I213 HydrophobicContact CG-CD1 4.15Å |
| 214 | L | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.2 | 169.8 | 176.8 | 62.3 | 0 | 0 | 0 | 109.4 | E142 V143 L145 T163 I168 I187 L192 K218 | E142-L214 WeakPolarHBondContact CA-O 3.28Å; V143-L214 HydrophobicContact CG1-CB 4.03Å; V143-L214 HydrophobicContact CG1-CD2 4.34Å; V143-L214 HydrophobicContact CG1-CG 4.47Å; V143-L214 PolarHBondContact N-O 2.8Å; V143-L214 PolarHBondContact O-N 2.82Å; L145-L214 HydrophobicContact CD1-CB 4.33Å; L145-L214 HydrophobicContact CD1-CD2 4.36Å; L145-L214 HydrophobicContact CG-CB 4.32Å; T163-L214 HydrophobicContact CG2-CD2 3.77Å; I168-L214 HydrophobicContact CD1-CD2 3.78Å; I168-L214 HydrophobicContact CG1-CD2 3.96Å; I168-L214 HydrophobicContact CG2-CD2 4.47Å; I187-L214 HydrophobicContact CG2-CD1 3.64Å; L192-L214 HydrophobicContact CD1-CB 3.88Å; L192-L214 HydrophobicContact CD1-CD1 3.93Å; L192-L214 HydrophobicContact CD1-CG 4.48Å; L214-K218 HydrophobicContact CD1-CB 4.21Å; L214-K218 HydrophobicContact CD1-CG 4.01Å |
| 215 | C | 93.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 179.1 | 168.1 | -38.6 | 0 | 0 | 0 | 0 | 111.1 | K218 | C215-K218 WeakPolarHBondContact O-CG 3.35Å |
| 216 | S | 92.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 148.2 | 178.8 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | L134 V135 K138 V139 K218 | L134-S216 WeakPolarHBondContact CA-OG 3.36Å; V135-S216 PolarHBondContact N-OG 3.41Å; K138-S216 PolarHBondContact O-OG 2.9Å; V139-S216 PolarHBondContact O-OG 3.48Å; S216-K218 VanDerWaalsContact C-N 3.32Å; S216-K218 PolarHBondContact O-N 3.11Å |
| 217 | R | 89.6 | Confident | 91.7 | Very high | 144 Ų | 144 | 36.9 Ų | 36.9 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 34.6 | 168.8 | -57.3 | -179.1 | 178.7 | 178.2 | 0.1 | 115.4 | R131 S132 G133 L134 | R131-R217 PolarHBondContact NH1-O 3.01Å; R131-R217 VanDerWaalsContact NH1-O 3.07Å; S132-R217 VanDerWaalsContact O-CA 3.3Å; S132-R217 WeakPolarHBondContact O-CA 2.94Å; S132-R217 PolarHBondContact OG-N 3.23Å; G133-R217 PolarHBondContact O-N 3.46Å; L134-R217 HydrophobicContact CD2-CG 4.1Å |
| 218 | K | 90.4 | Very high | 91.1 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | trans | -77.5 | 145.5 | 177.7 | -62.2 | -54.3 | -166.6 | 129.3 | 0 | 111.1 | R131 S132 I187 D188 L214 C215 S216 | R131-K218 CarbonylContact C-O 3.42Å; R131-K218 VanDerWaalsContact CA-O 3.27Å; R131-K218 WeakPolarHBondContact CA-O 3.46Å; S132-K218 PolarHBondContact N-O 3.37Å; S132-K218 PolarHBondContact OG-N 3.39Å; I187-K218 HydrophobicContact CG2-CB 3.82Å; D188-K218 HydrophobicContact CB-CB 4.12Å; D188-K218 HydrophobicContact CB-CD 4.29Å; D188-K218 HydrophobicContact CB-CG 4.1Å; D188-K218 VanDerWaalsContact OD1-CD 3.32Å; D188-K218 WeakPolarHBondContact OD1-CD 3.5Å; D188-K218 IonicContact OD1-NZ 2.83Å; D188-K218 PolarHBondContact OD1-NZ 3.29Å; D188-K218 IonicContact OD2-NZ 3.29Å; D188-K218 PolarHBondContact OD2-NZ 3.07Å; L214-K218 HydrophobicContact CD1-CB 4.21Å; L214-K218 HydrophobicContact CD1-CG 4.01Å; C215-K218 WeakPolarHBondContact O-CG 3.35Å; S216-K218 VanDerWaalsContact C-N 3.32Å; S216-K218 PolarHBondContact O-N 3.11Å | ||
| 219 | G | 90.7 | Very high | 90.2 | Very high | 21 Ų | 21 | 42.6 Ų | 42.6 | 22% | 0.216 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 143.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | I130 I187 D188 | I130-G219 CarbonylContact O-C 3.6Å; I130-G219 WeakPolarHBondContact O-CA 3.37Å; I187-G219 WeakPolarHBondContact CA-O 3.13Å; D188-G219 PolarHBondContact N-O 3.16Å |
| 220 | V | 93.5 | Very high | 89.6 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.2 | 177.9 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | I130 V170 I185 Y186 I187 L222 | I130-V220 HydrophobicContact CB-CB 4.07Å; I130-V220 HydrophobicContact CG2-CB 3.82Å; I130-V220 HydrophobicContact CG2-CG1 4.26Å; I130-V220 HydrophobicContact CG2-CG2 4.41Å; I130-V220 PolarHBondContact O-N 3.17Å; V170-V220 HydrophobicContact CG1-CG2 3.96Å; I185-V220 HydrophobicContact CG2-CG1 3.56Å; Y186-V220 CarbonylContact O-C 3.5Å; Y186-V220 VanDerWaalsContact O-CA 3.29Å; Y186-V220 WeakPolarHBondContact O-CA 3.45Å; I187-V220 HydrophobicContact CG1-CG2 4.3Å; I187-V220 HydrophobicContact CG2-CG2 4.48Å; V220-L222 HydrophobicContact CG1-CD2 4.24Å |
| 221 | N | 92.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.043 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 144.2 | 178.9 | -58.3 | 82.4 | 0 | 0 | 0 | 109.4 | Y186 P223 D308 I311 E312 | Y186-N221 PolarHBondContact N-O 3.07Å; Y186-N221 PolarHBondContact O-N 3.49Å; N221-P223 VanDerWaalsContact C-CD 3.48Å; N221-P223 WeakPolarHBondContact O-CD 3.37Å; N221-D308 PolarHBondContact ND2-OD1 3.25Å; N221-I311 HydrophobicContact CB-CB 4.45Å; N221-I311 HydrophobicContact CB-CG2 3.55Å; N221-E312 WeakPolarHBondContact CB-OE1 3.45Å |
| 222 | L | 92.3 | Very high | 88.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -127.2 | 68.4 | -175.1 | -56.9 | 174.7 | 0 | 0 | 0 | 109.8 | I130 Y172 L175 V178 L179 I185 V220 S224 C225 L227 E312 | I130-L222 HydrophobicContact CD1-CD1 3.56Å; I130-L222 HydrophobicContact CD1-CG 4.16Å; Y172-L222 HydrophobicContact CD1-CD1 3.95Å; Y172-L222 HydrophobicContact CE1-CD1 4Å; L175-L222 HydrophobicContact CD1-CD1 3.45Å; L175-L222 VanDerWaalsContact CD1-CD1 3.45Å; L175-L222 HydrophobicContact CD1-CD2 3.6Å; L175-L222 HydrophobicContact CD1-CG 4.18Å; V178-L222 HydrophobicContact CG2-CD1 4.34Å; L179-L222 HydrophobicContact CD2-CD2 4.29Å; I185-L222 HydrophobicContact CB-CD2 4.2Å; I185-L222 HydrophobicContact CG1-CD2 3.84Å; I185-L222 HydrophobicContact CG2-CD2 3.87Å; V220-L222 HydrophobicContact CG1-CD2 4.24Å; L222-S224 PolarHBondContact O-N 2.82Å; L222-C225 HydrophobicContact CB-CB 4.17Å; L222-C225 VanDerWaalsContact O-CB 3.32Å; L222-C225 WeakPolarHBondContact O-CB 3.36Å; L222-C225 PolarHBondContact O-N 3.18Å; L222-L227 HydrophobicContact CB-CD2 4.17Å; L222-L227 HydrophobicContact CD1-CD2 3.76Å; L222-E312 PolarHBondContact N-OE1 2.76Å | ||
| 223 | P | 86.9 | Confident | 88.5 | Confident | 19 Ų | 19 | 45.9 Ų | 45.9 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 141 | -172 | -26.5 | 37.6 | 0 | 0 | 0 | 111.8 | Y186 N221 C225 I311 | Y186-P223 HydrophobicContact CD2-CG 3.53Å; Y186-P223 HydrophobicContact CE2-CG 3.75Å; N221-P223 VanDerWaalsContact C-CD 3.48Å; N221-P223 WeakPolarHBondContact O-CD 3.37Å; P223-C225 PolarHBondContact O-N 2.9Å; P223-I311 WeakPolarHBondContact CG-O 3.48Å |
| 224 | S | 81.9 | Confident | 88.3 | Confident | 59 Ų | 59 | 44.2 Ų | 44.2 | 41% | 0.413 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 27.3 | -179.6 | -50.1 | 0 | 0 | 0 | 0 | 114.6 | K183 L222 R286 | K183-S224 PolarHBondContact NZ-O 2.87Å; L222-S224 PolarHBondContact O-N 2.82Å; S224-R286 PolarHBondContact OG-NH1 2.93Å |
| 225 | C | 85.6 | Confident | 88.2 | Confident | 10 Ų | 10 | 48.1 Ų | 48.1 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | trans | -111.2 | 134.5 | 166.3 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | V178 L222 P223 L227 | V178-C225 HydrophobicContact CB-CB 4.29Å; V178-C225 HydrophobicContact CG2-CB 4.22Å; L222-C225 HydrophobicContact CB-CB 4.17Å; L222-C225 VanDerWaalsContact O-CB 3.32Å; L222-C225 WeakPolarHBondContact O-CB 3.36Å; L222-C225 PolarHBondContact O-N 3.18Å; P223-C225 PolarHBondContact O-N 2.9Å; C225-L227 HydrophobicContact CB-CD2 4.4Å; C225-L227 PolarHBondContact O-N 3.14Å | ||
| 226 | D | 82.9 | Confident | 88.1 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | trans | -82.3 | 102 | 171.3 | -66.1 | -35.8 | 0 | 0 | 0 | 107.7 | V178 I228 | V178-D226 WeakPolarHBondContact CG1-O 3.45Å; D226-I228 PolarHBondContact O-N 3.26Å | ||
| 227 | L | 84.5 | Confident | 88.2 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | trans | -70.3 | 129.8 | -175.9 | -59.9 | -180 | 0 | 0 | 0 | 110.5 | I130 Y172 V178 L222 C225 L230 R258 | I130-L227 HydrophobicContact CD1-CD1 4.44Å; I130-L227 HydrophobicContact CD1-CD2 4.36Å; Y172-L227 HydrophobicContact CE1-CD2 4.05Å; V178-L227 HydrophobicContact CG2-CD2 4.3Å; L222-L227 HydrophobicContact CB-CD2 4.17Å; L222-L227 HydrophobicContact CD1-CD2 3.76Å; C225-L227 HydrophobicContact CB-CD2 4.4Å; C225-L227 PolarHBondContact O-N 3.14Å; L227-L230 HydrophobicContact CB-CD1 4.16Å; L227-L230 HydrophobicContact CD1-CD1 3.96Å; L227-R258 VanDerWaalsContact CB-NH1 3.32Å | ||
| 228 | I | 84.3 | Confident | 88.5 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | trans | -119.4 | 143.1 | -175.9 | 63.3 | 177.9 | 0 | 0 | 0 | 111.5 | Y172 N174 K177 V178 D226 L230 | Y172-I228 WeakPolarHBondContact CE2-O 3.26Å; Y172-I228 PolarHBondContact OH-N 2.74Å; Y172-I228 PolarHBondContact OH-O 3.2Å; N174-I228 HydrophobicContact CB-CG1 4.08Å; N174-I228 PolarHBondContact ND2-O 2.83Å; K177-I228 HydrophobicContact CB-CD1 4.47Å; V178-I228 HydrophobicContact CG1-CD1 4.12Å; V178-I228 HydrophobicContact CG1-CG1 3.73Å; D226-I228 PolarHBondContact O-N 3.26Å; I228-L230 PolarHBondContact O-N 3.09Å | ||
| 229 | G | 80.7 | Confident | 88.9 | Confident | 72 Ų | 72 | 47.1 Ų | 47.1 | 74% | 0.742 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 72.3 | 6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 230 | L | 83.4 | Confident | 89.2 | Confident | 47 Ų | 47 | 46.3 Ų | 46.3 | 25% | 0.246 | 28% | 0.282 | C | S | . | . | trans | -82.3 | 117.4 | 166.3 | -73.3 | 177.6 | 0 | 0 | 0 | 108.9 | P128 I130 Y172 L227 I228 | P128-L230 HydrophobicContact CB-CB 4.05Å; P128-L230 HydrophobicContact CB-CD1 4.46Å; P128-L230 HydrophobicContact CB-CD2 4.43Å; I130-L230 HydrophobicContact CD1-CD1 4.33Å; I130-L230 HydrophobicContact CG1-CD1 4.2Å; Y172-L230 HydrophobicContact CD2-CD1 4.17Å; Y172-L230 HydrophobicContact CD2-CD2 3.73Å; Y172-L230 HydrophobicContact CD2-CG 3.89Å; Y172-L230 HydrophobicContact CE2-CD1 4Å; Y172-L230 HydrophobicContact CE2-CD2 3.99Å; Y172-L230 HydrophobicContact CE2-CG 3.64Å; L227-L230 HydrophobicContact CB-CD1 4.16Å; L227-L230 HydrophobicContact CD1-CD1 3.96Å; I228-L230 PolarHBondContact O-N 3.09Å | ||
| 231 | Q | 85.6 | Confident | 89.5 | Confident | 143 Ų | 143 | 46 Ų | 46 | 67% | 0.668 | 28% | 0.28 | S | S | * | . | trans | -75 | 132.1 | 173.6 | -65.2 | 179.3 | -38.2 | 0 | 0 | 109.2 | P128 V233 | P128-Q231 WeakPolarHBondContact CB-O 3.27Å; Q231-V233 PolarHBondContact O-N 3.11Å | ||
| 232 | A | 85.9 | Confident | 89.7 | Confident | 12 Ų | 12 | 51 Ų | 51 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -62.8 | -27.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | D262 | A232-D262 HydrophobicContact CB-CB 3.45Å; A232-D262 VanDerWaalsContact CB-CB 3.45Å |
| 233 | V | 93 | Very high | 90 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -120 | 105.4 | 174.7 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | Q231 D237 E238 L241 D265 V266 A269 | Q231-V233 PolarHBondContact O-N 3.11Å; V233-D237 HydrophobicContact CG1-CB 3.89Å; V233-E238 HydrophobicContact CG1-CB 4.18Å; V233-L241 HydrophobicContact CG1-CD1 4.15Å; V233-D265 HydrophobicContact CG2-CB 4.15Å; V233-V266 HydrophobicContact CG2-CB 4.41Å; V233-V266 HydrophobicContact CG2-CG2 3.67Å; V233-A269 HydrophobicContact CG1-CB 4.07Å |
| 234 | S | 91.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 51 Ų | 51 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -75.4 | 170.8 | 171.2 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | Q236 D237 E238 | S234-Q236 PolarHBondContact O-N 3.12Å; S234-Q236 PolarHBondContact OG-N 3.48Å; S234-D237 VanDerWaalsContact CB-OD2 3.29Å; S234-D237 WeakPolarHBondContact CB-OD2 3.08Å; S234-D237 PolarHBondContact N-OD2 2.76Å; S234-D237 PolarHBondContact O-N 2.84Å; S234-D237 VanDerWaalsContact O-N 3.15Å; S234-D237 VanDerWaalsContact OG-CG 3.28Å; S234-D237 PolarHBondContact OG-N 2.9Å; S234-D237 VanDerWaalsContact OG-N 3.11Å; S234-D237 PolarHBondContact OG-OD2 2.63Å; S234-E238 PolarHBondContact O-N 2.63Å | ||
| 235 | A | 92 | Very high | 91.4 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 68% | 0.678 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.4 | -32.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A239 | A235-A239 PolarHBondContact O-N 3.5Å; A235-A239 VanDerWaalsContact O-N 3.16Å |
| 236 | Q | 90.8 | Very high | 92 | Very high | 104 Ų | 104 | 53.6 Ų | 53.6 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69 | -47 | 173.8 | -177.9 | 62.7 | 43.5 | 0 | 0 | 110.6 | S234 E238 A239 D240 | S234-Q236 PolarHBondContact O-N 3.12Å; S234-Q236 PolarHBondContact OG-N 3.48Å; Q236-E238 VanDerWaalsContact C-N 3.26Å; Q236-E238 PolarHBondContact O-N 3.07Å; Q236-A239 WeakPolarHBondContact O-CB 3.49Å; Q236-A239 PolarHBondContact O-N 3.06Å; Q236-A239 VanDerWaalsContact O-N 3.08Å; Q236-D240 PolarHBondContact NE2-OD1 2.83Å; Q236-D240 PolarHBondContact O-N 2.76Å |
| 237 | D | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.011 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 177.5 | -60.8 | -59.8 | 0 | 0 | 0 | 110.9 | K126 G127 V233 S234 A239 D240 L241 | K126-D237 PolarHBondContact N-OD1 3.02Å; G127-D237 PolarHBondContact N-OD1 2.61Å; V233-D237 HydrophobicContact CG1-CB 3.89Å; S234-D237 VanDerWaalsContact CB-OD2 3.29Å; S234-D237 WeakPolarHBondContact CB-OD2 3.08Å; S234-D237 PolarHBondContact N-OD2 2.76Å; S234-D237 PolarHBondContact O-N 2.84Å; S234-D237 VanDerWaalsContact O-N 3.15Å; S234-D237 VanDerWaalsContact OG-CG 3.28Å; S234-D237 PolarHBondContact OG-N 2.9Å; S234-D237 VanDerWaalsContact OG-N 3.11Å; S234-D237 PolarHBondContact OG-OD2 2.63Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 3.4Å; D237-D240 PolarHBondContact O-N 2.81Å; D237-L241 WeakPolarHBondContact O-CB 3.22Å; D237-L241 WeakPolarHBondContact O-CG 3.45Å; D237-L241 PolarHBondContact O-N 2.96Å |
| 238 | E | 96.3 | Very high | 93.3 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.4 | -167.8 | -176.6 | 163.9 | 0 | 0 | 111.9 | V233 S234 Q236 K242 A269 | V233-E238 HydrophobicContact CG1-CB 4.18Å; S234-E238 PolarHBondContact O-N 2.63Å; Q236-E238 VanDerWaalsContact C-N 3.26Å; Q236-E238 PolarHBondContact O-N 3.07Å; E238-K242 HydrophobicContact CG-CD 4.47Å; E238-K242 WeakPolarHBondContact O-CB 3.27Å; E238-K242 VanDerWaalsContact O-CG 3.29Å; E238-K242 WeakPolarHBondContact O-CG 3.45Å; E238-K242 PolarHBondContact O-N 3.01Å; E238-K242 VanDerWaalsContact OE1-CE 3.28Å; E238-K242 WeakPolarHBondContact OE1-CE 3.44Å; E238-K242 IonicContact OE1-NZ 3.98Å; E238-K242 PolarHBondContact OE1-NZ 3.49Å; E238-A269 HydrophobicContact CG-CB 4.36Å |
| 239 | A | 97.3 | Very high | 94 | Very high | 41 Ų | 41 | 46.6 Ų | 46.6 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.4 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A235 Q236 D237 K242 F243 | A235-A239 PolarHBondContact O-N 3.5Å; A235-A239 VanDerWaalsContact O-N 3.16Å; Q236-A239 WeakPolarHBondContact O-CB 3.49Å; Q236-A239 PolarHBondContact O-N 3.06Å; Q236-A239 VanDerWaalsContact O-N 3.08Å; D237-A239 VanDerWaalsContact C-N 3.33Å; D237-A239 PolarHBondContact O-N 3.4Å; A239-K242 PolarHBondContact O-N 3.19Å; A239-F243 WeakPolarHBondContact O-CB 3.46Å; A239-F243 PolarHBondContact O-N 2.6Å |
| 240 | D | 98 | Very high | 94.9 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 177.8 | -64.2 | -16.7 | 0 | 0 | 0 | 111.5 | F87 H92 L123 Q236 D237 F243 G244 | F87-D240 HydrophobicContact CD1-CB 3.66Å; F87-D240 VanDerWaalsContact CD1-CG 3.48Å; F87-D240 HydrophobicContact CE1-CB 4.07Å; H92-D240 IonicContact CD2-OD1 2.77Å; H92-D240 IonicContact CE1-OD1 2.77Å; H92-D240 IonicContact NE2-OD1 3Å; H92-D240 PolarHBondContact NE2-OD1 2.88Å; L123-D240 VanDerWaalsContact CD1-O 3.28Å; L123-D240 WeakPolarHBondContact CD1-O 3.32Å; Q236-D240 PolarHBondContact NE2-OD1 2.83Å; Q236-D240 PolarHBondContact O-N 2.76Å; D237-D240 PolarHBondContact O-N 2.81Å; D240-F243 WeakPolarHBondContact O-CB 3.42Å; D240-F243 PolarHBondContact O-N 2.87Å; D240-G244 PolarHBondContact O-N 2.83Å |
| 241 | L | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 176.3 | -70.3 | 171.2 | 0 | 0 | 0 | 111.4 | L123 T125 V233 D237 F243 G244 V245 V252 V266 A269 L270 | L123-L241 HydrophobicContact CD2-CD2 4.42Å; T125-L241 HydrophobicContact CG2-CD2 4.05Å; T125-L241 HydrophobicContact CG2-CG 4.5Å; V233-L241 HydrophobicContact CG1-CD1 4.15Å; D237-L241 WeakPolarHBondContact O-CB 3.22Å; D237-L241 WeakPolarHBondContact O-CG 3.45Å; D237-L241 PolarHBondContact O-N 2.96Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 2.92Å; L241-G244 PolarHBondContact O-N 3.33Å; L241-V245 WeakPolarHBondContact O-CG2 3.47Å; L241-V245 PolarHBondContact O-N 3.29Å; L241-V252 HydrophobicContact CD2-CB 4.43Å; L241-V252 HydrophobicContact CD2-CG1 3.76Å; L241-V252 HydrophobicContact CD2-CG2 3.76Å; L241-V266 HydrophobicContact CD1-CG1 4.31Å; L241-V266 HydrophobicContact CD2-CG1 4.43Å; L241-A269 HydrophobicContact CD1-CB 3.64Å; L241-L270 HydrophobicContact CB-CD2 4.19Å; L241-L270 HydrophobicContact CD2-CD2 3.93Å; L241-L270 HydrophobicContact CD2-CG 4.41Å |
| 242 | K | 98.3 | Very high | 96.3 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 173.6 | -74.6 | 170.7 | -174 | 165.7 | 0 | 111.8 | E238 A239 V245 S246 | E238-K242 HydrophobicContact CG-CD 4.47Å; E238-K242 WeakPolarHBondContact O-CB 3.27Å; E238-K242 VanDerWaalsContact O-CG 3.29Å; E238-K242 WeakPolarHBondContact O-CG 3.45Å; E238-K242 PolarHBondContact O-N 3.01Å; E238-K242 VanDerWaalsContact OE1-CE 3.28Å; E238-K242 WeakPolarHBondContact OE1-CE 3.44Å; E238-K242 IonicContact OE1-NZ 3.98Å; E238-K242 PolarHBondContact OE1-NZ 3.49Å; A239-K242 PolarHBondContact O-N 3.19Å; K242-V245 PolarHBondContact O-N 3.07Å; K242-S246 PolarHBondContact O-N 3.19Å |
| 243 | F | 98.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 172.1 | 171.2 | -84.1 | 0 | 0 | 0 | 111.6 | F87 H92 H95 I99 A239 D240 L241 V245 S246 H247 | F87-F243 AromaticContact CE1-CD1 3.78Å; F87-F243 HydrophobicContact CE1-CD1 3.78Å; F87-F243 HydrophobicContact CE1-CE1 4.15Å; F87-F243 AromaticContact CZ-CD1 3.66Å; F87-F243 HydrophobicContact CZ-CD1 3.66Å; F87-F243 AromaticContact CZ-CE1 3.7Å; F87-F243 HydrophobicContact CZ-CE1 3.7Å; H92-F243 HydrophobicContact CB-CD2 3.7Å; H92-F243 HydrophobicContact CB-CE2 3.63Å; H92-F243 HydrophobicContact CB-CG 4.48Å; H92-F243 HydrophobicContact CB-CZ 4.4Å; H92-F243 AromaticContact CG-CD2 3.58Å; H92-F243 AromaticContact CG-CG 3.97Å; H92-F243 AromaticContact ND1-CD2 3.56Å; H92-F243 AromaticContact ND1-CG 3.89Å; H92-F243 WeakPolarHBondContact O-CE2 3.15Å; H92-F243 VanDerWaalsContact O-CZ 3.32Å; H92-F243 WeakPolarHBondContact O-CZ 3.32Å; H95-F243 HydrophobicContact CB-CE1 4.12Å; H95-F243 HydrophobicContact CB-CZ 4.17Å; I99-F243 HydrophobicContact CD1-CE1 3.98Å; I99-F243 HydrophobicContact CD1-CZ 4.37Å; A239-F243 WeakPolarHBondContact O-CB 3.46Å; A239-F243 PolarHBondContact O-N 2.6Å; D240-F243 WeakPolarHBondContact O-CB 3.42Å; D240-F243 PolarHBondContact O-N 2.87Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 2.92Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 3.31Å; F243-S246 PolarHBondContact O-N 3.33Å; F243-S246 PolarHBondContact O-OG 2.66Å; F243-H247 AromaticContact CD2-CE1 3.54Å; F243-H247 AromaticContact CD2-ND1 3.7Å; F243-H247 AromaticContact CE1-ND1 3.85Å; F243-H247 AromaticContact CE2-CE1 3.05Å; F243-H247 WeakPolarHBondContact CE2-CE1 3.29Å; F243-H247 AromaticContact CE2-ND1 3.51Å; F243-H247 AromaticContact CE2-NE2 3.66Å; F243-H247 AromaticContact CG-ND1 3.97Å; F243-H247 AromaticContact CZ-CE1 3.4Å; F243-H247 WeakPolarHBondContact CZ-CE1 3.34Å; F243-H247 AromaticContact CZ-CG 3.96Å; F243-H247 AromaticContact CZ-ND1 3.57Å; F243-H247 AromaticContact CZ-NE2 3.67Å; F243-H247 PolarHBondContact O-N 2.91Å; F243-H247 PolarHBondContact O-ND1 2.92Å |
| 244 | G | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D240 L241 H247 G248 V249 | D240-G244 PolarHBondContact O-N 2.83Å; L241-G244 PolarHBondContact O-N 3.33Å; G244-H247 CarbonylContact O-C 3.56Å; G244-H247 PolarHBondContact O-N 2.92Å; G244-G248 PolarHBondContact O-N 2.92Å; G244-V249 WeakPolarHBondContact O-CG2 3.14Å; G244-V249 PolarHBondContact O-N 3.38Å |
| 245 | V | 98.5 | Very high | 97.4 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 21% | 0.206 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | L241 K242 F243 H247 G248 L270 H273 I277 | L241-V245 WeakPolarHBondContact O-CG2 3.47Å; L241-V245 PolarHBondContact O-N 3.29Å; K242-V245 PolarHBondContact O-N 3.07Å; F243-V245 VanDerWaalsContact C-N 3.34Å; F243-V245 PolarHBondContact O-N 3.31Å; V245-H247 PolarHBondContact O-N 3.4Å; V245-G248 PolarHBondContact O-N 2.87Å; V245-L270 HydrophobicContact CG2-CD2 3.67Å; V245-H273 HydrophobicContact CG1-CB 3.78Å; V245-I277 HydrophobicContact CG2-CD1 3.91Å |
| 246 | S | 98.3 | Very high | 97.5 | Very high | 89 Ų | 89 | 27.7 Ų | 27.7 | 62% | 0.622 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -65.4 | -29.7 | -179.8 | 72.2 | 0 | 0 | 0 | 0 | 112.8 | K242 F243 | K242-S246 PolarHBondContact O-N 3.19Å; F243-S246 PolarHBondContact O-N 3.33Å; F243-S246 PolarHBondContact O-OG 2.66Å |
| 247 | H | 98.5 | Very high | 97.7 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 20% | 0.199 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -87.1 | -6.1 | 174.5 | -71.6 | 70.9 | 0 | 0 | 0 | 113.2 | S96 I99 R103 F243 G244 V245 | S96-H247 PolarHBondContact OG-NE2 2.77Å; I99-H247 HydrophobicContact CD1-CB 3.79Å; R103-H247 PolarHBondContact NH1-O 2.97Å; R103-H247 PolarHBondContact NH2-O 2.98Å; F243-H247 AromaticContact CD2-CE1 3.54Å; F243-H247 AromaticContact CD2-ND1 3.7Å; F243-H247 AromaticContact CE1-ND1 3.85Å; F243-H247 AromaticContact CE2-CE1 3.05Å; F243-H247 WeakPolarHBondContact CE2-CE1 3.29Å; F243-H247 AromaticContact CE2-ND1 3.51Å; F243-H247 AromaticContact CE2-NE2 3.66Å; F243-H247 AromaticContact CG-ND1 3.97Å; F243-H247 AromaticContact CZ-CE1 3.4Å; F243-H247 WeakPolarHBondContact CZ-CE1 3.34Å; F243-H247 AromaticContact CZ-CG 3.96Å; F243-H247 AromaticContact CZ-ND1 3.57Å; F243-H247 AromaticContact CZ-NE2 3.67Å; F243-H247 PolarHBondContact O-N 2.91Å; F243-H247 PolarHBondContact O-ND1 2.92Å; G244-H247 CarbonylContact O-C 3.56Å; G244-H247 PolarHBondContact O-N 2.92Å; V245-H247 PolarHBondContact O-N 3.4Å |
| 248 | G | 97.9 | Very high | 97.7 | Very high | 29 Ų | 29 | 23.4 Ų | 23.4 | 30% | 0.299 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 45.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R103 G244 V245 | R103-G248 PolarHBondContact NH2-O 3.46Å; G244-G248 PolarHBondContact O-N 2.92Å; V245-G248 PolarHBondContact O-N 2.87Å |
| 249 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | trans | -62.3 | 154.3 | 168.8 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | I99 I121 L123 G244 I277 | I99-V249 HydrophobicContact CD1-CG1 4.32Å; I121-V249 HydrophobicContact CG2-CB 4.47Å; I121-V249 HydrophobicContact CG2-CG1 4.05Å; L123-V249 HydrophobicContact CB-CG2 4.27Å; G244-V249 WeakPolarHBondContact O-CG2 3.14Å; G244-V249 PolarHBondContact O-N 3.38Å; V249-I277 HydrophobicContact CG2-CD1 4.04Å; V249-I277 WeakPolarHBondContact O-CG1 3.37Å | ||
| 250 | D | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -93.6 | -30.8 | -173.2 | -57.6 | -66.3 | 0 | 0 | 0 | 112 | A120 I121 K278 R473 Q474 | A120-D250 WeakPolarHBondContact CA-OD2 3.37Å; A120-D250 HydrophobicContact CB-CB 4.18Å; I121-D250 PolarHBondContact N-OD2 3.3Å; I121-D250 PolarHBondContact O-N 3.4Å; D250-K278 PolarHBondContact O-N 3.45Å; D250-K278 VanDerWaalsContact O-N 3.11Å; D250-R473 HydrophobicContact CB-CB 4.5Å; D250-R473 VanDerWaalsContact CG-NE 3.25Å; D250-R473 IonicContact OD1-CZ 3.04Å; D250-R473 IonicContact OD1-NE 3.01Å; D250-R473 PolarHBondContact OD1-NE 3.06Å; D250-R473 IonicContact OD1-NH2 3.17Å; D250-R473 PolarHBondContact OD1-NH2 3.44Å; D250-R473 VanDerWaalsContact OD2-CD 3.32Å; D250-R473 WeakPolarHBondContact OD2-CD 3.38Å; D250-R473 IonicContact OD2-NE 3.21Å; D250-R473 PolarHBondContact OD2-NE 3.31Å; D250-Q474 HydrophobicContact CB-CG 3.98Å; D250-Q474 PolarHBondContact O-NE2 3.46Å |
| 251 | I | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 144.7 | -169.2 | -51 | 162.2 | 0 | 0 | 0 | 109.7 | I82 A120 I121 A122 L123 F253 K278 I280 L477 | I82-I251 HydrophobicContact CD1-CD1 3.95Å; I82-I251 HydrophobicContact CG2-CD1 4.16Å; A120-I251 HydrophobicContact CB-CD1 3.95Å; I121-I251 PolarHBondContact O-N 2.81Å; A122-I251 CarbonylContact C-O 3.4Å; A122-I251 WeakPolarHBondContact CA-O 3.41Å; A122-I251 HydrophobicContact CB-CB 4Å; A122-I251 HydrophobicContact CB-CG2 4.44Å; L123-I251 PolarHBondContact N-O 3.27Å; I251-F253 HydrophobicContact CB-CE1 4.43Å; I251-F253 HydrophobicContact CG2-CD1 3.73Å; I251-F253 HydrophobicContact CG2-CE1 3.48Å; I251-F253 VanDerWaalsContact CG2-CE1 3.48Å; I251-F253 HydrophobicContact CG2-CZ 4.5Å; I251-K278 CarbonylContact C-O 3.48Å; I251-K278 WeakPolarHBondContact CA-O 3.23Å; I251-K278 HydrophobicContact CG1-CB 4.37Å; I251-K278 HydrophobicContact CG2-CB 4.31Å; I251-I280 HydrophobicContact CG2-CG1 3.62Å; I251-L477 HydrophobicContact CD1-CD1 3.73Å; I251-L477 HydrophobicContact CD1-CD2 3.96Å; I251-L477 HydrophobicContact CD1-CG 3.71Å; I251-L477 HydrophobicContact CG1-CD1 3.92Å; I251-L477 HydrophobicContact CG1-CG 4.45Å; I251-L477 HydrophobicContact CG2-CD1 4.39Å |
| 252 | V | 98.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.5 | 166.7 | 168.1 | 0 | 0 | 0 | 0 | 108.8 | L123 T125 L241 A254 V266 L270 I277 K278 I280 | L123-V252 HydrophobicContact CB-CG2 4.48Å; L123-V252 CarbonylContact O-C 3.6Å; L123-V252 VanDerWaalsContact O-CA 3.29Å; L123-V252 WeakPolarHBondContact O-CA 3.49Å; T125-V252 HydrophobicContact CG2-CG1 4.08Å; L241-V252 HydrophobicContact CD2-CB 4.43Å; L241-V252 HydrophobicContact CD2-CG1 3.76Å; L241-V252 HydrophobicContact CD2-CG2 3.76Å; V252-A254 HydrophobicContact CG1-CB 4.33Å; V252-V266 HydrophobicContact CG1-CG1 4.18Å; V252-L270 HydrophobicContact CG2-CD2 4.2Å; V252-I277 HydrophobicContact CB-CG2 4.43Å; V252-I277 HydrophobicContact CG2-CG2 3.83Å; V252-K278 PolarHBondContact N-O 3.48Å; V252-I280 PolarHBondContact O-N 3.48Å |
| 253 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 104.5 | 165.2 | -53.5 | -26.6 | 0 | 0 | 0 | 107.3 | I59 R84 A122 L123 D124 T125 I251 I280 K282 M303 I337 M372 | I59-F253 HydrophobicContact CD1-CZ 4.13Å; I59-F253 HydrophobicContact CG2-CE2 4.08Å; I59-F253 HydrophobicContact CG2-CZ 4.25Å; R84-F253 HydrophobicContact CB-CE2 4.1Å; R84-F253 HydrophobicContact CG-CD2 4.12Å; R84-F253 HydrophobicContact CG-CE2 4.01Å; A122-F253 HydrophobicContact CB-CD1 4.33Å; A122-F253 HydrophobicContact CB-CD2 4.04Å; A122-F253 HydrophobicContact CB-CE1 3.87Å; A122-F253 HydrophobicContact CB-CE2 3.49Å; A122-F253 VanDerWaalsContact CB-CE2 3.49Å; A122-F253 HydrophobicContact CB-CG 4.44Å; A122-F253 HydrophobicContact CB-CZ 3.41Å; A122-F253 VanDerWaalsContact CB-CZ 3.41Å; L123-F253 PolarHBondContact O-N 3.45Å; D124-F253 WeakPolarHBondContact CA-O 3.36Å; D124-F253 HydrophobicContact CB-CB 4.06Å; D124-F253 HydrophobicContact CB-CD2 4.11Å; T125-F253 PolarHBondContact N-O 3.33Å; T125-F253 PolarHBondContact OG1-O 2.87Å; I251-F253 HydrophobicContact CB-CE1 4.43Å; I251-F253 HydrophobicContact CG2-CD1 3.73Å; I251-F253 HydrophobicContact CG2-CE1 3.48Å; I251-F253 VanDerWaalsContact CG2-CE1 3.48Å; I251-F253 HydrophobicContact CG2-CZ 4.5Å; F253-I280 WeakPolarHBondContact CA-O 3.44Å; F253-I280 HydrophobicContact CD1-CB 3.79Å; F253-I280 HydrophobicContact CD1-CG1 3.95Å; F253-I280 HydrophobicContact CD1-CG2 4.31Å; F253-I280 HydrophobicContact CE1-CB 4.28Å; F253-I280 HydrophobicContact CE1-CG1 4Å; F253-K282 HydrophobicContact CB-CD 3.95Å; F253-K282 HydrophobicContact CB-CG 4.27Å; F253-M303 HydrophobicContact CB-CE 4.23Å; F253-M303 HydrophobicContact CD1-CE 4.03Å; F253-M303 HydrophobicContact CD2-CE 3.49Å; F253-M303 VanDerWaalsContact CD2-CE 3.49Å; F253-M303 HydrophobicContact CE1-CE 4.15Å; F253-M303 HydrophobicContact CE2-CE 3.66Å; F253-M303 HydrophobicContact CG-CE 3.67Å; F253-M303 HydrophobicContact CZ-CE 3.98Å; F253-I337 HydrophobicContact CD1-CD1 4.5Å; F253-I337 HydrophobicContact CE1-CD1 3.76Å; F253-I337 HydrophobicContact CZ-CD1 4.02Å; F253-M372 HydrophobicContact CE2-SD 4.44Å |
| 254 | A | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 118.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | T125 V252 I257 V266 V279 I280 K282 | T125-A254 WeakPolarHBondContact OG1-CA 3.26Å; V252-A254 HydrophobicContact CG1-CB 4.33Å; A254-I257 HydrophobicContact CB-CD1 3.89Å; A254-I257 HydrophobicContact CB-CG1 3.9Å; A254-I257 WeakPolarHBondContact O-CG1 3.4Å; A254-V266 HydrophobicContact CB-CG1 4.33Å; A254-V266 HydrophobicContact CB-CG2 3.93Å; A254-V279 HydrophobicContact CB-CG1 4.42Å; A254-I280 PolarHBondContact N-O 3.45Å; A254-K282 VanDerWaalsContact O-CB 3.26Å; A254-K282 WeakPolarHBondContact O-CB 3.29Å; A254-K282 PolarHBondContact O-N 3.2Å |
| 255 | S | 96.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 147.5 | -173.4 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | D124 T125 I257 K282 E284 | D124-S255 PolarHBondContact OD1-OG 3.49Å; T125-S255 WeakPolarHBondContact O-CB 3.35Å; T125-S255 PolarHBondContact O-OG 3.25Å; T125-S255 PolarHBondContact OG1-N 3.08Å; T125-S255 PolarHBondContact OG1-OG 3.34Å; S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.2Å; S255-K282 PolarHBondContact OG-NZ 3.42Å; S255-E284 WeakPolarHBondContact CA-OE1 3.5Å |
| 256 | F | 93.9 | Very high | 97.5 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 7% | 0.07 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 39.8 | 175.4 | -60.6 | -86.6 | 0 | 0 | 0 | 114.2 | P128 E129 R258 E284 D308 | P128-F256 HydrophobicContact CG-CB 3.92Å; E129-F256 HydrophobicContact CG-CD2 4.27Å; E129-F256 HydrophobicContact CG-CE2 3.43Å; E129-F256 VanDerWaalsContact CG-CE2 3.43Å; E129-F256 HydrophobicContact CG-CZ 3.99Å; F256-R258 WeakPolarHBondContact O-CG 3.36Å; F256-R258 PolarHBondContact O-N 3.16Å; F256-R258 PolarHBondContact O-NE 3.42Å; F256-E284 HydrophobicContact CB-CG 4.41Å; F256-E284 HydrophobicContact CD1-CG 3.54Å; F256-E284 HydrophobicContact CE1-CG 3.8Å; F256-E284 HydrophobicContact CG-CG 3.93Å; F256-E284 HydrophobicContact CZ-CG 4.39Å; F256-E284 PolarHBondContact N-OE1 3.47Å; F256-D308 HydrophobicContact CE1-CB 4.14Å; F256-D308 HydrophobicContact CZ-CB 4.29Å |
| 257 | I | 96.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | trans | -66.8 | 125.7 | 174.8 | -63.8 | -65 | 0 | 0 | 0 | 109.5 | A254 S255 D262 V263 V266 K282 I295 | A254-I257 HydrophobicContact CB-CD1 3.89Å; A254-I257 HydrophobicContact CB-CG1 3.9Å; A254-I257 WeakPolarHBondContact O-CG1 3.4Å; S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.2Å; I257-D262 HydrophobicContact CD1-CB 3.65Å; I257-D262 HydrophobicContact CG2-CB 4.27Å; I257-V263 HydrophobicContact CG2-CG2 3.67Å; I257-V266 HydrophobicContact CD1-CG2 4.3Å; I257-K282 PolarHBondContact N-O 3.48Å; I257-I295 HydrophobicContact CG2-CB 4.45Å; I257-I295 HydrophobicContact CG2-CD1 4.01Å; I257-I295 HydrophobicContact CG2-CG1 3.9Å; I257-I295 HydrophobicContact CG2-CG2 3.71Å | ||
| 258 | R | 94.7 | Very high | 97.5 | Very high | 16 Ų | 16 | 28.4 Ų | 28.4 | 6% | 0.06 | 14% | 0.135 | C | C | . | . | trans | -120.9 | -17.6 | -175.1 | -66.9 | 162.8 | -156.4 | 176.5 | 2.9 | 112.8 | L227 F256 D262 Q287 N291 | L227-R258 VanDerWaalsContact CB-NH1 3.32Å; F256-R258 WeakPolarHBondContact O-CG 3.36Å; F256-R258 PolarHBondContact O-N 3.16Å; F256-R258 PolarHBondContact O-NE 3.42Å; R258-D262 WeakPolarHBondContact CA-OD2 3.47Å; R258-D262 WeakPolarHBondContact CB-OD2 3.46Å; R258-D262 PolarHBondContact N-OD2 3.35Å; R258-Q287 HydrophobicContact CB-CB 4.37Å; R258-Q287 HydrophobicContact CB-CG 4.05Å; R258-Q287 HydrophobicContact CG-CB 4.33Å; R258-N291 WeakPolarHBondContact O-CB 3.22Å; R258-N291 PolarHBondContact O-ND2 2.76Å | ||
| 259 | S | 95.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 16% | 0.161 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -148.8 | 164.7 | -178.5 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | Q261 D262 E294 | S259-Q261 PolarHBondContact O-N 2.97Å; S259-Q261 PolarHBondContact OG-N 2.86Å; S259-D262 PolarHBondContact N-OD2 3.08Å; S259-D262 WeakPolarHBondContact O-CB 3.48Å; S259-D262 PolarHBondContact O-N 2.94Å; S259-D262 PolarHBondContact OG-N 3.03Å; S259-D262 PolarHBondContact OG-OD1 3.22Å; S259-D262 VanDerWaalsContact OG-OD1 3.1Å; S259-D262 PolarHBondContact OG-OD2 3.15Å; S259-E294 WeakPolarHBondContact CA-OE1 3.32Å |
| 260 | A | 97.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 28.3 Ų | 28.3 | 11% | 0.107 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.3 | -32.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | D262 V263 K264 E294 E298 | A260-D262 VanDerWaalsContact C-N 3.34Å; A260-V263 PolarHBondContact O-N 3.24Å; A260-K264 WeakPolarHBondContact O-CG 3.44Å; A260-K264 PolarHBondContact O-N 2.81Å; A260-E294 HydrophobicContact CB-CB 3.95Å; A260-E294 HydrophobicContact CB-CG 4.19Å; A260-E294 PolarHBondContact N-OE1 3.46Å; A260-E298 HydrophobicContact CB-CG 3.83Å |
| 261 | Q | 97.1 | Very high | 97.3 | Very high | 88 Ų | 88 | 29.5 Ų | 29.5 | 41% | 0.411 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67 | -37.7 | -179.5 | -173.9 | 53.7 | 51 | 0 | 0 | 111.5 | S259 V263 K264 D265 R268 | S259-Q261 PolarHBondContact O-N 2.97Å; S259-Q261 PolarHBondContact OG-N 2.86Å; Q261-V263 VanDerWaalsContact C-N 3.3Å; Q261-V263 PolarHBondContact O-N 3.02Å; Q261-K264 CarbonylContact O-C 3.52Å; Q261-K264 WeakPolarHBondContact O-CA 3.47Å; Q261-K264 WeakPolarHBondContact O-CB 3.45Å; Q261-K264 PolarHBondContact O-N 3.37Å; Q261-K264 VanDerWaalsContact O-N 3.1Å; Q261-D265 PolarHBondContact NE2-OD1 3.33Å; Q261-D265 VanDerWaalsContact O-CG 3.26Å; Q261-D265 PolarHBondContact O-N 3.35Å; Q261-R268 VanDerWaalsContact NE2-NH2 3.14Å |
| 262 | D | 96.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 34.2 Ų | 34.2 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 177 | -56.8 | -19.4 | 0 | 0 | 0 | 111.3 | A232 I257 R258 S259 A260 K264 D265 V266 | A232-D262 HydrophobicContact CB-CB 3.45Å; A232-D262 VanDerWaalsContact CB-CB 3.45Å; I257-D262 HydrophobicContact CD1-CB 3.65Å; I257-D262 HydrophobicContact CG2-CB 4.27Å; R258-D262 WeakPolarHBondContact CA-OD2 3.47Å; R258-D262 WeakPolarHBondContact CB-OD2 3.46Å; R258-D262 PolarHBondContact N-OD2 3.35Å; S259-D262 PolarHBondContact N-OD2 3.08Å; S259-D262 WeakPolarHBondContact O-CB 3.48Å; S259-D262 PolarHBondContact O-N 2.94Å; S259-D262 PolarHBondContact OG-N 3.03Å; S259-D262 PolarHBondContact OG-OD1 3.22Å; S259-D262 VanDerWaalsContact OG-OD1 3.1Å; S259-D262 PolarHBondContact OG-OD2 3.15Å; A260-D262 VanDerWaalsContact C-N 3.34Å; D262-K264 VanDerWaalsContact C-N 3.32Å; D262-K264 PolarHBondContact O-N 3.01Å; D262-D265 PolarHBondContact O-N 2.92Å; D262-V266 WeakPolarHBondContact O-CG2 3.47Å; D262-V266 PolarHBondContact O-N 3.4Å |
| 263 | V | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | I257 A260 Q261 D265 V266 R267 V279 S281 I295 E298 | I257-V263 HydrophobicContact CG2-CG2 3.67Å; A260-V263 PolarHBondContact O-N 3.24Å; Q261-V263 VanDerWaalsContact C-N 3.3Å; Q261-V263 PolarHBondContact O-N 3.02Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.44Å; V263-V266 PolarHBondContact O-N 3.1Å; V263-R267 WeakPolarHBondContact O-CG 3.42Å; V263-R267 PolarHBondContact O-N 3.49Å; V263-V279 HydrophobicContact CG1-CG1 4.16Å; V263-S281 WeakPolarHBondContact CG2-OG 3.41Å; V263-I295 HydrophobicContact CG2-CG2 4.22Å; V263-E298 HydrophobicContact CB-CB 3.99Å; V263-E298 HydrophobicContact CG1-CB 3.96Å; V263-E298 HydrophobicContact CG2-CB 4.48Å |
| 264 | K | 98.1 | Very high | 97 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 35% | 0.348 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 175.8 | -69.1 | 172.6 | -174.9 | 174.4 | 0 | 111.6 | A260 Q261 D262 R267 R268 E298 | A260-K264 WeakPolarHBondContact O-CG 3.44Å; A260-K264 PolarHBondContact O-N 2.81Å; Q261-K264 CarbonylContact O-C 3.52Å; Q261-K264 WeakPolarHBondContact O-CA 3.47Å; Q261-K264 WeakPolarHBondContact O-CB 3.45Å; Q261-K264 PolarHBondContact O-N 3.37Å; Q261-K264 VanDerWaalsContact O-N 3.1Å; D262-K264 VanDerWaalsContact C-N 3.32Å; D262-K264 PolarHBondContact O-N 3.01Å; K264-R267 PolarHBondContact O-N 3.33Å; K264-R268 WeakPolarHBondContact O-CB 3.49Å; K264-R268 PolarHBondContact O-N 3.01Å; K264-E298 WeakPolarHBondContact CE-OE1 3.19Å; K264-E298 WeakPolarHBondContact CE-OE2 3.3Å; K264-E298 IonicContact NZ-OE1 2.74Å; K264-E298 PolarHBondContact NZ-OE1 2.91Å; K264-E298 IonicContact NZ-OE2 2.76Å |
| 265 | D | 97.4 | Very high | 97 | Very high | 46 Ų | 46 | 50.8 Ų | 50.8 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -41.6 | 178.1 | -67.3 | -21.1 | 0 | 0 | 0 | 111.7 | V233 Q261 D262 V263 R268 A269 | V233-D265 HydrophobicContact CG2-CB 4.15Å; Q261-D265 PolarHBondContact NE2-OD1 3.33Å; Q261-D265 VanDerWaalsContact O-CG 3.26Å; Q261-D265 PolarHBondContact O-N 3.35Å; D262-D265 PolarHBondContact O-N 2.92Å; V263-D265 VanDerWaalsContact C-N 3.3Å; V263-D265 PolarHBondContact O-N 3.44Å; D265-R268 WeakPolarHBondContact O-CB 3.44Å; D265-R268 PolarHBondContact O-N 3.45Å; D265-R268 IonicContact OD1-CZ 2.83Å; D265-R268 IonicContact OD1-NE 3.4Å; D265-R268 IonicContact OD1-NH2 3.44Å; D265-R268 PolarHBondContact OD1-NH2 3.41Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 3.49Å |
| 266 | V | 98.3 | Very high | 97 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 171.3 | 175.1 | 0 | 0 | 0 | 0 | 111 | V233 L241 V252 A254 I257 D262 V263 R268 A269 L270 V279 | V233-V266 HydrophobicContact CG2-CB 4.41Å; V233-V266 HydrophobicContact CG2-CG2 3.67Å; L241-V266 HydrophobicContact CD1-CG1 4.31Å; L241-V266 HydrophobicContact CD2-CG1 4.43Å; V252-V266 HydrophobicContact CG1-CG1 4.18Å; A254-V266 HydrophobicContact CB-CG1 4.33Å; A254-V266 HydrophobicContact CB-CG2 3.93Å; I257-V266 HydrophobicContact CD1-CG2 4.3Å; D262-V266 WeakPolarHBondContact O-CG2 3.47Å; D262-V266 PolarHBondContact O-N 3.4Å; V263-V266 PolarHBondContact O-N 3.1Å; V266-R268 VanDerWaalsContact C-N 3.29Å; V266-R268 PolarHBondContact O-N 2.98Å; V266-A269 PolarHBondContact O-N 3.35Å; V266-L270 HydrophobicContact CG1-CD1 4.46Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 2.79Å; V266-V279 HydrophobicContact CB-CG1 4.48Å; V266-V279 HydrophobicContact CG1-CG1 3.98Å; V266-V279 HydrophobicContact CG1-CG2 4.2Å |
| 267 | R | 98.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 55.1 Ų | 55.1 | 31% | 0.306 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.4 | -38.3 | 177 | -73.1 | -168.9 | -174.2 | -72.1 | 1 | 112.4 | V263 K264 L270 G271 V279 E298 D300 | V263-R267 WeakPolarHBondContact O-CG 3.42Å; V263-R267 PolarHBondContact O-N 3.49Å; K264-R267 PolarHBondContact O-N 3.33Å; R267-L270 PolarHBondContact O-N 2.83Å; R267-G271 PolarHBondContact O-N 3.31Å; R267-V279 HydrophobicContact CG-CG2 4.02Å; R267-E298 PolarHBondContact NE-O 2.63Å; R267-E298 PolarHBondContact NH2-O 3.26Å; R267-D300 IonicContact CZ-OD2 2.91Å; R267-D300 VanDerWaalsContact CZ-OD2 3.29Å; R267-D300 IonicContact NH1-OD2 2.7Å; R267-D300 PolarHBondContact NH1-OD2 2.87Å; R267-D300 VanDerWaalsContact NH2-CG 3.33Å; R267-D300 IonicContact NH2-OD1 2.93Å; R267-D300 IonicContact NH2-OD2 3.89Å; R267-D300 PolarHBondContact NH2-OD2 2.96Å |
| 268 | R | 97.8 | Very high | 97.3 | Very high | 169 Ų | 169 | 58.2 Ų | 58.2 | 64% | 0.638 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.1 | -44.1 | 177 | -164.7 | -165.4 | -37.7 | -116.4 | 4.8 | 111.2 | Q261 K264 D265 V266 L270 G271 | Q261-R268 VanDerWaalsContact NE2-NH2 3.14Å; K264-R268 WeakPolarHBondContact O-CB 3.49Å; K264-R268 PolarHBondContact O-N 3.01Å; D265-R268 WeakPolarHBondContact O-CB 3.44Å; D265-R268 PolarHBondContact O-N 3.45Å; D265-R268 IonicContact OD1-CZ 2.83Å; D265-R268 IonicContact OD1-NE 3.4Å; D265-R268 IonicContact OD1-NH2 3.44Å; D265-R268 PolarHBondContact OD1-NH2 3.41Å; V266-R268 VanDerWaalsContact C-N 3.29Å; V266-R268 PolarHBondContact O-N 2.98Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 3.22Å; R268-G271 PolarHBondContact O-N 2.85Å |
| 269 | A | 97.6 | Very high | 97.5 | Very high | 19 Ų | 19 | 57.4 Ų | 57.4 | 16% | 0.157 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -32.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V233 E238 L241 D265 V266 G271 | V233-A269 HydrophobicContact CG1-CB 4.07Å; E238-A269 HydrophobicContact CG-CB 4.36Å; L241-A269 HydrophobicContact CD1-CB 3.64Å; D265-A269 WeakPolarHBondContact O-CB 3.16Å; D265-A269 PolarHBondContact O-N 3.49Å; V266-A269 PolarHBondContact O-N 3.35Å; A269-G271 VanDerWaalsContact C-N 3.26Å; A269-G271 PolarHBondContact O-N 3.42Å |
| 270 | L | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.3 | -26.4 | 171.9 | -72.5 | 173.3 | 0 | 0 | 0 | 113.4 | L241 V245 V252 V266 R267 R268 G274 I277 V279 | L241-L270 HydrophobicContact CB-CD2 4.19Å; L241-L270 HydrophobicContact CD2-CD2 3.93Å; L241-L270 HydrophobicContact CD2-CG 4.41Å; V245-L270 HydrophobicContact CG2-CD2 3.67Å; V252-L270 HydrophobicContact CG2-CD2 4.2Å; V266-L270 HydrophobicContact CG1-CD1 4.46Å; V266-L270 WeakPolarHBondContact O-CG 3.34Å; V266-L270 PolarHBondContact O-N 2.79Å; R267-L270 PolarHBondContact O-N 2.83Å; R268-L270 VanDerWaalsContact C-N 3.31Å; R268-L270 PolarHBondContact O-N 3.22Å; L270-G274 WeakPolarHBondContact O-CA 3.42Å; L270-G274 PolarHBondContact O-N 2.9Å; L270-I277 HydrophobicContact CD1-CB 4.38Å; L270-I277 HydrophobicContact CD1-CG2 4.43Å; L270-I277 HydrophobicContact CD2-CD1 4.22Å; L270-V279 HydrophobicContact CD1-CG2 3.78Å |
| 271 | G | 97.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 55.7 Ų | 55.7 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | -171.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R267 R268 A269 H273 G274 R275 | R267-G271 PolarHBondContact O-N 3.31Å; R268-G271 PolarHBondContact O-N 2.85Å; A269-G271 VanDerWaalsContact C-N 3.26Å; A269-G271 PolarHBondContact O-N 3.42Å; G271-H273 VanDerWaalsContact C-N 3.31Å; G271-H273 PolarHBondContact O-N 2.8Å; G271-G274 PolarHBondContact O-N 3.2Å; G271-R275 PolarHBondContact O-N 3.27Å |
| 272 | P | 97.1 | Very high | 97.8 | Very high | 100 Ų | 100 | 52.4 Ų | 52.4 | 65% | 0.649 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -31 | -174.3 | 24.7 | -33.7 | 0 | 0 | 0 | 113.6 | R275 | P272-R275 WeakPolarHBondContact O-CB 3.29Å; P272-R275 WeakPolarHBondContact O-CD 3.48Å; P272-R275 VanDerWaalsContact O-CG 3.31Å; P272-R275 WeakPolarHBondContact O-CG 3.48Å |
| 273 | H | 96.2 | Very high | 97.9 | Very high | 171 Ų | 171 | 51.3 Ų | 51.3 | 79% | 0.792 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -29.7 | 178.3 | -63.8 | 95.4 | 0 | 0 | 0 | 112.3 | V245 G271 | V245-H273 HydrophobicContact CG1-CB 3.78Å; G271-H273 VanDerWaalsContact C-N 3.31Å; G271-H273 PolarHBondContact O-N 2.8Å |
| 274 | G | 97.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 2.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L270 G271 H276 I277 | L270-G274 WeakPolarHBondContact O-CA 3.42Å; L270-G274 PolarHBondContact O-N 2.9Å; G271-G274 PolarHBondContact O-N 3.2Å; G274-H276 PolarHBondContact O-N 3.02Å; G274-I277 VanDerWaalsContact O-CB 3.31Å; G274-I277 WeakPolarHBondContact O-CB 3.35Å; G274-I277 WeakPolarHBondContact O-CG1 3.49Å; G274-I277 PolarHBondContact O-N 3.17Å |
| 275 | R | 96.6 | Very high | 97.4 | Very high | 178 Ų | 178 | 47.9 Ų | 47.9 | 67% | 0.672 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.7 | -170.9 | 74.9 | -176.6 | -176.4 | -168 | -2.9 | 115.7 | G271 P272 | G271-R275 PolarHBondContact O-N 3.27Å; P272-R275 WeakPolarHBondContact O-CB 3.29Å; P272-R275 WeakPolarHBondContact O-CD 3.48Å; P272-R275 VanDerWaalsContact O-CG 3.31Å; P272-R275 WeakPolarHBondContact O-CG 3.48Å |
| 276 | H | 96.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 47% | 0.468 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -8.6 | -179.5 | -64.3 | -53.8 | 0 | 0 | 0 | 113.2 | G274 Q474 | G274-H276 PolarHBondContact O-N 3.02Å; H276-Q474 PolarHBondContact O-NE2 3.4Å |
| 277 | I | 98.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -67.2 | 133.8 | 174.3 | -61.7 | 179.8 | 0 | 0 | 0 | 108.6 | V245 V249 V252 L270 G274 | V245-I277 HydrophobicContact CG2-CD1 3.91Å; V249-I277 HydrophobicContact CG2-CD1 4.04Å; V249-I277 WeakPolarHBondContact O-CG1 3.37Å; V252-I277 HydrophobicContact CB-CG2 4.43Å; V252-I277 HydrophobicContact CG2-CG2 3.83Å; L270-I277 HydrophobicContact CD1-CB 4.38Å; L270-I277 HydrophobicContact CD1-CG2 4.43Å; L270-I277 HydrophobicContact CD2-CD1 4.22Å; G274-I277 VanDerWaalsContact O-CB 3.31Å; G274-I277 WeakPolarHBondContact O-CB 3.35Å; G274-I277 WeakPolarHBondContact O-CG1 3.49Å; G274-I277 PolarHBondContact O-N 3.17Å |
| 278 | K | 98.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 29% | 0.287 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 130.1 | 179.5 | -60.5 | -55.8 | -176.6 | 178.4 | 0 | 110.3 | D250 I251 V252 D300 Q474 L477 | D250-K278 PolarHBondContact O-N 3.45Å; D250-K278 VanDerWaalsContact O-N 3.11Å; I251-K278 CarbonylContact C-O 3.48Å; I251-K278 WeakPolarHBondContact CA-O 3.23Å; I251-K278 HydrophobicContact CG1-CB 4.37Å; I251-K278 HydrophobicContact CG2-CB 4.31Å; V252-K278 PolarHBondContact N-O 3.48Å; K278-D300 HydrophobicContact CB-CB 4.11Å; K278-D300 HydrophobicContact CD-CB 3.96Å; K278-D300 IonicContact NZ-OD1 3.27Å; K278-D300 PolarHBondContact NZ-OD1 3.27Å; K278-Q474 HydrophobicContact CG-CB 4.39Å; K278-Q474 HydrophobicContact CG-CG 4.09Å; K278-L477 HydrophobicContact CB-CD1 4.06Å; K278-L477 HydrophobicContact CG-CD1 4.14Å |
| 279 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.5 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | A254 V263 V266 R267 L270 D300 G301 | A254-V279 HydrophobicContact CB-CG1 4.42Å; V263-V279 HydrophobicContact CG1-CG1 4.16Å; V266-V279 HydrophobicContact CB-CG1 4.48Å; V266-V279 HydrophobicContact CG1-CG1 3.98Å; V266-V279 HydrophobicContact CG1-CG2 4.2Å; R267-V279 HydrophobicContact CG-CG2 4.02Å; L270-V279 HydrophobicContact CD1-CG2 3.78Å; V279-D300 PolarHBondContact N-OD2 2.98Å; V279-D300 WeakPolarHBondContact O-CB 3.33Å; V279-D300 PolarHBondContact O-N 3.32Å; V279-G301 PolarHBondContact O-N 3.15Å |
| 280 | I | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 117.7 | 173.4 | -52 | -59.1 | 0 | 0 | 0 | 108.3 | I251 V252 F253 A254 G301 V302 M303 I337 L477 | I251-I280 HydrophobicContact CG2-CG1 3.62Å; V252-I280 PolarHBondContact O-N 3.48Å; F253-I280 WeakPolarHBondContact CA-O 3.44Å; F253-I280 HydrophobicContact CD1-CB 3.79Å; F253-I280 HydrophobicContact CD1-CG1 3.95Å; F253-I280 HydrophobicContact CD1-CG2 4.31Å; F253-I280 HydrophobicContact CE1-CB 4.28Å; F253-I280 HydrophobicContact CE1-CG1 4Å; A254-I280 PolarHBondContact N-O 3.45Å; I280-G301 WeakPolarHBondContact CA-O 3.46Å; I280-V302 VanDerWaalsContact CG2-C 3.42Å; I280-M303 HydrophobicContact CG2-CB 3.99Å; I280-I337 HydrophobicContact CG2-CD1 3.89Å; I280-L477 HydrophobicContact CD1-CD1 4.07Å; I280-L477 HydrophobicContact CD1-CD2 4.3Å; I280-L477 HydrophobicContact CG1-CD2 4.46Å |
| 281 | S | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.3 | 179.4 | -65.9 | 0 | 0 | 0 | 0 | 110.6 | V263 V283 S299 G301 V302 M303 | V263-S281 WeakPolarHBondContact CG2-OG 3.41Å; S281-V283 PolarHBondContact O-N 2.93Å; S281-S299 WeakPolarHBondContact CB-OG 3.45Å; S281-S299 PolarHBondContact OG-OG 3.14Å; S281-G301 PolarHBondContact N-O 2.68Å; S281-V302 CarbonylContact O-C 3.55Å; S281-V302 WeakPolarHBondContact O-CA 3.49Å; S281-M303 PolarHBondContact O-N 3.22Å |
| 282 | K | 98.6 | Very high | 96.6 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.078 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 115.8 | 171.4 | -62.9 | 167.7 | 56.5 | -173.6 | 0 | 108.4 | D124 F253 A254 S255 I257 E284 M303 A305 | D124-K282 IonicContact OD1-NZ 2.77Å; D124-K282 PolarHBondContact OD1-NZ 3.28Å; D124-K282 IonicContact OD2-NZ 3.59Å; D124-K282 PolarHBondContact OD2-NZ 2.94Å; F253-K282 HydrophobicContact CB-CD 3.95Å; F253-K282 HydrophobicContact CB-CG 4.27Å; A254-K282 VanDerWaalsContact O-CB 3.26Å; A254-K282 WeakPolarHBondContact O-CB 3.29Å; A254-K282 PolarHBondContact O-N 3.2Å; S255-K282 PolarHBondContact OG-NZ 3.42Å; I257-K282 PolarHBondContact N-O 3.48Å; K282-E284 WeakPolarHBondContact CB-OE1 3.48Å; K282-E284 WeakPolarHBondContact CE-OE1 3.4Å; K282-E284 IonicContact NZ-OE1 3.07Å; K282-M303 HydrophobicContact CD-SD 4.28Å; K282-M303 HydrophobicContact CG-CB 3.99Å; K282-M303 HydrophobicContact CG-CG 4.36Å; K282-M303 HydrophobicContact CG-SD 3.87Å; K282-A305 HydrophobicContact CB-CB 4.13Å |
| 283 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 103.6 | 176.5 | 178 | 0 | 0 | 0 | 0 | 107.9 | S281 V289 F292 I295 V302 M303 M325 | S281-V283 PolarHBondContact O-N 2.93Å; V283-V289 HydrophobicContact CG1-CG2 3.85Å; V283-F292 HydrophobicContact CG2-CD2 4.02Å; V283-F292 HydrophobicContact CG2-CE2 4.07Å; V283-I295 HydrophobicContact CG2-CG2 4.49Å; V283-V302 HydrophobicContact CG2-CG1 4Å; V283-M303 PolarHBondContact N-O 3.35Å; V283-M325 HydrophobicContact CB-SD 3.67Å; V283-M325 HydrophobicContact CG1-CE 4.38Å; V283-M325 HydrophobicContact CG1-SD 3.58Å; V283-M325 VanDerWaalsContact CG1-SD 3.58Å; V283-M325 HydrophobicContact CG2-SD 4.25Å |
| 284 | E | 94.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | trans | -134.9 | 11.1 | -171 | 59.6 | -159.7 | 120.1 | 0 | 0 | 114 | S255 F256 K282 A305 D308 L309 E312 | S255-E284 WeakPolarHBondContact CA-OE1 3.5Å; F256-E284 HydrophobicContact CB-CG 4.41Å; F256-E284 HydrophobicContact CD1-CG 3.54Å; F256-E284 HydrophobicContact CE1-CG 3.8Å; F256-E284 HydrophobicContact CG-CG 3.93Å; F256-E284 HydrophobicContact CZ-CG 4.39Å; F256-E284 PolarHBondContact N-OE1 3.47Å; K282-E284 WeakPolarHBondContact CB-OE1 3.48Å; K282-E284 WeakPolarHBondContact CE-OE1 3.4Å; K282-E284 IonicContact NZ-OE1 3.07Å; E284-A305 HydrophobicContact CB-CB 3.89Å; E284-D308 HydrophobicContact CB-CB 3.79Å; E284-D308 HydrophobicContact CG-CB 4.26Å; E284-D308 CarbonylContact O-C 3.59Å; E284-L309 WeakPolarHBondContact O-CA 3.33Å; E284-L309 PolarHBondContact O-N 3.43Å; E284-E312 WeakPolarHBondContact O-CG 3.47Å | ||
| 285 | S | 91.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 5% | 0.049 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -131.2 | 157.9 | 177.1 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | Q287 G288 V289 | S285-Q287 PolarHBondContact O-N 3.07Å; S285-G288 PolarHBondContact O-N 2.71Å; S285-G288 PolarHBondContact OG-N 3.3Å; S285-G288 VanDerWaalsContact OG-N 3.07Å; S285-V289 PolarHBondContact O-N 3.03Å; S285-V289 VanDerWaalsContact O-N 3.07Å |
| 286 | R | 91.3 | Very high | 96.9 | Very high | 114 Ų | 114 | 37.1 Ų | 37.1 | 43% | 0.43 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.8 | -37.2 | 173.4 | -173.8 | 174.8 | -174.8 | 162.6 | 0.8 | 112.3 | S224 V289 K290 I313 | S224-R286 PolarHBondContact OG-NH1 2.93Å; R286-V289 PolarHBondContact O-N 2.93Å; R286-K290 WeakPolarHBondContact O-CG 3.14Å; R286-K290 PolarHBondContact O-N 2.78Å; R286-K290 VanDerWaalsContact O-N 3.1Å; R286-I313 HydrophobicContact CB-CG2 3.87Å; R286-I313 HydrophobicContact CG-CG2 4.11Å |
| 287 | Q | 91.8 | Very high | 97 | Very high | 58 Ų | 58 | 35.5 Ų | 35.5 | 27% | 0.271 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 177.6 | -172.9 | 179.1 | 8.9 | 0 | 0 | 111.2 | R258 S285 V289 K290 N291 | R258-Q287 HydrophobicContact CB-CB 4.37Å; R258-Q287 HydrophobicContact CB-CG 4.05Å; R258-Q287 HydrophobicContact CG-CB 4.33Å; S285-Q287 PolarHBondContact O-N 3.07Å; Q287-V289 VanDerWaalsContact C-N 3.29Å; Q287-V289 PolarHBondContact O-N 2.95Å; Q287-K290 PolarHBondContact O-N 3.41Å; Q287-K290 VanDerWaalsContact O-N 3.11Å; Q287-N291 WeakPolarHBondContact O-CB 3.29Å; Q287-N291 PolarHBondContact O-N 3.18Å |
| 288 | G | 95.1 | Very high | 97 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S285 N291 F292 | S285-G288 PolarHBondContact O-N 2.71Å; S285-G288 PolarHBondContact OG-N 3.3Å; S285-G288 VanDerWaalsContact OG-N 3.07Å; G288-N291 CarbonylContact O-C 3.5Å; G288-N291 PolarHBondContact O-N 2.91Å; G288-F292 WeakPolarHBondContact O-CA 3.44Å; G288-F292 PolarHBondContact O-N 3.22Å; G288-F292 VanDerWaalsContact O-N 3.12Å |
| 289 | V | 97.1 | Very high | 96.9 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 19% | 0.194 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | 174.5 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | V283 S285 R286 Q287 F292 L309 A321 M324 | V283-V289 HydrophobicContact CG1-CG2 3.85Å; S285-V289 PolarHBondContact O-N 3.03Å; S285-V289 VanDerWaalsContact O-N 3.07Å; R286-V289 PolarHBondContact O-N 2.93Å; Q287-V289 VanDerWaalsContact C-N 3.29Å; Q287-V289 PolarHBondContact O-N 2.95Å; V289-F292 WeakPolarHBondContact O-CB 3.38Å; V289-L309 HydrophobicContact CG2-CD1 3.82Å; V289-A321 HydrophobicContact CG2-CB 4.4Å; V289-M324 HydrophobicContact CG1-CE 3.81Å |
| 290 | K | 95.9 | Very high | 96.9 | Very high | 134 Ų | 134 | 37 Ų | 37 | 58% | 0.583 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -66.3 | -41.6 | 176.5 | -74.3 | 178.1 | 177.6 | 177.8 | 0 | 112 | R286 Q287 F292 | R286-K290 WeakPolarHBondContact O-CG 3.14Å; R286-K290 PolarHBondContact O-N 2.78Å; R286-K290 VanDerWaalsContact O-N 3.1Å; Q287-K290 PolarHBondContact O-N 3.41Å; Q287-K290 VanDerWaalsContact O-N 3.11Å; K290-F292 PolarHBondContact O-N 2.95Å |
| 291 | N | 96.9 | Very high | 96.9 | Very high | 49 Ų | 49 | 37 Ų | 37 | 26% | 0.262 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 19.7 | -176.7 | -66.3 | -7.4 | 0 | 0 | 0 | 112.5 | R258 Q287 G288 E293 E294 I295 | R258-N291 WeakPolarHBondContact O-CB 3.22Å; R258-N291 PolarHBondContact O-ND2 2.76Å; Q287-N291 WeakPolarHBondContact O-CB 3.29Å; Q287-N291 PolarHBondContact O-N 3.18Å; G288-N291 CarbonylContact O-C 3.5Å; G288-N291 PolarHBondContact O-N 2.91Å; N291-E293 VanDerWaalsContact C-N 3.3Å; N291-E293 PolarHBondContact O-N 2.89Å; N291-E294 HydrophobicContact CB-CG 3.93Å; N291-E294 WeakPolarHBondContact O-CG 3.48Å; N291-E294 PolarHBondContact O-N 3.08Å; N291-I295 HydrophobicContact CB-CD1 4.16Å; N291-I295 WeakPolarHBondContact O-CG1 3.49Å; N291-I295 PolarHBondContact O-N 2.92Å; N291-I295 VanDerWaalsContact O-N 3.16Å |
| 292 | F | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -39 | -168.6 | -174.5 | -101.6 | 0 | 0 | 0 | 113.8 | V283 G288 V289 K290 I295 L296 V302 M324 M325 R328 | V283-F292 HydrophobicContact CG2-CD2 4.02Å; V283-F292 HydrophobicContact CG2-CE2 4.07Å; G288-F292 WeakPolarHBondContact O-CA 3.44Å; G288-F292 PolarHBondContact O-N 3.22Å; G288-F292 VanDerWaalsContact O-N 3.12Å; V289-F292 WeakPolarHBondContact O-CB 3.38Å; K290-F292 PolarHBondContact O-N 2.95Å; F292-I295 PolarHBondContact O-N 3.36Å; F292-L296 HydrophobicContact CE1-CB 4.21Å; F292-L296 HydrophobicContact CE1-CD2 3.89Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD2 4.47Å; F292-L296 WeakPolarHBondContact O-CB 3.49Å; F292-L296 PolarHBondContact O-N 3.19Å; F292-V302 HydrophobicContact CE2-CB 4.36Å; F292-V302 HydrophobicContact CE2-CG1 3.63Å; F292-V302 HydrophobicContact CE2-CG2 3.97Å; F292-V302 HydrophobicContact CZ-CB 4.45Å; F292-V302 HydrophobicContact CZ-CG1 4.08Å; F292-V302 HydrophobicContact CZ-CG2 4Å; F292-M324 HydrophobicContact CD1-SD 4.1Å; F292-M324 HydrophobicContact CG-CE 4.48Å; F292-M324 HydrophobicContact CG-SD 4.42Å; F292-M325 HydrophobicContact CD1-CG 4.45Å; F292-M325 HydrophobicContact CD2-CG 3.64Å; F292-M325 HydrophobicContact CD2-SD 3.81Å; F292-M325 HydrophobicContact CE1-CB 4.3Å; F292-M325 HydrophobicContact CE1-CG 4.21Å; F292-M325 HydrophobicContact CE2-CB 3.81Å; F292-M325 HydrophobicContact CE2-CG 3.36Å; F292-M325 HydrophobicContact CE2-SD 3.59Å; F292-M325 VanDerWaalsContact CE2-SD 3.59Å; F292-M325 HydrophobicContact CG-CG 4.18Å; F292-M325 HydrophobicContact CZ-CB 3.66Å; F292-M325 HydrophobicContact CZ-CG 3.66Å; F292-M325 HydrophobicContact CZ-SD 4.41Å; F292-R328 HydrophobicContact CD1-CB 4.26Å; F292-R328 HydrophobicContact CE1-CB 3.65Å; F292-R328 HydrophobicContact CE1-CG 4.41Å |
| 293 | E | 98.3 | Very high | 97 | Very high | 103 Ų | 103 | 36.1 Ų | 36.1 | 48% | 0.481 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63 | -45.9 | -178.6 | -66.4 | -61 | 162.2 | 0 | 0 | 112.7 | N291 L296 A297 R328 | N291-E293 VanDerWaalsContact C-N 3.3Å; N291-E293 PolarHBondContact O-N 2.89Å; E293-L296 PolarHBondContact O-N 3.35Å; E293-A297 WeakPolarHBondContact O-CB 3.3Å; E293-A297 PolarHBondContact O-N 3.44Å; E293-R328 WeakPolarHBondContact OE1-CD 3.45Å; E293-R328 IonicContact OE1-CZ 3.98Å; E293-R328 IonicContact OE1-NE 3.81Å; E293-R328 PolarHBondContact OE1-NE 3.39Å; E293-R328 VanDerWaalsContact OE1-NE 3.1Å; E293-R328 IonicContact OE1-NH1 3.68Å; E293-R328 PolarHBondContact OE1-NH1 3.24Å; E293-R328 IonicContact OE1-NH2 3.39Å |
| 294 | E | 98.4 | Very high | 97 | Very high | 83 Ų | 83 | 36.1 Ų | 36.1 | 39% | 0.388 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -71.1 | -34.4 | -179.3 | 61 | 165.4 | -129.7 | 0 | 0 | 111.6 | S259 A260 N291 E298 | S259-E294 WeakPolarHBondContact CA-OE1 3.32Å; A260-E294 HydrophobicContact CB-CB 3.95Å; A260-E294 HydrophobicContact CB-CG 4.19Å; A260-E294 PolarHBondContact N-OE1 3.46Å; N291-E294 HydrophobicContact CB-CG 3.93Å; N291-E294 WeakPolarHBondContact O-CG 3.48Å; N291-E294 PolarHBondContact O-N 3.08Å; E294-E298 PolarHBondContact O-N 3.17Å |
| 295 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -54.3 | 172.4 | -67.5 | 164.5 | 0 | 0 | 0 | 108.8 | I257 V263 V283 N291 F292 A297 E298 S299 | I257-I295 HydrophobicContact CG2-CB 4.45Å; I257-I295 HydrophobicContact CG2-CD1 4.01Å; I257-I295 HydrophobicContact CG2-CG1 3.9Å; I257-I295 HydrophobicContact CG2-CG2 3.71Å; V263-I295 HydrophobicContact CG2-CG2 4.22Å; V283-I295 HydrophobicContact CG2-CG2 4.49Å; N291-I295 HydrophobicContact CB-CD1 4.16Å; N291-I295 WeakPolarHBondContact O-CG1 3.49Å; N291-I295 PolarHBondContact O-N 2.92Å; N291-I295 VanDerWaalsContact O-N 3.16Å; F292-I295 PolarHBondContact O-N 3.36Å; I295-A297 PolarHBondContact O-N 3.31Å; I295-E298 PolarHBondContact O-N 2.91Å; I295-S299 PolarHBondContact O-N 3.49Å; I295-S299 PolarHBondContact O-OG 3.07Å |
| 296 | L | 98.7 | Very high | 97.3 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.5 | -39.2 | -179.3 | 178.3 | 61.7 | 0 | 0 | 0 | 111.7 | F292 E293 E298 V302 R328 A332 K334 | F292-L296 HydrophobicContact CE1-CB 4.21Å; F292-L296 HydrophobicContact CE1-CD2 3.89Å; F292-L296 HydrophobicContact CZ-CB 4.45Å; F292-L296 HydrophobicContact CZ-CD2 4.47Å; F292-L296 WeakPolarHBondContact O-CB 3.49Å; F292-L296 PolarHBondContact O-N 3.19Å; E293-L296 PolarHBondContact O-N 3.35Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-E298 PolarHBondContact O-N 3.15Å; L296-V302 HydrophobicContact CD1-CG2 3.82Å; L296-R328 HydrophobicContact CD2-CB 4.2Å; L296-A332 HydrophobicContact CD2-CB 3.91Å; L296-A332 HydrophobicContact CG-CB 4.4Å; L296-K334 HydrophobicContact CD1-CB 4.1Å; L296-K334 HydrophobicContact CD1-CD 3.83Å; L296-K334 HydrophobicContact CD1-CG 4.46Å; L296-K334 HydrophobicContact CG-CD 4.45Å; L296-K334 WeakPolarHBondContact O-CD 3.4Å; L296-K334 PolarHBondContact O-NZ 3.36Å |
| 297 | A | 98.3 | Very high | 97.3 | Very high | 66 Ų | 66 | 33 Ų | 33 | 55% | 0.545 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.5 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E293 I295 K334 | E293-A297 WeakPolarHBondContact O-CB 3.3Å; E293-A297 PolarHBondContact O-N 3.44Å; I295-A297 PolarHBondContact O-N 3.31Å; A297-K334 PolarHBondContact O-NZ 3.33Å |
| 298 | E | 98.6 | Very high | 97.3 | Very high | 65 Ų | 65 | 32.3 Ų | 32.3 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -90.7 | -22.4 | -175.3 | -61.3 | -67.7 | 173.1 | 0 | 0 | 113.8 | A260 V263 K264 R267 E294 I295 L296 | A260-E298 HydrophobicContact CB-CG 3.83Å; V263-E298 HydrophobicContact CB-CB 3.99Å; V263-E298 HydrophobicContact CG1-CB 3.96Å; V263-E298 HydrophobicContact CG2-CB 4.48Å; K264-E298 WeakPolarHBondContact CE-OE1 3.19Å; K264-E298 WeakPolarHBondContact CE-OE2 3.3Å; K264-E298 IonicContact NZ-OE1 2.74Å; K264-E298 PolarHBondContact NZ-OE1 2.91Å; K264-E298 IonicContact NZ-OE2 2.76Å; R267-E298 PolarHBondContact NE-O 2.63Å; R267-E298 PolarHBondContact NH2-O 3.26Å; E294-E298 PolarHBondContact O-N 3.17Å; I295-E298 PolarHBondContact O-N 2.91Å; L296-E298 VanDerWaalsContact C-N 3.32Å; L296-E298 PolarHBondContact O-N 3.15Å |
| 299 | S | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -80.2 | 156.4 | -178.9 | -50 | 0 | 0 | 0 | 0 | 112.7 | S281 I295 G301 K334 | S281-S299 WeakPolarHBondContact CB-OG 3.45Å; S281-S299 PolarHBondContact OG-OG 3.14Å; I295-S299 PolarHBondContact O-N 3.49Å; I295-S299 PolarHBondContact O-OG 3.07Å; S299-G301 VanDerWaalsContact C-N 3.32Å; S299-G301 VanDerWaalsContact CB-O 3.23Å; S299-G301 WeakPolarHBondContact CB-O 3.36Å; S299-K334 WeakPolarHBondContact O-CD 3.37Å; S299-K334 WeakPolarHBondContact O-CE 3.49Å; S299-K334 PolarHBondContact O-NZ 3.09Å |
| 300 | D | 98.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 32 Ų | 32 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -77 | -25.2 | 167.2 | -71.1 | -79.2 | 0 | 0 | 0 | 111.4 | R267 K278 V279 P335 | R267-D300 IonicContact CZ-OD2 2.91Å; R267-D300 VanDerWaalsContact CZ-OD2 3.29Å; R267-D300 IonicContact NH1-OD2 2.7Å; R267-D300 PolarHBondContact NH1-OD2 2.87Å; R267-D300 VanDerWaalsContact NH2-CG 3.33Å; R267-D300 IonicContact NH2-OD1 2.93Å; R267-D300 IonicContact NH2-OD2 3.89Å; R267-D300 PolarHBondContact NH2-OD2 2.96Å; K278-D300 HydrophobicContact CB-CB 4.11Å; K278-D300 HydrophobicContact CD-CB 3.96Å; K278-D300 IonicContact NZ-OD1 3.27Å; K278-D300 PolarHBondContact NZ-OD1 3.27Å; V279-D300 PolarHBondContact N-OD2 2.98Å; V279-D300 WeakPolarHBondContact O-CB 3.33Å; V279-D300 PolarHBondContact O-N 3.32Å; D300-P335 WeakPolarHBondContact O-CD 3.32Å |
| 301 | G | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | -175.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V279 I280 S281 S299 P335 | V279-G301 PolarHBondContact O-N 3.15Å; I280-G301 WeakPolarHBondContact CA-O 3.46Å; S281-G301 PolarHBondContact N-O 2.68Å; S299-G301 VanDerWaalsContact C-N 3.32Å; S299-G301 VanDerWaalsContact CB-O 3.23Å; S299-G301 WeakPolarHBondContact CB-O 3.36Å; G301-P335 CarbonylContact C-O 3.59Å; G301-P335 WeakPolarHBondContact CA-O 3.45Å |
| 302 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.9 | -174.4 | 173.4 | 0 | 0 | 0 | 0 | 111 | I280 S281 V283 F292 L296 P335 V336 I337 | I280-V302 VanDerWaalsContact CG2-C 3.42Å; S281-V302 CarbonylContact O-C 3.55Å; S281-V302 WeakPolarHBondContact O-CA 3.49Å; V283-V302 HydrophobicContact CG2-CG1 4Å; F292-V302 HydrophobicContact CE2-CB 4.36Å; F292-V302 HydrophobicContact CE2-CG1 3.63Å; F292-V302 HydrophobicContact CE2-CG2 3.97Å; F292-V302 HydrophobicContact CZ-CB 4.45Å; F292-V302 HydrophobicContact CZ-CG1 4.08Å; F292-V302 HydrophobicContact CZ-CG2 4Å; L296-V302 HydrophobicContact CD1-CG2 3.82Å; V302-P335 PolarHBondContact N-O 3.16Å; V302-V336 CarbonylContact O-C 3.57Å; V302-V336 VanDerWaalsContact O-CA 3.29Å; V302-V336 WeakPolarHBondContact O-CA 3.38Å; V302-I337 PolarHBondContact O-N 3.25Å |
| 303 | M | 98.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 126.1 | 164.4 | -178.9 | -177.7 | -62.6 | 0 | 0 | 110.2 | F253 I280 S281 K282 V283 A305 I337 A339 M372 | F253-M303 HydrophobicContact CB-CE 4.23Å; F253-M303 HydrophobicContact CD1-CE 4.03Å; F253-M303 HydrophobicContact CD2-CE 3.49Å; F253-M303 VanDerWaalsContact CD2-CE 3.49Å; F253-M303 HydrophobicContact CE1-CE 4.15Å; F253-M303 HydrophobicContact CE2-CE 3.66Å; F253-M303 HydrophobicContact CG-CE 3.67Å; F253-M303 HydrophobicContact CZ-CE 3.98Å; I280-M303 HydrophobicContact CG2-CB 3.99Å; S281-M303 PolarHBondContact O-N 3.22Å; K282-M303 HydrophobicContact CD-SD 4.28Å; K282-M303 HydrophobicContact CG-CB 3.99Å; K282-M303 HydrophobicContact CG-CG 4.36Å; K282-M303 HydrophobicContact CG-SD 3.87Å; V283-M303 PolarHBondContact N-O 3.35Å; M303-A305 HydrophobicContact CG-CB 4.45Å; M303-A305 PolarHBondContact O-N 3.47Å; M303-A305 VanDerWaalsContact O-N 3.14Å; M303-I337 HydrophobicContact CB-CB 4.13Å; M303-I337 HydrophobicContact CB-CD1 4.45Å; M303-I337 HydrophobicContact CE-CB 4.45Å; M303-I337 HydrophobicContact CE-CD1 3.8Å; M303-I337 HydrophobicContact CE-CG2 4.14Å; M303-I337 HydrophobicContact CG-CB 4.05Å; M303-I337 HydrophobicContact CG-CG2 4.16Å; M303-A339 HydrophobicContact CG-CB 3.69Å; M303-A339 HydrophobicContact SD-CB 3.69Å; M303-M372 HydrophobicContact CE-CE 4.36Å; M303-M372 HydrophobicContact CE-SD 3.69Å; M303-M372 HydrophobicContact SD-CE 4.05Å; M303-M372 HydrophobicContact SD-SD 4.14Å |
| 304 | V | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 90.7 | 166.5 | -177.2 | 0 | 0 | 0 | 0 | 107.2 | R306 Q322 M325 V336 I337 A339 | V304-R306 HydrophobicContact CG1-CG 3.73Å; V304-R306 PolarHBondContact O-N 2.96Å; V304-Q322 HydrophobicContact CG1-CB 3.99Å; V304-Q322 HydrophobicContact CG1-CG 4.23Å; V304-M325 HydrophobicContact CB-CE 4.18Å; V304-M325 HydrophobicContact CG1-CE 3.67Å; V304-M325 HydrophobicContact CG2-CB 3.97Å; V304-M325 HydrophobicContact CG2-CE 3.84Å; V304-M325 HydrophobicContact CG2-SD 4.26Å; V304-V336 HydrophobicContact CG2-CG2 4.16Å; V304-I337 PolarHBondContact N-O 3.44Å; V304-A339 PolarHBondContact O-N 2.96Å |
| 305 | A | 96.9 | Very high | 95.6 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 85.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K282 E284 M303 G307 L309 | K282-A305 HydrophobicContact CB-CB 4.13Å; E284-A305 HydrophobicContact CB-CB 3.89Å; M303-A305 HydrophobicContact CG-CB 4.45Å; M303-A305 PolarHBondContact O-N 3.47Å; M303-A305 VanDerWaalsContact O-N 3.14Å; A305-G307 VanDerWaalsContact C-N 3.34Å; A305-G307 PolarHBondContact O-N 2.9Å; A305-L309 WeakPolarHBondContact O-CB 3.41Å; A305-L309 PolarHBondContact O-N 3.28Å |
| 306 | R | 96.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 11% | 0.113 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.9 | -22.7 | -165.4 | -60.5 | -179.8 | -56.2 | 170.3 | 11.9 | 115.2 | V304 G310 V318 A339 T340 D359 | V304-R306 HydrophobicContact CG1-CG 3.73Å; V304-R306 PolarHBondContact O-N 2.96Å; R306-G310 PolarHBondContact O-N 2.86Å; R306-V318 HydrophobicContact CB-CG1 4.2Å; R306-V318 HydrophobicContact CG-CG1 4.07Å; R306-A339 WeakPolarHBondContact CB-O 3.15Å; R306-A339 WeakPolarHBondContact CG-O 3.35Å; R306-A339 PolarHBondContact NE-O 2.7Å; R306-T340 PolarHBondContact NE-O 2.71Å; R306-T340 PolarHBondContact NH2-O 2.83Å; R306-D359 IonicContact CZ-OD1 3.92Å; R306-D359 IonicContact CZ-OD2 3.88Å; R306-D359 VanDerWaalsContact CZ-OD2 3.27Å; R306-D359 IonicContact NH1-OD1 3.15Å; R306-D359 PolarHBondContact NH1-OD1 2.7Å; R306-D359 IonicContact NH1-OD2 2.71Å; R306-D359 PolarHBondContact NH1-OD2 3.07Å; R306-D359 IonicContact NH2-OD1 2.66Å; R306-D359 IonicContact NH2-OD2 2.71Å; R306-D359 PolarHBondContact NH2-OD2 3.08Å |
| 307 | G | 90.1 | Very high | 95.3 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.1 | -72 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | A305 L309 G310 | A305-G307 VanDerWaalsContact C-N 3.34Å; A305-G307 PolarHBondContact O-N 2.9Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 2.78Å; G307-G310 PolarHBondContact O-N 2.92Å |
| 308 | D | 91.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 24% | 0.235 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 175.9 | -75.3 | -81.3 | 0 | 0 | 0 | 113 | N221 F256 E284 G310 I311 E312 | N221-D308 PolarHBondContact ND2-OD1 3.25Å; F256-D308 HydrophobicContact CE1-CB 4.14Å; F256-D308 HydrophobicContact CZ-CB 4.29Å; E284-D308 HydrophobicContact CB-CB 3.79Å; E284-D308 HydrophobicContact CG-CB 4.26Å; E284-D308 CarbonylContact O-C 3.59Å; D308-G310 VanDerWaalsContact C-N 3.3Å; D308-G310 PolarHBondContact O-N 3.11Å; D308-I311 WeakPolarHBondContact O-CB 3.19Å; D308-I311 PolarHBondContact O-N 3.34Å; D308-E312 PolarHBondContact O-N 3.13Å |
| 309 | L | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 177.5 | -171.6 | 59.1 | 0 | 0 | 0 | 112.2 | E284 V289 A305 G307 I311 E312 I313 A321 M325 | E284-L309 WeakPolarHBondContact O-CA 3.33Å; E284-L309 PolarHBondContact O-N 3.43Å; V289-L309 HydrophobicContact CG2-CD1 3.82Å; A305-L309 WeakPolarHBondContact O-CB 3.41Å; A305-L309 PolarHBondContact O-N 3.28Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 2.78Å; L309-I311 PolarHBondContact O-N 3.44Å; L309-E312 PolarHBondContact O-N 3.02Å; L309-I313 HydrophobicContact CD1-CD1 4.04Å; L309-I313 HydrophobicContact CD1-CG1 3.94Å; L309-I313 HydrophobicContact CD2-CD1 4.49Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 HydrophobicContact CG-CG1 3.99Å; L309-I313 WeakPolarHBondContact O-CG1 3.27Å; L309-I313 PolarHBondContact O-N 2.78Å; L309-A321 HydrophobicContact CD2-CB 4.11Å; L309-M325 HydrophobicContact CD2-CE 3.94Å |
| 310 | G | 93.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 39.5 Ų | 39.5 | 26% | 0.258 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -69.3 | -11.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R306 G307 D308 I313 | R306-G310 PolarHBondContact O-N 2.86Å; G307-G310 PolarHBondContact O-N 2.92Å; D308-G310 VanDerWaalsContact C-N 3.3Å; D308-G310 PolarHBondContact O-N 3.11Å; G310-I313 CarbonylContact C-O 3.53Å; G310-I313 VanDerWaalsContact O-O 3.08Å |
| 311 | I | 91.6 | Very high | 95.3 | Very high | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.128 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -93.5 | -43.3 | 170.7 | -53.5 | 165.5 | 0 | 0 | 0 | 109.6 | Y186 D189 N221 P223 D308 L309 | Y186-I311 HydrophobicContact CD2-CG2 4.4Å; Y186-I311 HydrophobicContact CG-CG2 4.07Å; D189-I311 VanDerWaalsContact C-CD1 3.41Å; D189-I311 HydrophobicContact CB-CD1 4.4Å; N221-I311 HydrophobicContact CB-CB 4.45Å; N221-I311 HydrophobicContact CB-CG2 3.55Å; P223-I311 WeakPolarHBondContact CG-O 3.48Å; D308-I311 WeakPolarHBondContact O-CB 3.19Å; D308-I311 PolarHBondContact O-N 3.34Å; L309-I311 PolarHBondContact O-N 3.44Å |
| 312 | E | 90.2 | Very high | 95.3 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.9 | -27.1 | -176.9 | -79 | -67.5 | 133.4 | 0 | 0 | 114.5 | N221 L222 E284 D308 L309 | N221-E312 WeakPolarHBondContact CB-OE1 3.45Å; L222-E312 PolarHBondContact N-OE1 2.76Å; E284-E312 WeakPolarHBondContact O-CG 3.47Å; D308-E312 PolarHBondContact O-N 3.13Å; L309-E312 PolarHBondContact O-N 3.02Å |
| 313 | I | 92.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -126 | 155.9 | 169.4 | 62.4 | 165 | 0 | 0 | 0 | 109.8 | R286 L309 G310 A315 K317 V318 A321 | R286-I313 HydrophobicContact CB-CG2 3.87Å; R286-I313 HydrophobicContact CG-CG2 4.11Å; L309-I313 HydrophobicContact CD1-CD1 4.04Å; L309-I313 HydrophobicContact CD1-CG1 3.94Å; L309-I313 HydrophobicContact CD2-CD1 4.49Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 HydrophobicContact CG-CG1 3.99Å; L309-I313 WeakPolarHBondContact O-CG1 3.27Å; L309-I313 PolarHBondContact O-N 2.78Å; G310-I313 CarbonylContact C-O 3.53Å; G310-I313 VanDerWaalsContact O-O 3.08Å; I313-A315 PolarHBondContact O-N 3.11Å; I313-K317 HydrophobicContact CD1-CB 4.23Å; I313-V318 HydrophobicContact CD1-CG2 4.26Å; I313-V318 HydrophobicContact CG1-CG2 4.18Å; I313-A321 HydrophobicContact CD1-CB 4.15Å |
| 314 | P | 91 | Very high | 95.3 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 39% | 0.39 | 24% | 0.241 | S | C | . | . | trans | -51.5 | 131.3 | 174.5 | -26 | 32.9 | 0 | 0 | 0 | 111.6 | E316 K317 | P314-E316 VanDerWaalsContact CB-CD 3.45Å; P314-E316 VanDerWaalsContact CB-OE1 3.25Å; P314-E316 WeakPolarHBondContact CB-OE1 3.36Å; P314-E316 VanDerWaalsContact CB-OE2 3.3Å; P314-E316 WeakPolarHBondContact CB-OE2 3.48Å; P314-E316 PolarHBondContact O-N 2.92Å; P314-E316 VanDerWaalsContact O-N 3.14Å; P314-K317 HydrophobicContact CB-CD 4.15Å; P314-K317 HydrophobicContact CB-CG 4.34Å; P314-K317 HydrophobicContact CG-CD 4.02Å; P314-K317 WeakPolarHBondContact O-CA 3.45Å; P314-K317 WeakPolarHBondContact O-CB 3.49Å; P314-K317 PolarHBondContact O-N 2.93Å | ||
| 315 | A | 91.1 | Very high | 95.3 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -55.1 | -36.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I313 K317 V318 | I313-A315 PolarHBondContact O-N 3.11Å; A315-K317 PolarHBondContact O-N 2.91Å; A315-K317 VanDerWaalsContact O-N 3.09Å; A315-V318 WeakPolarHBondContact O-CB 3.23Å; A315-V318 WeakPolarHBondContact O-CG2 3.41Å; A315-V318 PolarHBondContact O-N 3.45Å; A315-V318 VanDerWaalsContact O-N 3.12Å |
| 316 | E | 95.4 | Very high | 95.4 | Very high | 131 Ų | 131 | 44.7 Ų | 44.7 | 61% | 0.612 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -66.5 | -8.3 | 176.7 | 73.9 | -80.7 | -172.3 | 0 | 0 | 114.1 | P314 F319 | P314-E316 VanDerWaalsContact CB-CD 3.45Å; P314-E316 VanDerWaalsContact CB-OE1 3.25Å; P314-E316 WeakPolarHBondContact CB-OE1 3.36Å; P314-E316 VanDerWaalsContact CB-OE2 3.3Å; P314-E316 WeakPolarHBondContact CB-OE2 3.48Å; P314-E316 PolarHBondContact O-N 2.92Å; P314-E316 VanDerWaalsContact O-N 3.14Å; E316-F319 VanDerWaalsContact O-CD1 3.25Å; E316-F319 WeakPolarHBondContact O-CD1 3.4Å; E316-F319 WeakPolarHBondContact O-CE1 3.42Å |
| 317 | K | 97.2 | Very high | 95.5 | Very high | 110 Ų | 110 | 45 Ų | 45 | 48% | 0.478 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -102.7 | -9.2 | 175.6 | -63 | 175.9 | -175.9 | -89.4 | 0 | 113.2 | I313 P314 A315 F319 I320 A321 | I313-K317 HydrophobicContact CD1-CB 4.23Å; P314-K317 HydrophobicContact CB-CD 4.15Å; P314-K317 HydrophobicContact CB-CG 4.34Å; P314-K317 HydrophobicContact CG-CD 4.02Å; P314-K317 WeakPolarHBondContact O-CA 3.45Å; P314-K317 WeakPolarHBondContact O-CB 3.49Å; P314-K317 PolarHBondContact O-N 2.93Å; A315-K317 PolarHBondContact O-N 2.91Å; A315-K317 VanDerWaalsContact O-N 3.09Å; K317-F319 VanDerWaalsContact C-N 3.3Å; K317-F319 PolarHBondContact O-N 2.95Å; K317-I320 WeakPolarHBondContact O-CB 3.33Å; K317-I320 PolarHBondContact O-N 2.92Å; K317-I320 VanDerWaalsContact O-N 3.11Å; K317-A321 PolarHBondContact O-N 3.31Å |
| 318 | V | 98.1 | Very high | 95.9 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | -176.8 | 175.3 | 0 | 0 | 0 | 0 | 111.4 | R306 I313 A315 I320 A321 Q322 | R306-V318 HydrophobicContact CB-CG1 4.2Å; R306-V318 HydrophobicContact CG-CG1 4.07Å; I313-V318 HydrophobicContact CD1-CG2 4.26Å; I313-V318 HydrophobicContact CG1-CG2 4.18Å; A315-V318 WeakPolarHBondContact O-CB 3.23Å; A315-V318 WeakPolarHBondContact O-CG2 3.41Å; A315-V318 PolarHBondContact O-N 3.45Å; A315-V318 VanDerWaalsContact O-N 3.12Å; V318-I320 VanDerWaalsContact C-N 3.26Å; V318-I320 PolarHBondContact O-N 3.19Å; V318-A321 PolarHBondContact O-N 3.04Å; V318-A321 VanDerWaalsContact O-N 3.13Å; V318-Q322 PolarHBondContact O-N 3.4Å |
| 319 | F | 98.3 | Very high | 96.2 | Very high | 119 Ų | 119 | 46.4 Ų | 46.4 | 52% | 0.522 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.2 | -32.5 | 178.8 | 83.3 | -90.4 | 0 | 0 | 0 | 112.6 | E316 K317 K323 | E316-F319 VanDerWaalsContact O-CD1 3.25Å; E316-F319 WeakPolarHBondContact O-CD1 3.4Å; E316-F319 WeakPolarHBondContact O-CE1 3.42Å; K317-F319 VanDerWaalsContact C-N 3.3Å; K317-F319 PolarHBondContact O-N 2.95Å; F319-K323 HydrophobicContact CD2-CD 4.45Å; F319-K323 WeakPolarHBondContact O-CG 3.32Å; F319-K323 PolarHBondContact O-N 3.4Å |
| 320 | I | 98.7 | Very high | 96.4 | Very high | 97 Ų | 97 | 47 Ų | 47 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 175.6 | -58.1 | 175 | 0 | 0 | 0 | 109.2 | K317 V318 M324 | K317-I320 WeakPolarHBondContact O-CB 3.33Å; K317-I320 PolarHBondContact O-N 2.92Å; K317-I320 VanDerWaalsContact O-N 3.11Å; V318-I320 VanDerWaalsContact C-N 3.26Å; V318-I320 PolarHBondContact O-N 3.19Å; I320-M324 VanDerWaalsContact O-CB 3.23Å; I320-M324 WeakPolarHBondContact O-CB 3.43Å; I320-M324 PolarHBondContact O-N 2.83Å |
| 321 | A | 98.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V289 L309 I313 K317 V318 M324 M325 | V289-A321 HydrophobicContact CG2-CB 4.4Å; L309-A321 HydrophobicContact CD2-CB 4.11Å; I313-A321 HydrophobicContact CD1-CB 4.15Å; K317-A321 PolarHBondContact O-N 3.31Å; V318-A321 PolarHBondContact O-N 3.04Å; V318-A321 VanDerWaalsContact O-N 3.13Å; A321-M324 PolarHBondContact O-N 3.47Å; A321-M325 HydrophobicContact CB-CE 4Å; A321-M325 WeakPolarHBondContact O-CB 3.4Å; A321-M325 WeakPolarHBondContact O-CE 3.29Å; A321-M325 VanDerWaalsContact O-CG 3.26Å; A321-M325 WeakPolarHBondContact O-CG 3.48Å; A321-M325 PolarHBondContact O-N 2.82Å |
| 322 | Q | 98.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 48.9 Ų | 48.9 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56 | -56.9 | 175.3 | 176.2 | 179.3 | -56.4 | 0 | 0 | 111.5 | V304 V318 M324 M325 I326 C338 D366 | V304-Q322 HydrophobicContact CG1-CB 3.99Å; V304-Q322 HydrophobicContact CG1-CG 4.23Å; V318-Q322 PolarHBondContact O-N 3.4Å; Q322-M324 VanDerWaalsContact C-N 3.29Å; Q322-M324 PolarHBondContact O-N 3.27Å; Q322-M325 PolarHBondContact O-N 2.92Å; Q322-I326 HydrophobicContact CG-CD1 3.68Å; Q322-I326 HydrophobicContact CG-CG1 4.47Å; Q322-I326 WeakPolarHBondContact O-CG1 3.32Å; Q322-I326 PolarHBondContact O-N 2.97Å; Q322-C338 PolarHBondContact OE1-SG 3.14Å; Q322-C338 VanDerWaalsContact OE1-SG 3.41Å; Q322-D366 PolarHBondContact NE2-OD2 3.24Å |
| 323 | K | 98.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 48.7 Ų | 48.7 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | -178.4 | -71.6 | -176.6 | -174.1 | -56.2 | 0 | 111.8 | F319 G327 D366 | F319-K323 HydrophobicContact CD2-CD 4.45Å; F319-K323 WeakPolarHBondContact O-CG 3.32Å; F319-K323 PolarHBondContact O-N 3.4Å; K323-G327 PolarHBondContact O-N 3.38Å; K323-D366 WeakPolarHBondContact CG-OD2 3.45Å; K323-D366 IonicContact NZ-OD1 3.49Å; K323-D366 PolarHBondContact NZ-OD1 3.02Å; K323-D366 IonicContact NZ-OD2 3.81Å; K323-D366 PolarHBondContact NZ-OD2 3.33Å |
| 324 | M | 98.8 | Very high | 97.5 | Very high | 47 Ų | 47 | 50 Ų | 50 | 23% | 0.232 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.3 | -49.5 | 176.3 | 179.1 | -81.2 | -69.4 | 0 | 0 | 111.9 | V289 F292 I320 A321 Q322 G327 R328 | V289-M324 HydrophobicContact CG1-CE 3.81Å; F292-M324 HydrophobicContact CD1-SD 4.1Å; F292-M324 HydrophobicContact CG-CE 4.48Å; F292-M324 HydrophobicContact CG-SD 4.42Å; I320-M324 VanDerWaalsContact O-CB 3.23Å; I320-M324 WeakPolarHBondContact O-CB 3.43Å; I320-M324 PolarHBondContact O-N 2.83Å; A321-M324 PolarHBondContact O-N 3.47Å; Q322-M324 VanDerWaalsContact C-N 3.29Å; Q322-M324 PolarHBondContact O-N 3.27Å; M324-G327 PolarHBondContact O-N 3.21Å; M324-R328 WeakPolarHBondContact O-CG 3.31Å; M324-R328 PolarHBondContact O-N 3.1Å; M324-R328 WeakPolarHBondContact SD-CD 3.28Å; M324-R328 HydrophobicContact SD-CG 4.38Å; M324-R328 VanDerWaalsContact SD-CZ 3.55Å; M324-R328 PolarHBondContact SD-NE 2.71Å; M324-R328 VanDerWaalsContact SD-NE 3.37Å |
| 325 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | -178.5 | -70.7 | -172.5 | -83.7 | 0 | 0 | 111.8 | V283 F292 V304 L309 A321 Q322 R328 C329 | V283-M325 HydrophobicContact CB-SD 3.67Å; V283-M325 HydrophobicContact CG1-CE 4.38Å; V283-M325 HydrophobicContact CG1-SD 3.58Å; V283-M325 VanDerWaalsContact CG1-SD 3.58Å; V283-M325 HydrophobicContact CG2-SD 4.25Å; F292-M325 HydrophobicContact CD1-CG 4.45Å; F292-M325 HydrophobicContact CD2-CG 3.64Å; F292-M325 HydrophobicContact CD2-SD 3.81Å; F292-M325 HydrophobicContact CE1-CB 4.3Å; F292-M325 HydrophobicContact CE1-CG 4.21Å; F292-M325 HydrophobicContact CE2-CB 3.81Å; F292-M325 HydrophobicContact CE2-CG 3.36Å; F292-M325 HydrophobicContact CE2-SD 3.59Å; F292-M325 VanDerWaalsContact CE2-SD 3.59Å; F292-M325 HydrophobicContact CG-CG 4.18Å; F292-M325 HydrophobicContact CZ-CB 3.66Å; F292-M325 HydrophobicContact CZ-CG 3.66Å; F292-M325 HydrophobicContact CZ-SD 4.41Å; V304-M325 HydrophobicContact CB-CE 4.18Å; V304-M325 HydrophobicContact CG1-CE 3.67Å; V304-M325 HydrophobicContact CG2-CB 3.97Å; V304-M325 HydrophobicContact CG2-CE 3.84Å; V304-M325 HydrophobicContact CG2-SD 4.26Å; L309-M325 HydrophobicContact CD2-CE 3.94Å; A321-M325 HydrophobicContact CB-CE 4Å; A321-M325 WeakPolarHBondContact O-CB 3.4Å; A321-M325 WeakPolarHBondContact O-CE 3.29Å; A321-M325 VanDerWaalsContact O-CG 3.26Å; A321-M325 WeakPolarHBondContact O-CG 3.48Å; A321-M325 PolarHBondContact O-N 2.82Å; Q322-M325 PolarHBondContact O-N 2.92Å; M325-R328 PolarHBondContact O-N 2.86Å; M325-C329 WeakPolarHBondContact O-CB 3.35Å; M325-C329 PolarHBondContact O-N 3.43Å; M325-C329 PolarHBondContact O-SG 3.22Å |
| 326 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.4 | -49 | 176.5 | -67.1 | 172.2 | 0 | 0 | 0 | 110.6 | Q322 R328 C329 N330 V336 D366 A368 | Q322-I326 HydrophobicContact CG-CD1 3.68Å; Q322-I326 HydrophobicContact CG-CG1 4.47Å; Q322-I326 WeakPolarHBondContact O-CG1 3.32Å; Q322-I326 PolarHBondContact O-N 2.97Å; I326-R328 VanDerWaalsContact C-N 3.35Å; I326-R328 PolarHBondContact O-N 3.47Å; I326-C329 PolarHBondContact O-N 3.4Å; I326-N330 WeakPolarHBondContact O-CB 3.31Å; I326-N330 PolarHBondContact O-N 2.84Å; I326-N330 PolarHBondContact O-ND2 3.35Å; I326-N330 PolarHBondContact O-OD1 3.17Å; I326-V336 HydrophobicContact CB-CG1 4.21Å; I326-V336 HydrophobicContact CG1-CG1 4.02Å; I326-V336 HydrophobicContact CG1-CG2 3.86Å; I326-V336 HydrophobicContact CG2-CG1 3.97Å; I326-D366 HydrophobicContact CD1-CB 3.89Å; I326-D366 HydrophobicContact CG2-CB 4.28Å; I326-D366 WeakPolarHBondContact CG2-O 3.37Å; I326-A368 HydrophobicContact CD1-CB 4.26Å |
| 327 | G | 98.7 | Very high | 98.4 | Very high | 38 Ų | 38 | 37.9 Ų | 37.9 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59 | -43.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K323 M324 N330 S331 | K323-G327 PolarHBondContact O-N 3.38Å; M324-G327 PolarHBondContact O-N 3.21Å; G327-N330 PolarHBondContact O-N 2.66Å; G327-S331 WeakPolarHBondContact O-CB 3.5Å; G327-S331 PolarHBondContact O-N 2.97Å |
| 328 | R | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 32.7 Ų | 32.7 | 36% | 0.355 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 177.4 | -73.3 | 179.9 | -176.4 | -166.7 | 8.6 | 112.7 | F292 E293 L296 M324 M325 I326 S331 A332 | F292-R328 HydrophobicContact CD1-CB 4.26Å; F292-R328 HydrophobicContact CE1-CB 3.65Å; F292-R328 HydrophobicContact CE1-CG 4.41Å; E293-R328 WeakPolarHBondContact OE1-CD 3.45Å; E293-R328 IonicContact OE1-CZ 3.98Å; E293-R328 IonicContact OE1-NE 3.81Å; E293-R328 PolarHBondContact OE1-NE 3.39Å; E293-R328 VanDerWaalsContact OE1-NE 3.1Å; E293-R328 IonicContact OE1-NH1 3.68Å; E293-R328 PolarHBondContact OE1-NH1 3.24Å; E293-R328 IonicContact OE1-NH2 3.39Å; L296-R328 HydrophobicContact CD2-CB 4.2Å; M324-R328 WeakPolarHBondContact O-CG 3.31Å; M324-R328 PolarHBondContact O-N 3.1Å; M324-R328 WeakPolarHBondContact SD-CD 3.28Å; M324-R328 HydrophobicContact SD-CG 4.38Å; M324-R328 VanDerWaalsContact SD-CZ 3.55Å; M324-R328 PolarHBondContact SD-NE 2.71Å; M324-R328 VanDerWaalsContact SD-NE 3.37Å; M325-R328 PolarHBondContact O-N 2.86Å; I326-R328 VanDerWaalsContact C-N 3.35Å; I326-R328 PolarHBondContact O-N 3.47Å; R328-S331 PolarHBondContact O-N 3.16Å; R328-A332 WeakPolarHBondContact O-CB 3.48Å; R328-A332 PolarHBondContact O-N 2.94Å |
| 329 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 173.4 | -76.6 | 0 | 0 | 0 | 0 | 112.3 | M325 I326 S331 A332 G333 K334 V336 | M325-C329 WeakPolarHBondContact O-CB 3.35Å; M325-C329 PolarHBondContact O-N 3.43Å; M325-C329 PolarHBondContact O-SG 3.22Å; I326-C329 PolarHBondContact O-N 3.4Å; C329-S331 VanDerWaalsContact C-N 3.34Å; C329-S331 PolarHBondContact O-N 3.45Å; C329-A332 CarbonylContact O-C 3.58Å; C329-A332 PolarHBondContact O-N 3.34Å; C329-G333 WeakPolarHBondContact O-CA 3.44Å; C329-G333 PolarHBondContact O-N 3.13Å; C329-K334 WeakPolarHBondContact CB-O 3.37Å; C329-K334 PolarHBondContact O-N 3.33Å; C329-V336 HydrophobicContact CB-CB 3.58Å; C329-V336 HydrophobicContact CB-CG1 3.91Å; C329-V336 HydrophobicContact CB-CG2 4.2Å |
| 330 | N | 98.6 | Very high | 98.1 | Very high | 14 Ų | 14 | 27.9 Ų | 27.9 | 8% | 0.075 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 176.2 | -66 | -10.4 | 0 | 0 | 0 | 111 | I326 G327 A332 G333 D366 G367 L410 R457 | I326-N330 WeakPolarHBondContact O-CB 3.31Å; I326-N330 PolarHBondContact O-N 2.84Å; I326-N330 PolarHBondContact O-ND2 3.35Å; I326-N330 PolarHBondContact O-OD1 3.17Å; G327-N330 PolarHBondContact O-N 2.66Å; N330-A332 PolarHBondContact O-N 3.36Å; N330-G333 PolarHBondContact O-N 3.2Å; N330-D366 PolarHBondContact ND2-O 2.98Å; N330-G367 PolarHBondContact ND2-O 3.13Å; N330-G367 PolarHBondContact OD1-O 3.22Å; N330-G367 VanDerWaalsContact OD1-O 3.12Å; N330-L410 HydrophobicContact CB-CD2 4.33Å; N330-R457 PolarHBondContact OD1-NH2 3.49Å |
| 331 | S | 97.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 29 Ų | 29 | 31% | 0.308 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.3 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | G327 R328 C329 G333 R455 | G327-S331 WeakPolarHBondContact O-CB 3.5Å; G327-S331 PolarHBondContact O-N 2.97Å; R328-S331 PolarHBondContact O-N 3.16Å; C329-S331 VanDerWaalsContact C-N 3.34Å; C329-S331 PolarHBondContact O-N 3.45Å; S331-G333 PolarHBondContact O-N 2.83Å; S331-R455 PolarHBondContact O-NH2 3.06Å |
| 332 | A | 97 | Very high | 97.7 | Very high | 45 Ų | 45 | 28.6 Ų | 28.6 | 37% | 0.372 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -72 | -12.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L296 R328 C329 N330 K334 | L296-A332 HydrophobicContact CD2-CB 3.91Å; L296-A332 HydrophobicContact CG-CB 4.4Å; R328-A332 WeakPolarHBondContact O-CB 3.48Å; R328-A332 PolarHBondContact O-N 2.94Å; C329-A332 CarbonylContact O-C 3.58Å; C329-A332 PolarHBondContact O-N 3.34Å; N330-A332 PolarHBondContact O-N 3.36Å; A332-K334 HydrophobicContact CB-CG 4.39Å |
| 333 | G | 97.4 | Very high | 97.7 | Very high | 10 Ų | 10 | 28.1 Ų | 28.1 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 46.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C329 N330 S331 H451 | C329-G333 WeakPolarHBondContact O-CA 3.44Å; C329-G333 PolarHBondContact O-N 3.13Å; N330-G333 PolarHBondContact O-N 3.2Å; S331-G333 PolarHBondContact O-N 2.83Å; G333-H451 PolarHBondContact O-CE1 2.86Å; G333-H451 PolarHBondContact O-NE2 3.02Å |
| 334 | K | 98.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 21% | 0.213 | 15% | 0.152 | C | C | . | . | trans | -118.3 | 140.9 | 172.9 | -68.4 | -171.2 | 177.5 | -171.4 | 0 | 109.7 | L296 A297 S299 C329 A332 V336 | L296-K334 HydrophobicContact CD1-CB 4.1Å; L296-K334 HydrophobicContact CD1-CD 3.83Å; L296-K334 HydrophobicContact CD1-CG 4.46Å; L296-K334 HydrophobicContact CG-CD 4.45Å; L296-K334 WeakPolarHBondContact O-CD 3.4Å; L296-K334 PolarHBondContact O-NZ 3.36Å; A297-K334 PolarHBondContact O-NZ 3.33Å; S299-K334 WeakPolarHBondContact O-CD 3.37Å; S299-K334 WeakPolarHBondContact O-CE 3.49Å; S299-K334 PolarHBondContact O-NZ 3.09Å; C329-K334 WeakPolarHBondContact CB-O 3.37Å; C329-K334 PolarHBondContact O-N 3.33Å; A332-K334 HydrophobicContact CB-CG 4.39Å; K334-V336 PolarHBondContact O-N 3.48Å | ||
| 335 | P | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 26 Ų | 26 | 5% | 0.045 | 15% | 0.148 | C | C | . | . | trans | -53.1 | 137.8 | 178.6 | -30.5 | 36.8 | 0 | 0 | 0 | 113.6 | D300 G301 V302 D369 L477 L478 | D300-P335 WeakPolarHBondContact O-CD 3.32Å; G301-P335 CarbonylContact C-O 3.59Å; G301-P335 WeakPolarHBondContact CA-O 3.45Å; V302-P335 PolarHBondContact N-O 3.16Å; P335-D369 WeakPolarHBondContact CA-OD2 3.35Å; P335-L477 HydrophobicContact CB-CB 4.1Å; P335-L477 WeakPolarHBondContact CB-O 3.26Å; P335-L477 HydrophobicContact CG-CB 4Å; P335-L478 HydrophobicContact CG-CD2 3.9Å | ||
| 336 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 133.4 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 112.5 | V302 V304 I326 C329 K334 D369 C370 | V302-V336 CarbonylContact O-C 3.57Å; V302-V336 VanDerWaalsContact O-CA 3.29Å; V302-V336 WeakPolarHBondContact O-CA 3.38Å; V304-V336 HydrophobicContact CG2-CG2 4.16Å; I326-V336 HydrophobicContact CB-CG1 4.21Å; I326-V336 HydrophobicContact CG1-CG1 4.02Å; I326-V336 HydrophobicContact CG1-CG2 3.86Å; I326-V336 HydrophobicContact CG2-CG1 3.97Å; C329-V336 HydrophobicContact CB-CB 3.58Å; C329-V336 HydrophobicContact CB-CG1 3.91Å; C329-V336 HydrophobicContact CB-CG2 4.2Å; K334-V336 PolarHBondContact O-N 3.48Å; V336-D369 PolarHBondContact N-OD2 3Å; V336-D369 PolarHBondContact O-N 3.07Å; V336-C370 PolarHBondContact O-N 3.1Å |
| 337 | I | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.6 | -177.8 | -51.5 | 170.6 | 0 | 0 | 0 | 109 | I59 F253 I280 V302 M303 V304 A339 C370 M372 L477 | I59-I337 HydrophobicContact CD1-CB 4.34Å; I59-I337 HydrophobicContact CD1-CD1 3.61Å; I59-I337 HydrophobicContact CD1-CG1 3.94Å; I59-I337 HydrophobicContact CD1-CG2 3.5Å; F253-I337 HydrophobicContact CD1-CD1 4.5Å; F253-I337 HydrophobicContact CE1-CD1 3.76Å; F253-I337 HydrophobicContact CZ-CD1 4.02Å; I280-I337 HydrophobicContact CG2-CD1 3.89Å; V302-I337 PolarHBondContact O-N 3.25Å; M303-I337 HydrophobicContact CB-CB 4.13Å; M303-I337 HydrophobicContact CB-CD1 4.45Å; M303-I337 HydrophobicContact CE-CB 4.45Å; M303-I337 HydrophobicContact CE-CD1 3.8Å; M303-I337 HydrophobicContact CE-CG2 4.14Å; M303-I337 HydrophobicContact CG-CB 4.05Å; M303-I337 HydrophobicContact CG-CG2 4.16Å; V304-I337 PolarHBondContact N-O 3.44Å; I337-A339 HydrophobicContact CG2-CB 4.46Å; I337-C370 WeakPolarHBondContact CA-O 3.48Å; I337-C370 HydrophobicContact CB-CB 4.43Å; I337-C370 HydrophobicContact CG1-CB 4.02Å; I337-C370 HydrophobicContact CG2-CB 4.18Å; I337-M372 HydrophobicContact CG2-CB 4.23Å; I337-L477 HydrophobicContact CD1-CD2 4.24Å |
| 338 | C | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | 165 | -168.1 | 0 | 0 | 0 | 0 | 109.3 | Q322 M342 A363 A368 C370 M372 | Q322-C338 PolarHBondContact OE1-SG 3.14Å; Q322-C338 VanDerWaalsContact OE1-SG 3.41Å; C338-M342 HydrophobicContact CB-CE 4.27Å; C338-M342 HydrophobicContact CB-SD 4.43Å; C338-M342 VanDerWaalsContact O-SD 3.34Å; C338-A363 HydrophobicContact CB-CB 3.79Å; C338-A368 HydrophobicContact CB-CB 4.18Å; C338-C370 PolarHBondContact N-O 2.82Å; C338-M372 PolarHBondContact O-N 3.21Å; C338-M372 VanDerWaalsContact O-N 3.15Å |
| 339 | A | 97.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 156.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M303 V304 R306 I337 M372 | M303-A339 HydrophobicContact CG-CB 3.69Å; M303-A339 HydrophobicContact SD-CB 3.69Å; V304-A339 PolarHBondContact O-N 2.96Å; R306-A339 WeakPolarHBondContact CB-O 3.15Å; R306-A339 WeakPolarHBondContact CG-O 3.35Å; R306-A339 PolarHBondContact NE-O 2.7Å; I337-A339 HydrophobicContact CG2-CB 4.46Å; A339-M372 HydrophobicContact CB-CB 4.06Å; A339-M372 HydrophobicContact CB-CE 3.55Å; A339-M372 HydrophobicContact CB-SD 4.2Å |
| 340 | T | 91.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 31.8 Ų | 31.8 | 22% | 0.215 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 75.7 | 131.2 | 171.5 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | R306 M342 | R306-T340 PolarHBondContact NE-O 2.71Å; R306-T340 PolarHBondContact NH2-O 2.83Å; T340-M342 PolarHBondContact O-N 2.91Å |
| 341 | Q | 92.3 | Very high | 97.2 | Very high | 120 Ų | 120 | 39.7 Ų | 39.7 | 56% | 0.561 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 55.4 | 31.1 | 176.6 | -67.2 | 177.6 | -13.9 | 0 | 0 | 115 | E344 | Q341-E344 HydrophobicContact CB-CB 4.12Å; Q341-E344 HydrophobicContact CG-CB 4.14Å; Q341-E344 HydrophobicContact CG-CG 4.1Å |
| 342 | M | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -71.5 | -38.1 | 179.5 | -65.6 | -166.4 | 80.7 | 0 | 0 | 111.5 | C338 T340 E356 V360 A363 V371 M390 | C338-M342 HydrophobicContact CB-CE 4.27Å; C338-M342 HydrophobicContact CB-SD 4.43Å; C338-M342 VanDerWaalsContact O-SD 3.34Å; T340-M342 PolarHBondContact O-N 2.91Å; M342-E356 WeakPolarHBondContact O-CA 3.19Å; M342-E356 VanDerWaalsContact O-CB 3.29Å; M342-E356 WeakPolarHBondContact O-CB 3.07Å; M342-V360 HydrophobicContact CB-CG2 4Å; M342-V360 HydrophobicContact CE-CB 4.32Å; M342-V360 HydrophobicContact CE-CG2 4.01Å; M342-A363 HydrophobicContact CE-CB 3.78Å; M342-V371 HydrophobicContact CE-CB 3.85Å; M342-V371 HydrophobicContact CE-CG1 3.61Å; M342-V371 HydrophobicContact SD-CB 3.75Å; M342-V371 HydrophobicContact SD-CG1 4.14Å; M342-M390 HydrophobicContact CB-CE 3.74Å; M342-M390 HydrophobicContact SD-CE 4.18Å |
| 343 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -133 | 39.5 | 176.5 | -60 | -178.9 | 0 | 0 | 0 | 110.7 | S345 M346 P352 E356 V360 L373 E376 A386 M389 M390 I393 | L343-S345 VanDerWaalsContact C-N 3.29Å; L343-S345 PolarHBondContact O-N 3.16Å; L343-S345 VanDerWaalsContact O-N 3.13Å; L343-M346 HydrophobicContact CB-CB 4.42Å; L343-M346 HydrophobicContact CB-CG 4.19Å; L343-M346 HydrophobicContact CB-SD 4.12Å; L343-M346 HydrophobicContact CD1-SD 3.92Å; L343-M346 HydrophobicContact CG-SD 4.46Å; L343-M346 WeakPolarHBondContact O-CA 3.29Å; L343-M346 VanDerWaalsContact O-CB 3.27Å; L343-M346 WeakPolarHBondContact O-CB 3.26Å; L343-M346 PolarHBondContact O-N 3.5Å; L343-P352 HydrophobicContact CD2-CB 3.85Å; L343-P352 HydrophobicContact CD2-CG 4.38Å; L343-E356 HydrophobicContact CD2-CB 4.04Å; L343-V360 HydrophobicContact CD2-CG2 3.78Å; L343-V360 HydrophobicContact CG-CG2 4.13Å; L343-L373 HydrophobicContact CB-CD2 4.11Å; L343-L373 HydrophobicContact CD1-CD2 4.04Å; L343-L373 HydrophobicContact CG-CD2 4.22Å; L343-E376 HydrophobicContact CB-CG 4.24Å; L343-E376 PolarHBondContact N-OE1 3.46Å; L343-E376 VanDerWaalsContact N-OE1 3.11Å; L343-E376 VanDerWaalsContact O-CG 3.26Å; L343-E376 WeakPolarHBondContact O-CG 3.38Å; L343-A386 WeakPolarHBondContact CD1-O 3.36Å; L343-M389 HydrophobicContact CD1-CB 4.17Å; L343-M389 HydrophobicContact CD1-CG 4.02Å; L343-M389 HydrophobicContact CD2-CG 4.45Å; L343-M390 HydrophobicContact CD1-CB 4.05Å; L343-M390 HydrophobicContact CD1-CE 4.05Å; L343-M390 HydrophobicContact CG-CE 4.03Å; L343-I393 HydrophobicContact CD2-CD1 4.26Å |
| 344 | E | 97.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 47 Ų | 47 | 32% | 0.318 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -51.7 | -41.5 | -168.3 | -173 | 61.2 | -154.5 | 0 | 0 | 113.8 | Q341 M346 V347 E356 | Q341-E344 HydrophobicContact CB-CB 4.12Å; Q341-E344 HydrophobicContact CG-CB 4.14Å; Q341-E344 HydrophobicContact CG-CG 4.1Å; E344-M346 PolarHBondContact O-N 3.4Å; E344-V347 WeakPolarHBondContact O-CB 3.25Å; E344-V347 VanDerWaalsContact O-CG2 3.22Å; E344-V347 WeakPolarHBondContact O-CG2 3.17Å; E344-V347 PolarHBondContact O-N 3.15Å; E344-E356 PolarHBondContact N-OE1 2.99Å |
| 345 | S | 97.9 | Very high | 97.3 | Very high | 23 Ų | 23 | 48.1 Ų | 48.1 | 16% | 0.161 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -59.9 | -22.6 | 179.2 | 75.8 | 0 | 0 | 0 | 0 | 113.2 | L343 V347 S348 H349 T353 E356 | L343-S345 VanDerWaalsContact C-N 3.29Å; L343-S345 PolarHBondContact O-N 3.16Å; L343-S345 VanDerWaalsContact O-N 3.13Å; S345-V347 PolarHBondContact O-N 3.35Å; S345-S348 PolarHBondContact O-N 3.08Å; S345-H349 WeakPolarHBondContact O-CB 3.32Å; S345-H349 PolarHBondContact O-N 3.44Å; S345-H349 PolarHBondContact O-ND1 2.87Å; S345-H349 VanDerWaalsContact O-ND1 3.12Å; S345-T353 PolarHBondContact OG-N 2.59Å; S345-E356 WeakPolarHBondContact CB-OE1 3.33Å; S345-E356 WeakPolarHBondContact CB-OE2 3.4Å; S345-E356 PolarHBondContact N-OE1 3.22Å; S345-E356 VanDerWaalsContact OG-CD 3.28Å; S345-E356 PolarHBondContact OG-OE1 3.26Å; S345-E356 PolarHBondContact OG-OE2 3.12Å |
| 346 | M | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -73.2 | -5.9 | 177.6 | -60.7 | -167.2 | 69 | 0 | 0 | 114.4 | L343 E344 S348 H349 A350 P352 E385 A386 M389 | L343-M346 HydrophobicContact CB-CB 4.42Å; L343-M346 HydrophobicContact CB-CG 4.19Å; L343-M346 HydrophobicContact CB-SD 4.12Å; L343-M346 HydrophobicContact CD1-SD 3.92Å; L343-M346 HydrophobicContact CG-SD 4.46Å; L343-M346 WeakPolarHBondContact O-CA 3.29Å; L343-M346 VanDerWaalsContact O-CB 3.27Å; L343-M346 WeakPolarHBondContact O-CB 3.26Å; L343-M346 PolarHBondContact O-N 3.5Å; E344-M346 PolarHBondContact O-N 3.4Å; M346-S348 PolarHBondContact O-N 3.03Å; M346-H349 WeakPolarHBondContact CA-O 3.43Å; M346-A350 WeakPolarHBondContact CE-O 3.29Å; M346-P352 HydrophobicContact CG-CB 3.96Å; M346-P352 HydrophobicContact SD-CB 3.9Å; M346-P352 HydrophobicContact SD-CG 4.1Å; M346-E385 HydrophobicContact CE-CB 3.92Å; M346-A386 HydrophobicContact CB-CB 4.37Å; M346-A386 HydrophobicContact CE-CB 4.34Å; M346-A386 HydrophobicContact SD-CB 4.42Å; M346-M389 HydrophobicContact CE-CB 4.26Å; M346-M389 HydrophobicContact SD-CB 4.05Å; M346-M389 HydrophobicContact SD-CG 4.01Å |
| 347 | V | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -57.6 | -39.2 | 166 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | E344 S345 E376 G380 Q381 | E344-V347 WeakPolarHBondContact O-CB 3.25Å; E344-V347 VanDerWaalsContact O-CG2 3.22Å; E344-V347 WeakPolarHBondContact O-CG2 3.17Å; E344-V347 PolarHBondContact O-N 3.15Å; S345-V347 PolarHBondContact O-N 3.35Å; V347-E376 HydrophobicContact CG2-CG 4.26Å; V347-G380 WeakPolarHBondContact O-CA 3.5Å; V347-Q381 PolarHBondContact O-N 3.43Å |
| 348 | S | 97.5 | Very high | 97.3 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121 | -6.9 | -175.1 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | S345 M346 | S345-S348 PolarHBondContact O-N 3.08Å; M346-S348 PolarHBondContact O-N 3.03Å |
| 349 | H | 97.4 | Very high | 97.3 | Very high | 112 Ų | 112 | 55.3 Ų | 55.3 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -129 | 148.3 | -178.6 | -57.2 | 84.2 | 0 | 0 | 0 | 112.1 | S345 M346 R351 F382 | S345-H349 WeakPolarHBondContact O-CB 3.32Å; S345-H349 PolarHBondContact O-N 3.44Å; S345-H349 PolarHBondContact O-ND1 2.87Å; S345-H349 VanDerWaalsContact O-ND1 3.12Å; M346-H349 WeakPolarHBondContact CA-O 3.43Å; H349-R351 PolarHBondContact O-N 3.43Å; H349-F382 VanDerWaalsContact O-CD2 3.32Å; H349-F382 WeakPolarHBondContact O-CD2 3.47Å |
| 350 | A | 95.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 55.3 Ų | 55.3 | 44% | 0.438 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -76 | -6.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M346 F382 | M346-A350 WeakPolarHBondContact CE-O 3.29Å; A350-F382 HydrophobicContact CB-CD1 3.9Å; A350-F382 HydrophobicContact CB-CE1 3.8Å; A350-F382 HydrophobicContact CB-CE2 4.43Å; A350-F382 HydrophobicContact CB-CG 4.26Å; A350-F382 HydrophobicContact CB-CZ 4.08Å |
| 351 | R | 97 | Very high | 97.7 | Very high | 180 Ų | 180 | 54.7 Ų | 54.7 | 68% | 0.679 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -137.8 | 144.3 | -179.5 | -67.2 | -161.9 | -67.5 | 176.9 | -4.9 | 110.8 | H349 | H349-R351 PolarHBondContact O-N 3.43Š|
| 352 | P | 98.3 | Very high | 98 | Very high | 9 Ų | 9 | 52 Ų | 52 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | trans | -78.1 | 165.6 | 178.2 | 36 | -37.9 | 0 | 0 | 0 | 111.8 | L343 M346 E356 S357 M389 | L343-P352 HydrophobicContact CD2-CB 3.85Å; L343-P352 HydrophobicContact CD2-CG 4.38Å; M346-P352 HydrophobicContact CG-CB 3.96Å; M346-P352 HydrophobicContact SD-CB 3.9Å; M346-P352 HydrophobicContact SD-CG 4.1Å; P352-E356 VanDerWaalsContact CA-OE2 3.25Å; P352-E356 WeakPolarHBondContact CA-OE2 3.49Å; P352-E356 HydrophobicContact CB-CB 4.01Å; P352-E356 VanDerWaalsContact CB-OE2 3.29Å; P352-E356 WeakPolarHBondContact CB-OE2 3.26Å; P352-S357 WeakPolarHBondContact CG-OG 3.27Å; P352-M389 HydrophobicContact CG-CE 4.19Å; P352-M389 HydrophobicContact CG-CG 3.8Å; P352-M389 HydrophobicContact CG-SD 3.98Å | ||
| 353 | T | 98.5 | Very high | 98.1 | Very high | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | trans | -70.4 | 164.9 | 165.4 | 75.1 | 0 | 0 | 0 | 0 | 110.8 | S345 A355 E356 S357 | S345-T353 PolarHBondContact OG-N 2.59Å; T353-A355 VanDerWaalsContact C-N 3.28Å; T353-A355 PolarHBondContact O-N 3.19Å; T353-A355 PolarHBondContact OG1-N 2.78Å; T353-E356 PolarHBondContact N-OE2 3.4Å; T353-E356 PolarHBondContact O-N 3.06Å; T353-E356 WeakPolarHBondContact OG1-CG 3.47Å; T353-E356 PolarHBondContact OG1-N 2.86Å; T353-E356 VanDerWaalsContact OG1-N 3.17Å; T353-S357 PolarHBondContact O-N 3.13Å; T353-S357 PolarHBondContact O-OG 2.9Å | ||
| 354 | R | 98.4 | Very high | 98.1 | Very high | 182 Ų | 182 | 52 Ų | 52 | 69% | 0.687 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.1 | -32.7 | 175 | -56.2 | -59.5 | 173.5 | -103.6 | -1.2 | 112.2 | S358 | R354-S358 WeakPolarHBondContact O-CB 3.22Å; R354-S358 PolarHBondContact O-N 3.43Å |
| 355 | A | 98.4 | Very high | 98.2 | Very high | 73 Ų | 73 | 52.3 Ų | 52.3 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T353 S358 D359 | T353-A355 VanDerWaalsContact C-N 3.28Å; T353-A355 PolarHBondContact O-N 3.19Å; T353-A355 PolarHBondContact OG1-N 2.78Å; A355-S358 WeakPolarHBondContact O-CB 3.35Å; A355-S358 PolarHBondContact O-N 3.41Å; A355-D359 WeakPolarHBondContact O-CB 3.44Å; A355-D359 PolarHBondContact O-N 2.73Å |
| 356 | E | 98.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 53.1 Ų | 53.1 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176.8 | -76 | 165.9 | -179.1 | 0 | 0 | 112.2 | M342 L343 E344 S345 P352 T353 S358 D359 V360 | M342-E356 WeakPolarHBondContact O-CA 3.19Å; M342-E356 VanDerWaalsContact O-CB 3.29Å; M342-E356 WeakPolarHBondContact O-CB 3.07Å; L343-E356 HydrophobicContact CD2-CB 4.04Å; E344-E356 PolarHBondContact N-OE1 2.99Å; S345-E356 WeakPolarHBondContact CB-OE1 3.33Å; S345-E356 WeakPolarHBondContact CB-OE2 3.4Å; S345-E356 PolarHBondContact N-OE1 3.22Å; S345-E356 VanDerWaalsContact OG-CD 3.28Å; S345-E356 PolarHBondContact OG-OE1 3.26Å; S345-E356 PolarHBondContact OG-OE2 3.12Å; P352-E356 VanDerWaalsContact CA-OE2 3.25Å; P352-E356 WeakPolarHBondContact CA-OE2 3.49Å; P352-E356 HydrophobicContact CB-CB 4.01Å; P352-E356 VanDerWaalsContact CB-OE2 3.29Å; P352-E356 WeakPolarHBondContact CB-OE2 3.26Å; T353-E356 PolarHBondContact N-OE2 3.4Å; T353-E356 PolarHBondContact O-N 3.06Å; T353-E356 WeakPolarHBondContact OG1-CG 3.47Å; T353-E356 PolarHBondContact OG1-N 2.86Å; T353-E356 VanDerWaalsContact OG1-N 3.17Å; E356-S358 VanDerWaalsContact C-N 3.31Å; E356-S358 PolarHBondContact O-N 2.65Å; E356-D359 PolarHBondContact O-N 3.23Å; E356-V360 WeakPolarHBondContact O-CG2 3.41Å; E356-V360 PolarHBondContact O-N 3.11Å |
| 357 | S | 98.4 | Very high | 98.3 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 174.4 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | P352 T353 A361 | P352-S357 WeakPolarHBondContact CG-OG 3.27Å; T353-S357 PolarHBondContact O-N 3.13Å; T353-S357 PolarHBondContact O-OG 2.9Å; S357-A361 WeakPolarHBondContact O-CB 3.4Å; S357-A361 PolarHBondContact O-N 3.17Å; S357-A361 VanDerWaalsContact O-N 3.13Å |
| 358 | S | 98.7 | Very high | 98.3 | Very high | 63 Ų | 63 | 51.9 Ų | 51.9 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -38.6 | 175.6 | -176.6 | 0 | 0 | 0 | 0 | 112 | R354 A355 E356 A361 N362 | R354-S358 WeakPolarHBondContact O-CB 3.22Å; R354-S358 PolarHBondContact O-N 3.43Å; A355-S358 WeakPolarHBondContact O-CB 3.35Å; A355-S358 PolarHBondContact O-N 3.41Å; E356-S358 VanDerWaalsContact C-N 3.31Å; E356-S358 PolarHBondContact O-N 2.65Å; S358-A361 PolarHBondContact O-N 2.95Å; S358-N362 WeakPolarHBondContact O-CB 3.39Å; S358-N362 PolarHBondContact O-N 2.65Å; S358-N362 PolarHBondContact O-ND2 2.98Å; S358-N362 PolarHBondContact OG-ND2 2.62Å |
| 359 | D | 98.8 | Very high | 98.4 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -48.3 | 179.7 | -178.3 | 51.7 | 0 | 0 | 0 | 111.4 | R306 A355 E356 A361 N362 A363 | R306-D359 IonicContact CZ-OD1 3.92Å; R306-D359 IonicContact CZ-OD2 3.88Å; R306-D359 VanDerWaalsContact CZ-OD2 3.27Å; R306-D359 IonicContact NH1-OD1 3.15Å; R306-D359 PolarHBondContact NH1-OD1 2.7Å; R306-D359 IonicContact NH1-OD2 2.71Å; R306-D359 PolarHBondContact NH1-OD2 3.07Å; R306-D359 IonicContact NH2-OD1 2.66Å; R306-D359 IonicContact NH2-OD2 2.71Å; R306-D359 PolarHBondContact NH2-OD2 3.08Å; A355-D359 WeakPolarHBondContact O-CB 3.44Å; A355-D359 PolarHBondContact O-N 2.73Å; E356-D359 PolarHBondContact O-N 3.23Å; D359-A361 PolarHBondContact O-N 3.02Å; D359-N362 PolarHBondContact O-N 3.27Å; D359-A363 PolarHBondContact O-N 2.9Å |
| 360 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.5 | 175.8 | 0 | 0 | 0 | 0 | 111.2 | M342 L343 E356 N362 A363 V364 M390 I393 | M342-V360 HydrophobicContact CB-CG2 4Å; M342-V360 HydrophobicContact CE-CB 4.32Å; M342-V360 HydrophobicContact CE-CG2 4.01Å; L343-V360 HydrophobicContact CD2-CG2 3.78Å; L343-V360 HydrophobicContact CG-CG2 4.13Å; E356-V360 WeakPolarHBondContact O-CG2 3.41Å; E356-V360 PolarHBondContact O-N 3.11Å; V360-N362 VanDerWaalsContact C-N 3.34Å; V360-N362 PolarHBondContact O-N 3.18Å; V360-A363 PolarHBondContact O-N 2.87Å; V360-V364 PolarHBondContact O-N 2.84Å; V360-M390 HydrophobicContact CB-SD 4.11Å; V360-M390 HydrophobicContact CG1-SD 3.32Å; V360-M390 WeakPolarHBondContact CG1-SD 3.4Å; V360-M390 HydrophobicContact CG2-CE 3.91Å; V360-M390 HydrophobicContact CG2-SD 3.57Å; V360-M390 VanDerWaalsContact CG2-SD 3.57Å; V360-I393 HydrophobicContact CB-CB 4.43Å; V360-I393 HydrophobicContact CB-CD1 4.26Å; V360-I393 HydrophobicContact CB-CG2 3.84Å; V360-I393 HydrophobicContact CG1-CB 3.89Å; V360-I393 HydrophobicContact CG1-CD1 4.4Å; V360-I393 HydrophobicContact CG1-CG2 3.58Å; V360-I393 HydrophobicContact CG2-CD1 4.47Å |
| 361 | A | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 41.6 Ų | 41.6 | 19% | 0.19 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -44.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S357 S358 D359 A363 V364 L365 I393 A397 | S357-A361 WeakPolarHBondContact O-CB 3.4Å; S357-A361 PolarHBondContact O-N 3.17Å; S357-A361 VanDerWaalsContact O-N 3.13Å; S358-A361 PolarHBondContact O-N 2.95Å; D359-A361 PolarHBondContact O-N 3.02Å; A361-A363 PolarHBondContact O-N 2.94Å; A361-V364 PolarHBondContact O-N 2.87Å; A361-L365 VanDerWaalsContact O-CG 3.29Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 2.71Å; A361-I393 HydrophobicContact CB-CG2 3.83Å; A361-A397 HydrophobicContact CB-CB 4.12Å |
| 362 | N | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 34% | 0.342 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.2 | -33.7 | 179.7 | -81.8 | -82.4 | 0 | 0 | 0 | 112.8 | S358 D359 V360 V364 L365 D366 | S358-N362 WeakPolarHBondContact O-CB 3.39Å; S358-N362 PolarHBondContact O-N 2.65Å; S358-N362 PolarHBondContact O-ND2 2.98Å; S358-N362 PolarHBondContact OG-ND2 2.62Å; D359-N362 PolarHBondContact O-N 3.27Å; V360-N362 VanDerWaalsContact C-N 3.34Å; V360-N362 PolarHBondContact O-N 3.18Å; N362-V364 VanDerWaalsContact C-N 3.29Å; N362-V364 PolarHBondContact O-N 3.36Å; N362-L365 PolarHBondContact O-N 2.78Å; N362-D366 VanDerWaalsContact O-CB 3.27Å; N362-D366 WeakPolarHBondContact O-CB 3.5Å; N362-D366 PolarHBondContact O-N 3.4Å |
| 363 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C338 M342 D359 V360 A361 G367 A368 V371 | C338-A363 HydrophobicContact CB-CB 3.79Å; M342-A363 HydrophobicContact CE-CB 3.78Å; D359-A363 PolarHBondContact O-N 2.9Å; V360-A363 PolarHBondContact O-N 2.87Å; A361-A363 PolarHBondContact O-N 2.94Å; A363-G367 PolarHBondContact O-N 2.95Å; A363-A368 WeakPolarHBondContact O-CB 3.46Å; A363-A368 PolarHBondContact O-N 3.16Å; A363-V371 HydrophobicContact CB-CG1 4.37Å |
| 364 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -44.8 | 175.4 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | T56 V360 A361 N362 D366 G367 V371 C394 A397 E398 I401 | T56-V364 HydrophobicContact CG2-CG2 4.06Å; V360-V364 PolarHBondContact O-N 2.84Å; A361-V364 PolarHBondContact O-N 2.87Å; N362-V364 VanDerWaalsContact C-N 3.29Å; N362-V364 PolarHBondContact O-N 3.36Å; V364-D366 PolarHBondContact O-N 3.21Å; V364-G367 VanDerWaalsContact O-CA 3.29Å; V364-G367 WeakPolarHBondContact O-CA 3.41Å; V364-G367 PolarHBondContact O-N 2.99Å; V364-V371 HydrophobicContact CG2-CG1 4.28Å; V364-C394 HydrophobicContact CG2-CB 4.4Å; V364-A397 HydrophobicContact CB-CB 3.75Å; V364-A397 HydrophobicContact CG1-CB 3.71Å; V364-A397 HydrophobicContact CG2-CB 4.45Å; V364-E398 HydrophobicContact CG1-CG 3.97Å; V364-I401 HydrophobicContact CG1-CD1 4.45Å |
| 365 | L | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 22.6 Ų | 22.6 | 38% | 0.382 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -64.7 | -36.8 | 178.1 | -68 | 170.1 | 0 | 0 | 0 | 112.6 | A361 N362 G367 A397 A400 I401 | A361-L365 VanDerWaalsContact O-CG 3.29Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 2.71Å; N362-L365 PolarHBondContact O-N 2.78Å; L365-G367 PolarHBondContact O-N 3.13Å; L365-A397 WeakPolarHBondContact CD2-O 3.01Å; L365-A397 HydrophobicContact CG-CB 4.43Å; L365-A400 HydrophobicContact CD2-CB 4.25Å; L365-I401 HydrophobicContact CD2-CG1 3.88Å |
| 366 | D | 98.8 | Very high | 98.5 | Very high | 40 Ų | 40 | 19.1 Ų | 19.1 | 21% | 0.214 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -24.1 | 171.2 | -75.2 | -21.9 | 0 | 0 | 0 | 111.6 | Q322 K323 I326 N330 N362 V364 | Q322-D366 PolarHBondContact NE2-OD2 3.24Å; K323-D366 WeakPolarHBondContact CG-OD2 3.45Å; K323-D366 IonicContact NZ-OD1 3.49Å; K323-D366 PolarHBondContact NZ-OD1 3.02Å; K323-D366 IonicContact NZ-OD2 3.81Å; K323-D366 PolarHBondContact NZ-OD2 3.33Å; I326-D366 HydrophobicContact CD1-CB 3.89Å; I326-D366 HydrophobicContact CG2-CB 4.28Å; I326-D366 WeakPolarHBondContact CG2-O 3.37Å; N330-D366 PolarHBondContact ND2-O 2.98Å; N362-D366 VanDerWaalsContact O-CB 3.27Å; N362-D366 WeakPolarHBondContact O-CB 3.5Å; N362-D366 PolarHBondContact O-N 3.4Å; V364-D366 PolarHBondContact O-N 3.21Å |
| 367 | G | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104 | 31.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | N330 A363 V364 L365 R457 | N330-G367 PolarHBondContact ND2-O 3.13Å; N330-G367 PolarHBondContact OD1-O 3.22Å; N330-G367 VanDerWaalsContact OD1-O 3.12Å; A363-G367 PolarHBondContact O-N 2.95Å; V364-G367 VanDerWaalsContact O-CA 3.29Å; V364-G367 WeakPolarHBondContact O-CA 3.41Å; V364-G367 PolarHBondContact O-N 2.99Å; L365-G367 PolarHBondContact O-N 3.13Å; G367-R457 VanDerWaalsContact CA-NH1 3.28Å; G367-R457 VanDerWaalsContact O-CZ 3.26Å; G367-R457 PolarHBondContact O-NH1 2.99Å; G367-R457 PolarHBondContact O-NH2 3.47Å |
| 368 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -59.7 | 138.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I326 C338 A363 | I326-A368 HydrophobicContact CD1-CB 4.26Å; C338-A368 HydrophobicContact CB-CB 4.18Å; A363-A368 WeakPolarHBondContact O-CB 3.46Å; A363-A368 PolarHBondContact O-N 3.16Å | ||
| 369 | D | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 21.4 Ų | 21.4 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -81.3 | -31.8 | 173.7 | -60.1 | -84.4 | 0 | 0 | 0 | 111.8 | S57 P335 V336 R457 L477 R479 | S57-D369 PolarHBondContact N-O 3.15Å; P335-D369 WeakPolarHBondContact CA-OD2 3.35Å; V336-D369 PolarHBondContact N-OD2 3Å; V336-D369 PolarHBondContact O-N 3.07Å; D369-R457 IonicContact OD1-CZ 3.1Å; D369-R457 IonicContact OD1-NE 2.7Å; D369-R457 IonicContact OD1-NH2 2.81Å; D369-R457 PolarHBondContact OD1-NH2 3.44Å; D369-R457 IonicContact OD2-NH2 3.92Å; D369-R457 PolarHBondContact OD2-NH2 2.98Å; D369-L477 WeakPolarHBondContact CB-O 3.38Å; D369-R479 HydrophobicContact CB-CB 4.12Å; D369-R479 WeakPolarHBondContact OD1-CB 3.46Å; D369-R479 PolarHBondContact OD1-N 3.49Å |
| 370 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.4 | 174.6 | -46.3 | 0 | 0 | 0 | 0 | 112.2 | S57 I59 V336 I337 C338 | S57-C370 CarbonylContact O-C 3.48Å; S57-C370 WeakPolarHBondContact O-CA 3.48Å; S57-C370 WeakPolarHBondContact O-CB 3.26Å; I59-C370 HydrophobicContact CD1-CB 3.56Å; I59-C370 HydrophobicContact CG1-CB 4.12Å; V336-C370 PolarHBondContact O-N 3.1Å; I337-C370 WeakPolarHBondContact CA-O 3.48Å; I337-C370 HydrophobicContact CB-CB 4.43Å; I337-C370 HydrophobicContact CG1-CB 4.02Å; I337-C370 HydrophobicContact CG2-CB 4.18Å; C338-C370 PolarHBondContact N-O 2.82Å |
| 371 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.3 | 168.7 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | T56 S57 I58 I59 M342 A363 V364 M390 | T56-V371 HydrophobicContact CG2-CG1 4.17Å; T56-V371 HydrophobicContact CG2-CG2 4.26Å; S57-V371 PolarHBondContact O-N 2.88Å; I58-V371 WeakPolarHBondContact CA-O 3.43Å; I58-V371 HydrophobicContact CG1-CG2 4.02Å; I59-V371 PolarHBondContact N-O 3.08Å; M342-V371 HydrophobicContact CE-CB 3.85Å; M342-V371 HydrophobicContact CE-CG1 3.61Å; M342-V371 HydrophobicContact SD-CB 3.75Å; M342-V371 HydrophobicContact SD-CG1 4.14Å; A363-V371 HydrophobicContact CB-CG1 4.37Å; V364-V371 HydrophobicContact CG2-CG1 4.28Å; V371-M390 HydrophobicContact CB-CE 4.4Å; V371-M390 HydrophobicContact CB-SD 3.85Å; V371-M390 HydrophobicContact CG2-CE 4.34Å; V371-M390 HydrophobicContact CG2-CG 3.61Å; V371-M390 HydrophobicContact CG2-SD 3.4Å; V371-M390 WeakPolarHBondContact CG2-SD 3.37Å |
| 372 | M | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.2 | -169.4 | -172.5 | 173.5 | 92.8 | 0 | 0 | 113.7 | I59 R84 F253 M303 I337 C338 A339 S374 | I59-M372 HydrophobicContact CB-CB 4.04Å; I59-M372 HydrophobicContact CB-CG 3.82Å; I59-M372 HydrophobicContact CB-SD 4.47Å; I59-M372 HydrophobicContact CD1-CB 4.47Å; I59-M372 HydrophobicContact CG2-CB 4.47Å; I59-M372 HydrophobicContact CG2-CG 3.73Å; I59-M372 HydrophobicContact CG2-SD 3.92Å; I59-M372 WeakPolarHBondContact O-CA 3.48Å; R84-M372 WeakPolarHBondContact CD-SD 3.39Å; F253-M372 HydrophobicContact CE2-SD 4.44Å; M303-M372 HydrophobicContact CE-CE 4.36Å; M303-M372 HydrophobicContact CE-SD 3.69Å; M303-M372 HydrophobicContact SD-CE 4.05Å; M303-M372 HydrophobicContact SD-SD 4.14Å; I337-M372 HydrophobicContact CG2-CB 4.23Å; C338-M372 PolarHBondContact O-N 3.21Å; C338-M372 VanDerWaalsContact O-N 3.15Å; A339-M372 HydrophobicContact CB-CB 4.06Å; A339-M372 HydrophobicContact CB-CE 3.55Å; A339-M372 HydrophobicContact CB-SD 4.2Å; M372-S374 WeakPolarHBondContact CE-OG 3.09Å |
| 373 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.7 | 168.7 | -65.2 | 170.1 | 0 | 0 | 0 | 110.2 | I58 I59 T61 L343 E376 T377 A386 V387 M390 | I58-L373 HydrophobicContact CG2-CD1 4.44Å; I59-L373 PolarHBondContact O-N 3.11Å; T61-L373 WeakPolarHBondContact CB-O 3.28Å; T61-L373 PolarHBondContact N-O 3.23Å; T61-L373 PolarHBondContact OG1-O 3.13Å; L343-L373 HydrophobicContact CB-CD2 4.11Å; L343-L373 HydrophobicContact CD1-CD2 4.04Å; L343-L373 HydrophobicContact CG-CD2 4.22Å; L373-E376 HydrophobicContact CB-CB 4.35Å; L373-E376 HydrophobicContact CD2-CB 3.91Å; L373-E376 HydrophobicContact CD2-CG 3.91Å; L373-T377 HydrophobicContact CB-CG2 3.74Å; L373-T377 HydrophobicContact CD1-CG2 3.62Å; L373-T377 HydrophobicContact CG-CG2 4.29Å; L373-A386 HydrophobicContact CD1-CB 4.06Å; L373-A386 HydrophobicContact CD2-CB 4.44Å; L373-V387 HydrophobicContact CD1-CG2 4.06Å; L373-M390 HydrophobicContact CD1-CB 4.41Å; L373-M390 HydrophobicContact CD2-CE 3.45Å; L373-M390 VanDerWaalsContact CD2-CE 3.45Å; L373-M390 HydrophobicContact CG-CE 3.82Å |
| 374 | S | 96.9 | Very high | 98.2 | Very high | 20 Ų | 20 | 26.8 Ų | 26.8 | 14% | 0.14 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -109 | -94.3 | -177.1 | -70.9 | 0 | 0 | 0 | 0 | 110.8 | T61 M372 E376 A378 | T61-S374 WeakPolarHBondContact CB-O 3.43Å; T61-S374 WeakPolarHBondContact OG1-CA 3.2Å; M372-S374 WeakPolarHBondContact CE-OG 3.09Å; S374-E376 VanDerWaalsContact C-OE2 3.28Å; S374-E376 WeakPolarHBondContact CA-OE2 3.31Å; S374-E376 PolarHBondContact N-OE2 2.83Å; S374-E376 PolarHBondContact O-N 3.25Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.34Å; S374-A378 PolarHBondContact O-N 3.41Å |
| 375 | G | 95.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 31 Ų | 31 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.7 | -32.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T377 A378 K379 G380 | G375-T377 VanDerWaalsContact C-N 3.26Å; G375-T377 PolarHBondContact O-N 2.73Å; G375-A378 PolarHBondContact O-N 3.04Å; G375-K379 WeakPolarHBondContact O-CG 3.46Å; G375-K379 PolarHBondContact O-N 2.66Å; G375-G380 PolarHBondContact O-N 2.91Å |
| 376 | E | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -53.6 | -42.2 | -176.2 | -54.8 | 94.3 | 135.6 | 0 | 0 | 111.8 | L343 V347 L373 S374 G380 A386 | L343-E376 HydrophobicContact CB-CG 4.24Å; L343-E376 PolarHBondContact N-OE1 3.46Å; L343-E376 VanDerWaalsContact N-OE1 3.11Å; L343-E376 VanDerWaalsContact O-CG 3.26Å; L343-E376 WeakPolarHBondContact O-CG 3.38Å; V347-E376 HydrophobicContact CG2-CG 4.26Å; L373-E376 HydrophobicContact CB-CB 4.35Å; L373-E376 HydrophobicContact CD2-CB 3.91Å; L373-E376 HydrophobicContact CD2-CG 3.91Å; S374-E376 VanDerWaalsContact C-OE2 3.28Å; S374-E376 WeakPolarHBondContact CA-OE2 3.31Å; S374-E376 PolarHBondContact N-OE2 2.83Å; S374-E376 PolarHBondContact O-N 3.25Å; E376-G380 WeakPolarHBondContact O-CA 3.29Å; E376-A386 HydrophobicContact CB-CB 4.07Å |
| 377 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -101.5 | -24.4 | -180 | 57 | 0 | 0 | 0 | 0 | 113.9 | C60 T61 S66 M75 L373 G375 V387 | C60-T377 HydrophobicContact CB-CG2 4.14Å; T61-T377 PolarHBondContact N-OG1 2.86Å; T61-T377 VanDerWaalsContact N-OG1 3.14Å; T61-T377 CarbonylContact O-C 3.21Å; T61-T377 WeakPolarHBondContact O-CB 3.39Å; T61-T377 PolarHBondContact O-OG1 2.83Å; S66-T377 WeakPolarHBondContact CB-O 3.33Å; S66-T377 PolarHBondContact OG-O 3.46Å; M75-T377 HydrophobicContact CE-CG2 3.68Å; L373-T377 HydrophobicContact CB-CG2 3.74Å; L373-T377 HydrophobicContact CD1-CG2 3.62Å; L373-T377 HydrophobicContact CG-CG2 4.29Å; G375-T377 VanDerWaalsContact C-N 3.26Å; G375-T377 PolarHBondContact O-N 2.73Å; T377-V387 HydrophobicContact CG2-CG2 3.9Å |
| 378 | A | 97.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 27.4 Ų | 27.4 | 13% | 0.132 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -78 | -42.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T61 G63 P64 A65 S374 G375 | T61-A378 HydrophobicContact CG2-CB 3.87Å; T61-A378 WeakPolarHBondContact O-CA 3.44Å; T61-A378 PolarHBondContact O-N 3.31Å; G63-A378 CarbonylContact C-O 3.57Å; G63-A378 VanDerWaalsContact CA-O 3.3Å; G63-A378 WeakPolarHBondContact CA-O 3.49Å; P64-A378 VanDerWaalsContact CD-O 3.31Å; P64-A378 WeakPolarHBondContact CD-O 3.49Å; P64-A378 VanDerWaalsContact N-O 3.16Å; A65-A378 PolarHBondContact N-O 3.21Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.34Å; S374-A378 PolarHBondContact O-N 3.41Å; G375-A378 PolarHBondContact O-N 3.04Å |
| 379 | K | 96.5 | Very high | 98.1 | Very high | 148 Ų | 148 | 30 Ų | 30 | 64% | 0.643 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -135.6 | -4.3 | -172.8 | 65.4 | 178.4 | -178.3 | -178.7 | 0 | 114.1 | G375 | G375-K379 WeakPolarHBondContact O-CG 3.46Å; G375-K379 PolarHBondContact O-N 2.66Å |
| 380 | G | 96.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | trans | -68.6 | 159 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | A65 V347 G375 E376 | A65-G380 WeakPolarHBondContact CB-O 3.44Å; V347-G380 WeakPolarHBondContact O-CA 3.5Å; G375-G380 PolarHBondContact O-N 2.91Å; E376-G380 WeakPolarHBondContact O-CA 3.29Å | ||
| 381 | Q | 98.1 | Very high | 98.1 | Very high | 140 Ų | 140 | 31.8 Ų | 31.8 | 65% | 0.654 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -78.3 | -22.2 | 177.4 | -62.4 | 178.3 | 20.8 | 0 | 0 | 112.5 | V347 P383 | V347-Q381 PolarHBondContact O-N 3.43Å; Q381-P383 WeakPolarHBondContact O-CD 3.47Å |
| 382 | F | 98 | Very high | 98.1 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | trans | -124.9 | 53.8 | -173.9 | -56.5 | -79.1 | 0 | 0 | 0 | 113 | H349 A350 L384 E385 A386 | H349-F382 VanDerWaalsContact O-CD2 3.32Å; H349-F382 WeakPolarHBondContact O-CD2 3.47Å; A350-F382 HydrophobicContact CB-CD1 3.9Å; A350-F382 HydrophobicContact CB-CE1 3.8Å; A350-F382 HydrophobicContact CB-CE2 4.43Å; A350-F382 HydrophobicContact CB-CG 4.26Å; A350-F382 HydrophobicContact CB-CZ 4.08Å; F382-L384 VanDerWaalsContact C-N 3.3Å; F382-L384 PolarHBondContact O-N 3.29Å; F382-E385 VanDerWaalsContact C-OE2 3.31Å; F382-E385 VanDerWaalsContact CA-OE2 3.31Å; F382-E385 WeakPolarHBondContact CA-OE2 3.43Å; F382-E385 HydrophobicContact CB-CB 4.15Å; F382-E385 HydrophobicContact CB-CG 4.47Å; F382-E385 PolarHBondContact O-N 3Å; F382-A386 WeakPolarHBondContact O-CB 3.32Å; F382-A386 PolarHBondContact O-N 2.77Å | ||
| 383 | P | 98.2 | Very high | 98.1 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -31.2 | -173.5 | 27.8 | -36.2 | 0 | 0 | 0 | 113 | K71 Q381 V387 | K71-P383 HydrophobicContact CD-CG 4.47Å; Q381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-V387 WeakPolarHBondContact O-CG2 3.4Å; P383-V387 PolarHBondContact O-N 2.91Å |
| 384 | L | 98.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 17% | 0.173 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -75.8 | -43.9 | 179.9 | -65.9 | -177.5 | 0 | 0 | 0 | 111.6 | K71 E74 M75 F382 A386 V387 A388 | K71-L384 HydrophobicContact CD-CD1 4.12Å; K71-L384 HydrophobicContact CD-CD2 3.84Å; K71-L384 HydrophobicContact CD-CG 3.88Å; E74-L384 HydrophobicContact CB-CD1 3.85Å; E74-L384 HydrophobicContact CB-CD2 3.52Å; E74-L384 HydrophobicContact CB-CG 4.34Å; E74-L384 HydrophobicContact CG-CD1 4.37Å; E74-L384 WeakPolarHBondContact OE2-CD1 3.42Å; M75-L384 HydrophobicContact CB-CD2 4.35Å; M75-L384 HydrophobicContact CG-CD2 3.53Å; F382-L384 VanDerWaalsContact C-N 3.3Å; F382-L384 PolarHBondContact O-N 3.29Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.25Å; L384-V387 PolarHBondContact O-N 2.81Å; L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 3.46Å |
| 385 | E | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 37.3 Ų | 37.3 | 41% | 0.411 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.4 | -37.9 | 178.6 | -62.9 | 79.3 | 176.4 | 0 | 0 | 110.5 | M346 F382 A388 M389 | M346-E385 HydrophobicContact CE-CB 3.92Å; F382-E385 VanDerWaalsContact C-OE2 3.31Å; F382-E385 VanDerWaalsContact CA-OE2 3.31Å; F382-E385 WeakPolarHBondContact CA-OE2 3.43Å; F382-E385 HydrophobicContact CB-CB 4.15Å; F382-E385 HydrophobicContact CB-CG 4.47Å; F382-E385 PolarHBondContact O-N 3Å; E385-A388 PolarHBondContact O-N 3.26Å; E385-M389 WeakPolarHBondContact O-CB 3.05Å; E385-M389 PolarHBondContact O-N 3.47Å |
| 386 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.8 | -44.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L343 M346 L373 E376 F382 L384 M390 | L343-A386 WeakPolarHBondContact CD1-O 3.36Å; M346-A386 HydrophobicContact CB-CB 4.37Å; M346-A386 HydrophobicContact CE-CB 4.34Å; M346-A386 HydrophobicContact SD-CB 4.42Å; L373-A386 HydrophobicContact CD1-CB 4.06Å; L373-A386 HydrophobicContact CD2-CB 4.44Å; E376-A386 HydrophobicContact CB-CB 4.07Å; F382-A386 WeakPolarHBondContact O-CB 3.32Å; F382-A386 PolarHBondContact O-N 2.77Å; L384-A386 VanDerWaalsContact C-N 3.3Å; L384-A386 PolarHBondContact O-N 3.25Å; A386-M390 VanDerWaalsContact O-CB 3.29Å; A386-M390 WeakPolarHBondContact O-CB 3.1Å; A386-M390 PolarHBondContact O-N 3.03Å |
| 387 | V | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.3 | -45.6 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | M75 A78 L373 T377 P383 L384 M390 H391 | M75-V387 HydrophobicContact CE-CG2 3.84Å; M75-V387 HydrophobicContact CG-CG2 4.48Å; A78-V387 HydrophobicContact CB-CB 4.1Å; A78-V387 HydrophobicContact CB-CG1 3.76Å; L373-V387 HydrophobicContact CD1-CG2 4.06Å; T377-V387 HydrophobicContact CG2-CG2 3.9Å; P383-V387 WeakPolarHBondContact O-CG2 3.4Å; P383-V387 PolarHBondContact O-N 2.91Å; L384-V387 PolarHBondContact O-N 2.81Å; V387-M390 PolarHBondContact O-N 3.35Å; V387-H391 WeakPolarHBondContact O-CB 3.38Å; V387-H391 PolarHBondContact O-N 3.33Å |
| 388 | A | 98.6 | Very high | 98.2 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -38.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L384 E385 H391 S392 | L384-A388 WeakPolarHBondContact O-CB 3.35Å; L384-A388 PolarHBondContact O-N 3.46Å; E385-A388 PolarHBondContact O-N 3.26Å; A388-H391 PolarHBondContact O-N 3.04Å; A388-S392 WeakPolarHBondContact O-CB 3.45Å; A388-S392 PolarHBondContact O-N 3Å; A388-S392 PolarHBondContact O-OG 2.89Å |
| 389 | M | 98.8 | Very high | 98.2 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 27% | 0.266 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 174.6 | 179.5 | 56.7 | 63.7 | 0 | 0 | 110.9 | L343 M346 P352 E385 H391 S392 I393 | L343-M389 HydrophobicContact CD1-CB 4.17Å; L343-M389 HydrophobicContact CD1-CG 4.02Å; L343-M389 HydrophobicContact CD2-CG 4.45Å; M346-M389 HydrophobicContact CE-CB 4.26Å; M346-M389 HydrophobicContact SD-CB 4.05Å; M346-M389 HydrophobicContact SD-CG 4.01Å; P352-M389 HydrophobicContact CG-CE 4.19Å; P352-M389 HydrophobicContact CG-CG 3.8Å; P352-M389 HydrophobicContact CG-SD 3.98Å; E385-M389 WeakPolarHBondContact O-CB 3.05Å; E385-M389 PolarHBondContact O-N 3.47Å; M389-H391 VanDerWaalsContact C-N 3.3Å; M389-H391 PolarHBondContact O-N 2.98Å; M389-S392 PolarHBondContact O-N 2.95Å; M389-S392 VanDerWaalsContact O-N 3.17Å; M389-I393 HydrophobicContact CG-CD1 3.79Å; M389-I393 WeakPolarHBondContact O-CG1 3.3Å; M389-I393 PolarHBondContact O-N 3.28Å; M389-I393 HydrophobicContact SD-CD1 3.75Å; M389-I393 HydrophobicContact SD-CG1 4.03Å |
| 390 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -43.4 | 175.5 | -174.5 | 72.3 | 79.3 | 0 | 0 | 111.2 | I58 M342 L343 V360 V371 L373 A386 V387 C394 | I58-M390 HydrophobicContact CD1-CB 3.83Å; I58-M390 HydrophobicContact CD1-CG 3.6Å; I58-M390 HydrophobicContact CG1-CB 4.46Å; I58-M390 HydrophobicContact CG1-CG 3.7Å; I58-M390 HydrophobicContact CG2-CG 4.23Å; M342-M390 HydrophobicContact CB-CE 3.74Å; M342-M390 HydrophobicContact SD-CE 4.18Å; L343-M390 HydrophobicContact CD1-CB 4.05Å; L343-M390 HydrophobicContact CD1-CE 4.05Å; L343-M390 HydrophobicContact CG-CE 4.03Å; V360-M390 HydrophobicContact CB-SD 4.11Å; V360-M390 HydrophobicContact CG1-SD 3.32Å; V360-M390 WeakPolarHBondContact CG1-SD 3.4Å; V360-M390 HydrophobicContact CG2-CE 3.91Å; V360-M390 HydrophobicContact CG2-SD 3.57Å; V360-M390 VanDerWaalsContact CG2-SD 3.57Å; V371-M390 HydrophobicContact CB-CE 4.4Å; V371-M390 HydrophobicContact CB-SD 3.85Å; V371-M390 HydrophobicContact CG2-CE 4.34Å; V371-M390 HydrophobicContact CG2-CG 3.61Å; V371-M390 HydrophobicContact CG2-SD 3.4Å; V371-M390 WeakPolarHBondContact CG2-SD 3.37Å; L373-M390 HydrophobicContact CD1-CB 4.41Å; L373-M390 HydrophobicContact CD2-CE 3.45Å; L373-M390 VanDerWaalsContact CD2-CE 3.45Å; L373-M390 HydrophobicContact CG-CE 3.82Å; A386-M390 VanDerWaalsContact O-CB 3.29Å; A386-M390 WeakPolarHBondContact O-CB 3.1Å; A386-M390 PolarHBondContact O-N 3.03Å; V387-M390 PolarHBondContact O-N 3.35Å; M390-C394 WeakPolarHBondContact O-CB 3.38Å; M390-C394 PolarHBondContact O-N 3.39Å; M390-C394 PolarHBondContact O-SG 3.33Å |
| 391 | H | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 35.3 Ų | 35.3 | 20% | 0.204 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.3 | 170.2 | 87.2 | 0 | 0 | 0 | 112.3 | I58 V387 A388 M389 C394 R395 | I58-H391 HydrophobicContact CD1-CB 3.91Å; V387-H391 WeakPolarHBondContact O-CB 3.38Å; V387-H391 PolarHBondContact O-N 3.33Å; A388-H391 PolarHBondContact O-N 3.04Å; M389-H391 VanDerWaalsContact C-N 3.3Å; M389-H391 PolarHBondContact O-N 2.98Å; H391-C394 PolarHBondContact O-N 3.42Å; H391-R395 WeakPolarHBondContact NE2-CD 3.49Å; H391-R395 PolarHBondContact O-N 3.2Å; H391-R395 VanDerWaalsContact O-N 3.17Å |
| 392 | S | 98.3 | Very high | 98.3 | Very high | 58 Ų | 58 | 29.7 Ų | 29.7 | 41% | 0.406 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.9 | -47.7 | -177.9 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | A388 M389 C394 R395 E396 | A388-S392 WeakPolarHBondContact O-CB 3.45Å; A388-S392 PolarHBondContact O-N 3Å; A388-S392 PolarHBondContact O-OG 2.89Å; M389-S392 PolarHBondContact O-N 2.95Å; M389-S392 VanDerWaalsContact O-N 3.17Å; S392-C394 VanDerWaalsContact C-N 3.33Å; S392-C394 PolarHBondContact O-N 3.2Å; S392-R395 PolarHBondContact O-N 3.09Å; S392-E396 PolarHBondContact O-N 3.2Å |
| 393 | I | 98.8 | Very high | 98.2 | Very high | 20 Ų | 20 | 27.5 Ų | 27.5 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 178.4 | -61.1 | 159.6 | 0 | 0 | 0 | 111.1 | L343 V360 A361 M389 R395 E396 A397 | L343-I393 HydrophobicContact CD2-CD1 4.26Å; V360-I393 HydrophobicContact CB-CB 4.43Å; V360-I393 HydrophobicContact CB-CD1 4.26Å; V360-I393 HydrophobicContact CB-CG2 3.84Å; V360-I393 HydrophobicContact CG1-CB 3.89Å; V360-I393 HydrophobicContact CG1-CD1 4.4Å; V360-I393 HydrophobicContact CG1-CG2 3.58Å; V360-I393 HydrophobicContact CG2-CD1 4.47Å; A361-I393 HydrophobicContact CB-CG2 3.83Å; M389-I393 HydrophobicContact CG-CD1 3.79Å; M389-I393 WeakPolarHBondContact O-CG1 3.3Å; M389-I393 PolarHBondContact O-N 3.28Å; M389-I393 HydrophobicContact SD-CD1 3.75Å; M389-I393 HydrophobicContact SD-CG1 4.03Å; I393-R395 VanDerWaalsContact C-N 3.34Å; I393-R395 PolarHBondContact O-N 2.63Å; I393-E396 PolarHBondContact O-N 2.94Å; I393-A397 WeakPolarHBondContact O-CB 3.22Å; I393-A397 PolarHBondContact O-N 2.73Å |
| 394 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.1 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | R54 V364 M390 H391 S392 A397 E398 | R54-C394 HydrophobicContact CG-CB 3.88Å; V364-C394 HydrophobicContact CG2-CB 4.4Å; M390-C394 WeakPolarHBondContact O-CB 3.38Å; M390-C394 PolarHBondContact O-N 3.39Å; M390-C394 PolarHBondContact O-SG 3.33Å; H391-C394 PolarHBondContact O-N 3.42Å; S392-C394 VanDerWaalsContact C-N 3.33Å; S392-C394 PolarHBondContact O-N 3.2Å; C394-A397 PolarHBondContact O-N 3.14Å; C394-E398 VanDerWaalsContact O-CB 3.26Å; C394-E398 WeakPolarHBondContact O-CB 3Å; C394-E398 WeakPolarHBondContact O-CG 3.31Å; C394-E398 PolarHBondContact O-N 3.03Å |
| 395 | R | 97.7 | Very high | 97.8 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 23% | 0.226 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 179.2 | -74.9 | 178.7 | 59.5 | -144.5 | -7.5 | 112.5 | P50 I51 R54 H391 S392 I393 E398 A399 | P50-R395 HydrophobicContact CB-CB 4.22Å; P50-R395 WeakPolarHBondContact CB-O 3.22Å; P50-R395 HydrophobicContact CG-CB 4.06Å; P50-R395 PolarHBondContact O-NH2 2.82Å; I51-R395 VanDerWaalsContact C-NH2 3.32Å; I51-R395 PolarHBondContact O-NE 3.11Å; I51-R395 PolarHBondContact O-NH2 3.3Å; R54-R395 HydrophobicContact CB-CG 3.56Å; R54-R395 HydrophobicContact CG-CG 3.72Å; H391-R395 WeakPolarHBondContact NE2-CD 3.49Å; H391-R395 PolarHBondContact O-N 3.2Å; H391-R395 VanDerWaalsContact O-N 3.17Å; S392-R395 PolarHBondContact O-N 3.09Å; I393-R395 VanDerWaalsContact C-N 3.34Å; I393-R395 PolarHBondContact O-N 2.63Å; R395-E398 PolarHBondContact O-N 3.24Å; R395-A399 PolarHBondContact O-N 3.21Å |
| 396 | E | 98.2 | Very high | 97.7 | Very high | 91 Ų | 91 | 30.9 Ų | 30.9 | 43% | 0.425 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 176.9 | -66.4 | -61.4 | 167.4 | 0 | 0 | 111.5 | P50 S392 I393 E398 A399 A400 | P50-E396 VanDerWaalsContact CD-OE1 3.23Å; P50-E396 WeakPolarHBondContact CD-OE1 3.23Å; P50-E396 HydrophobicContact CG-CG 4.48Å; P50-E396 WeakPolarHBondContact CG-OE1 3.43Å; S392-E396 PolarHBondContact O-N 3.2Å; I393-E396 PolarHBondContact O-N 2.94Å; E396-E398 VanDerWaalsContact C-N 3.28Å; E396-E398 PolarHBondContact O-N 3.16Å; E396-A399 PolarHBondContact O-N 2.78Å; E396-A399 VanDerWaalsContact O-N 3.16Å; E396-A400 PolarHBondContact O-N 3Å; E396-A400 VanDerWaalsContact O-N 3.13Å |
| 397 | A | 98.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A361 V364 L365 I393 C394 A399 A400 I401 | A361-A397 HydrophobicContact CB-CB 4.12Å; V364-A397 HydrophobicContact CB-CB 3.75Å; V364-A397 HydrophobicContact CG1-CB 3.71Å; V364-A397 HydrophobicContact CG2-CB 4.45Å; L365-A397 WeakPolarHBondContact CD2-O 3.01Å; L365-A397 HydrophobicContact CG-CB 4.43Å; I393-A397 WeakPolarHBondContact O-CB 3.22Å; I393-A397 PolarHBondContact O-N 2.73Å; C394-A397 PolarHBondContact O-N 3.14Å; A397-A399 PolarHBondContact O-N 2.63Å; A397-A400 PolarHBondContact O-N 3.2Å; A397-I401 PolarHBondContact O-N 3.36Å |
| 398 | E | 98.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.5 | -80.5 | 158.2 | -158.6 | 0 | 0 | 113.3 | R54 N55 T56 V364 C394 R395 E396 A400 I401 H403 R479 | R54-E398 VanDerWaalsContact CA-OE2 3.31Å; R54-E398 WeakPolarHBondContact CA-OE2 3.48Å; N55-E398 HydrophobicContact CB-CG 4.35Å; N55-E398 VanDerWaalsContact N-CD 3.29Å; N55-E398 PolarHBondContact N-OE1 2.78Å; N55-E398 PolarHBondContact N-OE2 3.4Å; T56-E398 WeakPolarHBondContact CB-OE1 3.36Å; T56-E398 PolarHBondContact N-OE1 3.41Å; T56-E398 PolarHBondContact OG1-OE1 2.83Å; V364-E398 HydrophobicContact CG1-CG 3.97Å; C394-E398 VanDerWaalsContact O-CB 3.26Å; C394-E398 WeakPolarHBondContact O-CB 3Å; C394-E398 WeakPolarHBondContact O-CG 3.31Å; C394-E398 PolarHBondContact O-N 3.03Å; R395-E398 PolarHBondContact O-N 3.24Å; E396-E398 VanDerWaalsContact C-N 3.28Å; E396-E398 PolarHBondContact O-N 3.16Å; E398-A400 VanDerWaalsContact C-N 3.3Å; E398-I401 PolarHBondContact O-N 3.31Å; E398-H403 PolarHBondContact O-CE1 3.17Å; E398-R479 VanDerWaalsContact CG-NH1 3.31Å; E398-R479 IonicContact OE1-NH1 3.55Å |
| 399 | A | 96.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.2 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q28 P50 R395 E396 A397 I401 | Q28-A399 HydrophobicContact CG-CB 4.03Å; P50-A399 HydrophobicContact CB-CB 3.97Å; R395-A399 PolarHBondContact O-N 3.21Å; E396-A399 PolarHBondContact O-N 2.78Å; E396-A399 VanDerWaalsContact O-N 3.16Å; A397-A399 PolarHBondContact O-N 2.63Å; A399-I401 VanDerWaalsContact C-N 3.31Å; A399-I401 PolarHBondContact O-N 2.82Å |
| 400 | A | 98 | Very high | 97.4 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 16% | 0.157 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | H40 L44 L365 E396 A397 E398 | H40-A400 PolarHBondContact CE1-O 2.92Å; H40-A400 PolarHBondContact NE2-O 3.27Å; L44-A400 HydrophobicContact CD2-CB 3.91Å; L365-A400 HydrophobicContact CD2-CB 4.25Å; E396-A400 PolarHBondContact O-N 3Å; E396-A400 VanDerWaalsContact O-N 3.13Å; A397-A400 PolarHBondContact O-N 3.2Å; E398-A400 VanDerWaalsContact C-N 3.3Å |
| 401 | I | 97.9 | Very high | 97.2 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | trans | -72.7 | 132.4 | 175.5 | -70.2 | 166.3 | 0 | 0 | 0 | 110.5 | V364 L365 A397 E398 A399 H403 L406 R479 | V364-I401 HydrophobicContact CG1-CD1 4.45Å; L365-I401 HydrophobicContact CD2-CG1 3.88Å; A397-I401 PolarHBondContact O-N 3.36Å; E398-I401 PolarHBondContact O-N 3.31Å; A399-I401 VanDerWaalsContact C-N 3.31Å; A399-I401 PolarHBondContact O-N 2.82Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3.17Å; I401-H403 PolarHBondContact O-ND1 3.5Å; I401-L406 HydrophobicContact CG2-CD2 3.89Å; I401-R479 VanDerWaalsContact CD1-NH2 3.25Å | ||
| 402 | Y | 97.8 | Very high | 97.1 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | trans | -79.6 | 78.4 | 171.2 | -169.7 | -142.1 | 0 | 0 | 0 | 111.8 | A34 F37 H40 Q404 Q405 L406 | A34-Y402 WeakPolarHBondContact O-CE2 3.13Å; A34-Y402 PolarHBondContact O-OH 3.27Å; F37-Y402 HydrophobicContact CB-CD1 4.17Å; F37-Y402 HydrophobicContact CB-CE1 4.3Å; F37-Y402 AromaticContact CD2-CD1 3.81Å; F37-Y402 HydrophobicContact CD2-CD1 3.81Å; F37-Y402 HydrophobicContact CD2-CG 4.26Å; F37-Y402 HydrophobicContact CG-CD1 4.5Å; H40-Y402 HydrophobicContact CB-CD2 4.03Å; H40-Y402 HydrophobicContact CB-CE2 4.31Å; H40-Y402 HydrophobicContact CB-CG 4.22Å; H40-Y402 AromaticContact CG-CD2 3.84Å; H40-Y402 AromaticContact CG-CG 3.91Å; H40-Y402 AromaticContact ND1-CD2 3.71Å; Y402-Q404 VanDerWaalsContact C-N 3.29Å; Y402-Q404 HydrophobicContact CD2-CB 4.47Å; Y402-Q404 HydrophobicContact CE2-CB 3.97Å; Y402-Q404 PolarHBondContact O-N 3.41Å; Y402-Q405 HydrophobicContact CD1-CB 3.42Å; Y402-Q405 VanDerWaalsContact CD1-CB 3.42Å; Y402-Q405 HydrophobicContact CD1-CG 4.43Å; Y402-Q405 HydrophobicContact CE1-CB 3.56Å; Y402-Q405 HydrophobicContact CG-CB 4.29Å; Y402-Q405 PolarHBondContact O-N 3.37Å; Y402-L406 PolarHBondContact O-N 2.76Å | ||
| 403 | H | 95.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 51.1 Ų | 51.1 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -30.7 | -171.4 | -69.3 | 84 | 0 | 0 | 0 | 114 | E398 I401 L406 F407 F433 R457 | E398-H403 PolarHBondContact O-CE1 3.17Å; I401-H403 VanDerWaalsContact C-N 3.32Å; I401-H403 PolarHBondContact O-N 3.17Å; I401-H403 PolarHBondContact O-ND1 3.5Å; H403-L406 PolarHBondContact O-N 3.41Å; H403-F407 VanDerWaalsContact O-CB 3.26Å; H403-F407 WeakPolarHBondContact O-CB 3.32Å; H403-F407 PolarHBondContact O-N 2.82Å; H403-F433 HydrophobicContact CB-CE1 3.72Å; H403-F433 HydrophobicContact CB-CZ 3.99Å; H403-R457 PolarHBondContact CD2-O 2.97Å |
| 404 | Q | 91.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 51 Ų | 51 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.1 | -49.7 | 179.7 | -177.4 | 174.1 | -13.7 | 0 | 0 | 111.2 | Y402 E408 | Y402-Q404 VanDerWaalsContact C-N 3.29Å; Y402-Q404 HydrophobicContact CD2-CB 4.47Å; Y402-Q404 HydrophobicContact CE2-CB 3.97Å; Y402-Q404 PolarHBondContact O-N 3.41Å; Q404-E408 WeakPolarHBondContact O-CB 3.16Å; Q404-E408 PolarHBondContact O-N 2.98Å |
| 405 | Q | 96.5 | Very high | 96.1 | Very high | 70 Ų | 70 | 55.8 Ų | 55.8 | 33% | 0.327 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.9 | -49.2 | 175.7 | 179.1 | 178.1 | -0.2 | 0 | 0 | 111.4 | Y402 F407 E408 E409 | Y402-Q405 HydrophobicContact CD1-CB 3.42Å; Y402-Q405 VanDerWaalsContact CD1-CB 3.42Å; Y402-Q405 HydrophobicContact CD1-CG 4.43Å; Y402-Q405 HydrophobicContact CE1-CB 3.56Å; Y402-Q405 HydrophobicContact CG-CB 4.29Å; Y402-Q405 PolarHBondContact O-N 3.37Å; Q405-F407 PolarHBondContact O-N 3.27Å; Q405-E408 PolarHBondContact O-N 3.02Å; Q405-E409 HydrophobicContact CG-CG 4.29Å; Q405-E409 VanDerWaalsContact CG-OE1 3.25Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.38Å; Q405-E409 PolarHBondContact NE2-OE1 3.47Å; Q405-E409 WeakPolarHBondContact O-CG 3.46Å; Q405-E409 PolarHBondContact O-N 3.37Å |
| 406 | L | 97.4 | Very high | 95.8 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 19% | 0.194 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -47.4 | -175.7 | 175.8 | 60.9 | 0 | 0 | 0 | 112.4 | I401 Y402 H403 E409 L410 R457 | I401-L406 HydrophobicContact CG2-CD2 3.89Å; Y402-L406 PolarHBondContact O-N 2.76Å; H403-L406 PolarHBondContact O-N 3.41Å; L406-E409 PolarHBondContact O-N 3.02Å; L406-L410 HydrophobicContact CD1-CD1 3.96Å; L406-L410 HydrophobicContact CD1-CG 4.2Å; L406-L410 HydrophobicContact CG-CD1 3.99Å; L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 VanDerWaalsContact O-CG 3.27Å; L406-L410 WeakPolarHBondContact O-CG 3.18Å; L406-L410 PolarHBondContact O-N 2.96Å; L406-R457 HydrophobicContact CD2-CB 3.96Å; L406-R457 HydrophobicContact CD2-CG 4.18Å |
| 407 | F | 97.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | -178.9 | 174.8 | -125.2 | 0 | 0 | 0 | 112 | H403 Q405 R411 V429 E430 F433 Y456 | H403-F407 VanDerWaalsContact O-CB 3.26Å; H403-F407 WeakPolarHBondContact O-CB 3.32Å; H403-F407 PolarHBondContact O-N 2.82Å; Q405-F407 PolarHBondContact O-N 3.27Å; F407-R411 HydrophobicContact CD2-CG 4.16Å; F407-R411 HydrophobicContact CE2-CG 3.78Å; F407-R411 HydrophobicContact CZ-CG 4.06Å; F407-R411 WeakPolarHBondContact O-CB 3.5Å; F407-R411 WeakPolarHBondContact O-CG 3.31Å; F407-R411 PolarHBondContact O-N 3.04Å; F407-V429 HydrophobicContact CD2-CG1 3.92Å; F407-V429 HydrophobicContact CE2-CB 4.13Å; F407-V429 HydrophobicContact CE2-CG1 3.57Å; F407-V429 HydrophobicContact CZ-CB 4.39Å; F407-V429 HydrophobicContact CZ-CG1 3.99Å; F407-E430 HydrophobicContact CE1-CB 4.18Å; F407-E430 WeakPolarHBondContact CE1-OE2 3.45Å; F407-E430 HydrophobicContact CZ-CB 4.02Å; F407-F433 HydrophobicContact CB-CE2 3.89Å; F407-F433 HydrophobicContact CB-CZ 4.35Å; F407-F433 AromaticContact CD1-CD2 3.83Å; F407-F433 HydrophobicContact CD1-CD2 3.83Å; F407-F433 AromaticContact CD1-CE2 3.74Å; F407-F433 HydrophobicContact CD1-CE2 3.74Å; F407-F433 HydrophobicContact CD2-CE2 4.11Å; F407-F433 AromaticContact CE1-CD2 3.99Å; F407-F433 HydrophobicContact CE1-CD2 3.99Å; F407-F433 HydrophobicContact CE1-CE2 4.21Å; F407-F433 HydrophobicContact CG-CD2 4.23Å; F407-F433 AromaticContact CG-CE2 3.66Å; F407-F433 HydrophobicContact CG-CE2 3.66Å; F407-Y456 HydrophobicContact CD2-CD1 4.5Å; F407-Y456 WeakPolarHBondContact CD2-O 3.45Å; F407-Y456 HydrophobicContact CE2-CD1 4.23Å; F407-Y456 HydrophobicContact CE2-CG 4.33Å |
| 408 | E | 96.7 | Very high | 95.2 | Very high | 89 Ų | 89 | 65.2 Ų | 65.2 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 175.2 | -179.9 | 169.5 | -161.6 | 0 | 0 | 112 | Q404 Q405 R411 R412 | Q404-E408 WeakPolarHBondContact O-CB 3.16Å; Q404-E408 PolarHBondContact O-N 2.98Å; Q405-E408 PolarHBondContact O-N 3.02Å; E408-R411 PolarHBondContact O-N 2.92Å; E408-R412 HydrophobicContact CG-CG 4.47Å; E408-R412 VanDerWaalsContact O-CG 3.32Å; E408-R412 WeakPolarHBondContact O-CG 3.29Å; E408-R412 PolarHBondContact O-N 2.89Å; E408-R412 IonicContact OE1-CZ 2.63Å; E408-R412 IonicContact OE1-NE 3.3Å; E408-R412 PolarHBondContact OE1-NE 3.23Å; E408-R412 VanDerWaalsContact OE1-NE 3.13Å; E408-R412 IonicContact OE1-NH2 3.3Å; E408-R412 PolarHBondContact OE1-NH2 2.77Å |
| 409 | E | 97.6 | Very high | 95.1 | Very high | 90 Ų | 90 | 66.5 Ų | 66.5 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 176.8 | -73.3 | 177.8 | -177.9 | 0 | 0 | 111.6 | Q405 L406 R411 R412 L413 | Q405-E409 HydrophobicContact CG-CG 4.29Å; Q405-E409 VanDerWaalsContact CG-OE1 3.25Å; Q405-E409 WeakPolarHBondContact CG-OE1 3.38Å; Q405-E409 PolarHBondContact NE2-OE1 3.47Å; Q405-E409 WeakPolarHBondContact O-CG 3.46Å; Q405-E409 PolarHBondContact O-N 3.37Å; L406-E409 PolarHBondContact O-N 3.02Å; E409-R411 VanDerWaalsContact C-N 3.33Å; E409-R411 PolarHBondContact O-N 2.86Å; E409-R412 PolarHBondContact O-N 2.88Å; E409-L413 WeakPolarHBondContact O-CG 3.44Å; E409-L413 PolarHBondContact O-N 2.76Å |
| 410 | L | 97.1 | Very high | 95 | Very high | 10 Ų | 10 | 69.9 Ų | 69.9 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 177 | -72.2 | 168.4 | 0 | 0 | 0 | 111.7 | N330 L406 R412 L413 T414 Y456 R457 | N330-L410 HydrophobicContact CB-CD2 4.33Å; L406-L410 HydrophobicContact CD1-CD1 3.96Å; L406-L410 HydrophobicContact CD1-CG 4.2Å; L406-L410 HydrophobicContact CG-CD1 3.99Å; L406-L410 WeakPolarHBondContact O-CB 3.47Å; L406-L410 VanDerWaalsContact O-CG 3.27Å; L406-L410 WeakPolarHBondContact O-CG 3.18Å; L406-L410 PolarHBondContact O-N 2.96Å; L410-R412 PolarHBondContact O-N 2.76Å; L410-L413 PolarHBondContact O-N 3.37Å; L410-T414 PolarHBondContact O-N 3.25Å; L410-T414 VanDerWaalsContact O-N 3.09Å; L410-T414 PolarHBondContact O-OG1 3.4Å; L410-T414 VanDerWaalsContact O-OG1 3.04Å; L410-Y456 HydrophobicContact CB-CD1 4.43Å; L410-R457 HydrophobicContact CD1-CB 4.13Å; L410-R457 HydrophobicContact CD1-CG 3.72Å |
| 411 | R | 95.1 | Very high | 94.9 | Very high | 113 Ų | 113 | 69.2 Ų | 69.2 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.6 | -79.9 | 178.3 | 47.6 | 151.6 | 1.9 | 112.9 | F407 E408 E409 I426 E430 Y456 | F407-R411 HydrophobicContact CD2-CG 4.16Å; F407-R411 HydrophobicContact CE2-CG 3.78Å; F407-R411 HydrophobicContact CZ-CG 4.06Å; F407-R411 WeakPolarHBondContact O-CB 3.5Å; F407-R411 WeakPolarHBondContact O-CG 3.31Å; F407-R411 PolarHBondContact O-N 3.04Å; E408-R411 PolarHBondContact O-N 2.92Å; E409-R411 VanDerWaalsContact C-N 3.33Å; E409-R411 PolarHBondContact O-N 2.86Å; R411-I426 HydrophobicContact CG-CG2 4.26Å; R411-E430 IonicContact CZ-OE2 3.13Å; R411-E430 IonicContact NH1-OE2 3.94Å; R411-E430 PolarHBondContact NH1-OE2 2.8Å; R411-Y456 HydrophobicContact CG-CD1 4.43Å |
| 412 | R | 95.1 | Very high | 94.9 | Very high | 192 Ų | 192 | 69.8 Ų | 69.8 | 73% | 0.725 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -71 | -33.2 | -179.9 | -73.2 | 175.1 | 179.3 | -150.6 | 3 | 112.4 | E408 E409 L410 | E408-R412 HydrophobicContact CG-CG 4.47Å; E408-R412 VanDerWaalsContact O-CG 3.32Å; E408-R412 WeakPolarHBondContact O-CG 3.29Å; E408-R412 PolarHBondContact O-N 2.89Å; E408-R412 IonicContact OE1-CZ 2.63Å; E408-R412 IonicContact OE1-NE 3.3Å; E408-R412 PolarHBondContact OE1-NE 3.23Å; E408-R412 VanDerWaalsContact OE1-NE 3.13Å; E408-R412 IonicContact OE1-NH2 3.3Å; E408-R412 PolarHBondContact OE1-NH2 2.77Å; E409-R412 PolarHBondContact O-N 2.88Å; L410-R412 PolarHBondContact O-N 2.76Å |
| 413 | L | 93.9 | Very high | 94.8 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 59% | 0.586 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -78.7 | -27.4 | 178.6 | -70.8 | 174.5 | 0 | 0 | 0 | 113.2 | E409 L410 P415 | E409-L413 WeakPolarHBondContact O-CG 3.44Å; E409-L413 PolarHBondContact O-N 2.76Å; L410-L413 PolarHBondContact O-N 3.37Å; L413-P415 WeakPolarHBondContact O-CD 3.42Å |
| 414 | T | 90.1 | Very high | 94.9 | Very high | 17 Ų | 17 | 73.1 Ų | 73.1 | 10% | 0.104 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -71.7 | 127.3 | 175.9 | -58.9 | 0 | 0 | 0 | 0 | 110.8 | L410 E422 R455 Y456 | L410-T414 PolarHBondContact O-N 3.25Å; L410-T414 VanDerWaalsContact O-N 3.09Å; L410-T414 PolarHBondContact O-OG1 3.4Å; L410-T414 VanDerWaalsContact O-OG1 3.04Å; T414-E422 WeakPolarHBondContact CG2-OE1 3.37Å; T414-R455 PolarHBondContact OG1-NH2 2.76Å; T414-Y456 WeakPolarHBondContact CG2-OH 3.48Å |
| 415 | P | 90.8 | Very high | 95.2 | Very high | 102 Ų | 102 | 68.7 Ų | 68.7 | 66% | 0.662 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 153.3 | 172.6 | -23.2 | 33.8 | 0 | 0 | 0 | 112.5 | L413 S417 | L413-P415 WeakPolarHBondContact O-CD 3.42Å; P415-S417 PolarHBondContact O-N 2.65Å |
| 416 | L | 92.1 | Very high | 95.2 | Very high | 184 Ų | 184 | 67.3 Ų | 67.3 | 96% | 0.963 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 130.8 | 170.7 | -63.7 | 178.1 | 0 | 0 | 0 | 109.9 | ||
| 417 | S | 90.4 | Very high | 95.3 | Very high | 44 Ų | 44 | 66.9 Ų | 66.9 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | trans | -119.5 | 135.2 | -174.2 | -172.5 | 0 | 0 | 0 | 0 | 110.6 | P415 D419 E422 | P415-S417 PolarHBondContact O-N 2.65Å; S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 WeakPolarHBondContact OG-CB 3.24Å; S417-D419 PolarHBondContact OG-N 2.89Å; S417-E422 WeakPolarHBondContact CB-OE2 3.31Å; S417-E422 PolarHBondContact OG-OE2 3.22Å | ||
| 418 | S | 93.8 | Very high | 95.3 | Very high | 126 Ų | 126 | 66.1 Ų | 66.1 | 88% | 0.881 | 36% | 0.356 | S | S | * | . | trans | -93.9 | 4.8 | 168.6 | 63.4 | 0 | 0 | 0 | 0 | 112.3 | P420 | S418-P420 VanDerWaalsContact O-CD 3.28Å; S418-P420 WeakPolarHBondContact O-CD 3.43Å | ||
| 419 | D | 95.5 | Very high | 95.4 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | trans | -76.3 | 113.8 | 175.3 | -177.7 | -14.5 | 0 | 0 | 0 | 110.1 | S417 T421 E422 V423 R448 | S417-D419 VanDerWaalsContact C-N 3.35Å; S417-D419 WeakPolarHBondContact OG-CB 3.24Å; S417-D419 PolarHBondContact OG-N 2.89Å; D419-T421 PolarHBondContact O-N 3.31Å; D419-T421 VanDerWaalsContact O-N 3.12Å; D419-T421 WeakPolarHBondContact OD1-CB 3.35Å; D419-T421 PolarHBondContact OD1-N 2.93Å; D419-T421 PolarHBondContact OD1-OG1 2.75Å; D419-T421 PolarHBondContact OD2-OG1 3.14Å; D419-E422 HydrophobicContact CB-CB 4.2Å; D419-E422 PolarHBondContact O-N 2.81Å; D419-E422 VanDerWaalsContact O-N 3.11Å; D419-V423 WeakPolarHBondContact O-CG2 3.49Å; D419-V423 PolarHBondContact O-N 2.93Å; D419-V423 VanDerWaalsContact O-N 3.09Å; D419-R448 IonicContact OD1-NH1 2.71Å; D419-R448 IonicContact OD2-CZ 2.77Å; D419-R448 VanDerWaalsContact OD2-CZ 3.3Å; D419-R448 IonicContact OD2-NH1 3.8Å; D419-R448 PolarHBondContact OD2-NH1 3.12Å; D419-R448 VanDerWaalsContact OD2-NH1 3.07Å; D419-R448 IonicContact OD2-NH2 2.92Å; D419-R448 PolarHBondContact OD2-NH2 2.85Å | ||
| 420 | P | 95.6 | Very high | 95.4 | Very high | 76 Ų | 76 | 61.4 Ų | 61.4 | 49% | 0.494 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58 | -30.2 | -179.2 | -22 | 32.8 | 0 | 0 | 0 | 113.4 | S418 T424 N535 | S418-P420 VanDerWaalsContact O-CD 3.28Å; S418-P420 WeakPolarHBondContact O-CD 3.43Å; P420-T424 VanDerWaalsContact O-CB 3.27Å; P420-T424 WeakPolarHBondContact O-CB 3.14Å; P420-T424 PolarHBondContact O-N 2.83Å; P420-T424 PolarHBondContact O-OG1 2.86Å; P420-N535 HydrophobicContact CB-CB 4.34Å |
| 421 | T | 96.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -70.7 | -36.7 | -179.2 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | D419 A425 R448 L452 T534 | D419-T421 PolarHBondContact O-N 3.31Å; D419-T421 VanDerWaalsContact O-N 3.12Å; D419-T421 WeakPolarHBondContact OD1-CB 3.35Å; D419-T421 PolarHBondContact OD1-N 2.93Å; D419-T421 PolarHBondContact OD1-OG1 2.75Å; D419-T421 PolarHBondContact OD2-OG1 3.14Å; T421-A425 WeakPolarHBondContact O-CB 3.49Å; T421-A425 PolarHBondContact O-N 2.73Å; T421-R448 PolarHBondContact OG1-NH1 3.16Å; T421-L452 WeakPolarHBondContact OG1-CD1 3.46Å; T421-T534 VanDerWaalsContact CA-O 3.23Å; T421-T534 WeakPolarHBondContact CA-O 3.48Å; T421-T534 WeakPolarHBondContact CG2-O 3.34Å |
| 422 | E | 96.1 | Very high | 95.5 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 10% | 0.103 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -75 | -43.3 | 177.2 | -177.3 | 166.6 | -149.8 | 0 | 0 | 111.1 | T414 S417 D419 T424 A425 I426 L452 R455 Y456 | T414-E422 WeakPolarHBondContact CG2-OE1 3.37Å; S417-E422 WeakPolarHBondContact CB-OE2 3.31Å; S417-E422 PolarHBondContact OG-OE2 3.22Å; D419-E422 HydrophobicContact CB-CB 4.2Å; D419-E422 PolarHBondContact O-N 2.81Å; D419-E422 VanDerWaalsContact O-N 3.11Å; E422-T424 VanDerWaalsContact C-N 3.28Å; E422-T424 PolarHBondContact O-N 3.48Å; E422-A425 PolarHBondContact O-N 2.86Å; E422-A425 VanDerWaalsContact O-N 3.11Å; E422-I426 HydrophobicContact CG-CD1 4.42Å; E422-I426 WeakPolarHBondContact O-CG1 3.5Å; E422-I426 PolarHBondContact O-N 2.9Å; E422-L452 HydrophobicContact CB-CD1 4.49Å; E422-L452 HydrophobicContact CB-CD2 4.4Å; E422-L452 HydrophobicContact CG-CD2 4.42Å; E422-R455 IonicContact OE1-CZ 3.5Å; E422-R455 IonicContact OE1-NH1 2.72Å; E422-R455 PolarHBondContact OE1-NH1 3.33Å; E422-Y456 PolarHBondContact OE1-OH 2.74Å |
| 423 | V | 96.3 | Very high | 95.5 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -57.6 | -44.3 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | D419 A425 I426 G427 | D419-V423 WeakPolarHBondContact O-CG2 3.49Å; D419-V423 PolarHBondContact O-N 2.93Å; D419-V423 VanDerWaalsContact O-N 3.09Å; V423-A425 PolarHBondContact O-N 2.81Å; V423-I426 PolarHBondContact O-N 2.98Å; V423-G427 PolarHBondContact O-N 2.66Å; V423-G427 VanDerWaalsContact O-N 3.08Å |
| 424 | T | 97.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 54.1 Ų | 54.1 | 12% | 0.123 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 176.7 | -58 | 0 | 0 | 0 | 0 | 111.6 | P420 E422 G427 A428 V524 N535 M537 | P420-T424 VanDerWaalsContact O-CB 3.27Å; P420-T424 WeakPolarHBondContact O-CB 3.14Å; P420-T424 PolarHBondContact O-N 2.83Å; P420-T424 PolarHBondContact O-OG1 2.86Å; E422-T424 VanDerWaalsContact C-N 3.28Å; E422-T424 PolarHBondContact O-N 3.48Å; T424-G427 PolarHBondContact O-N 3.08Å; T424-A428 VanDerWaalsContact O-CB 3.3Å; T424-A428 WeakPolarHBondContact O-CB 3.36Å; T424-A428 PolarHBondContact O-N 3.06Å; T424-V524 HydrophobicContact CG2-CG1 4.16Å; T424-N535 WeakPolarHBondContact OG1-CA 3.47Å; T424-M537 HydrophobicContact CG2-CB 4.26Å |
| 425 | A | 98 | Very high | 95.4 | Very high | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -44.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T421 E422 V423 A428 V429 L452 L453 | T421-A425 WeakPolarHBondContact O-CB 3.49Å; T421-A425 PolarHBondContact O-N 2.73Å; E422-A425 PolarHBondContact O-N 2.86Å; E422-A425 VanDerWaalsContact O-N 3.11Å; V423-A425 PolarHBondContact O-N 2.81Å; A425-A428 PolarHBondContact O-N 3.11Å; A425-V429 WeakPolarHBondContact O-CG2 3.3Å; A425-V429 PolarHBondContact O-N 2.92Å; A425-L452 HydrophobicContact CB-CB 3.75Å; A425-L453 HydrophobicContact CB-CD2 4Å; A425-L453 HydrophobicContact CB-CG 4.26Å |
| 426 | I | 97 | Very high | 95.4 | Very high | 41 Ų | 41 | 53.5 Ų | 53.5 | 21% | 0.21 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -48.6 | 175.1 | -63.2 | 166.5 | 0 | 0 | 0 | 110.2 | R411 E422 V423 A428 V429 E430 Y456 | R411-I426 HydrophobicContact CG-CG2 4.26Å; E422-I426 HydrophobicContact CG-CD1 4.42Å; E422-I426 WeakPolarHBondContact O-CG1 3.5Å; E422-I426 PolarHBondContact O-N 2.9Å; V423-I426 PolarHBondContact O-N 2.98Å; I426-A428 VanDerWaalsContact C-N 3.32Å; I426-A428 PolarHBondContact O-N 3.26Å; I426-V429 PolarHBondContact O-N 3Å; I426-E430 WeakPolarHBondContact O-CB 3.2Å; I426-E430 PolarHBondContact O-N 2.97Å; I426-Y456 HydrophobicContact CD1-CE1 4.26Å; I426-Y456 HydrophobicContact CD1-CE2 4.25Å; I426-Y456 WeakPolarHBondContact CD1-OH 3.27Å; I426-Y456 HydrophobicContact CG1-CD1 4.31Å; I426-Y456 HydrophobicContact CG1-CD2 3.95Å; I426-Y456 HydrophobicContact CG1-CE1 3.76Å; I426-Y456 HydrophobicContact CG1-CE2 3.37Å; I426-Y456 HydrophobicContact CG1-CG 4.41Å |
| 427 | G | 97.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 45.1 Ų | 45.1 | 28% | 0.278 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V423 T424 S431 M537 | V423-G427 PolarHBondContact O-N 2.66Å; V423-G427 VanDerWaalsContact O-N 3.08Å; T424-G427 PolarHBondContact O-N 3.08Å; G427-S431 VanDerWaalsContact O-CB 3.3Å; G427-S431 WeakPolarHBondContact O-CB 3.18Å; G427-S431 PolarHBondContact O-N 3.48Å; G427-S431 PolarHBondContact O-OG 2.92Å; G427-M537 VanDerWaalsContact C-SD 3.53Å |
| 428 | A | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T424 A425 I426 S431 S432 L453 I522 V524 M537 | T424-A428 VanDerWaalsContact O-CB 3.3Å; T424-A428 WeakPolarHBondContact O-CB 3.36Å; T424-A428 PolarHBondContact O-N 3.06Å; A425-A428 PolarHBondContact O-N 3.11Å; I426-A428 VanDerWaalsContact C-N 3.32Å; I426-A428 PolarHBondContact O-N 3.26Å; A428-S431 PolarHBondContact O-N 3.33Å; A428-S432 WeakPolarHBondContact O-CB 3.21Å; A428-S432 PolarHBondContact O-N 3.37Å; A428-L453 HydrophobicContact CB-CD2 3.74Å; A428-I522 HydrophobicContact CB-CG2 3.94Å; A428-V524 HydrophobicContact CB-CG2 3.66Å; A428-M537 WeakPolarHBondContact CA-SD 3.5Å; A428-M537 HydrophobicContact CB-CG 4.23Å; A428-M537 HydrophobicContact CB-SD 3.97Å; A428-M537 PolarHBondContact N-SD 3Å; A428-M537 VanDerWaalsContact N-SD 3.44Å |
| 429 | V | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.3 | -42.9 | 177.8 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | F407 A425 I426 S431 S432 F433 I440 L453 P458 | F407-V429 HydrophobicContact CD2-CG1 3.92Å; F407-V429 HydrophobicContact CE2-CB 4.13Å; F407-V429 HydrophobicContact CE2-CG1 3.57Å; F407-V429 HydrophobicContact CZ-CB 4.39Å; F407-V429 HydrophobicContact CZ-CG1 3.99Å; A425-V429 WeakPolarHBondContact O-CG2 3.3Å; A425-V429 PolarHBondContact O-N 2.92Å; I426-V429 PolarHBondContact O-N 3Å; V429-S431 VanDerWaalsContact C-N 3.35Å; V429-S431 PolarHBondContact O-N 3.4Å; V429-S432 WeakPolarHBondContact O-CB 3.36Å; V429-S432 PolarHBondContact O-N 2.91Å; V429-S432 VanDerWaalsContact O-N 3.17Å; V429-S432 PolarHBondContact O-OG 3.04Å; V429-F433 HydrophobicContact CG1-CD2 4.02Å; V429-F433 HydrophobicContact CG1-CE2 3.53Å; V429-F433 HydrophobicContact CG1-CZ 4.44Å; V429-F433 VanDerWaalsContact O-CD2 3.22Å; V429-F433 WeakPolarHBondContact O-CD2 3.33Å; V429-F433 PolarHBondContact O-N 3.34Å; V429-F433 VanDerWaalsContact O-N 3.14Å; V429-I440 HydrophobicContact CG2-CD1 4Å; V429-L453 HydrophobicContact CG2-CD2 4Å; V429-P458 HydrophobicContact CG1-CB 4.04Å; V429-P458 HydrophobicContact CG2-CB 4.19Å; V429-P458 HydrophobicContact CG2-CG 4.15Å |
| 430 | E | 97.8 | Very high | 96 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 37% | 0.374 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -55.7 | -49.5 | 172 | 178.9 | 72.7 | -141.7 | 0 | 0 | 111.3 | F407 R411 I426 S432 F433 K434 | F407-E430 HydrophobicContact CE1-CB 4.18Å; F407-E430 WeakPolarHBondContact CE1-OE2 3.45Å; F407-E430 HydrophobicContact CZ-CB 4.02Å; R411-E430 IonicContact CZ-OE2 3.13Å; R411-E430 IonicContact NH1-OE2 3.94Å; R411-E430 PolarHBondContact NH1-OE2 2.8Å; I426-E430 WeakPolarHBondContact O-CB 3.2Å; I426-E430 PolarHBondContact O-N 2.97Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 3.01Å; E430-F433 PolarHBondContact O-N 3.47Å; E430-K434 PolarHBondContact O-N 2.84Å |
| 431 | S | 97.9 | Very high | 96.2 | Very high | 33 Ų | 33 | 32 Ų | 32 | 23% | 0.231 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.5 | -38.2 | 179 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | G427 A428 V429 F433 K434 C435 M537 | G427-S431 VanDerWaalsContact O-CB 3.3Å; G427-S431 WeakPolarHBondContact O-CB 3.18Å; G427-S431 PolarHBondContact O-N 3.48Å; G427-S431 PolarHBondContact O-OG 2.92Å; A428-S431 PolarHBondContact O-N 3.33Å; V429-S431 VanDerWaalsContact C-N 3.35Å; V429-S431 PolarHBondContact O-N 3.4Å; S431-F433 VanDerWaalsContact C-N 3.33Å; S431-F433 PolarHBondContact O-N 3.04Å; S431-K434 PolarHBondContact O-N 2.76Å; S431-K434 VanDerWaalsContact O-N 3.16Å; S431-C435 PolarHBondContact O-N 3.28Å; S431-C435 VanDerWaalsContact O-N 3.09Å; S431-C435 PolarHBondContact O-SG 2.98Å; S431-M537 WeakPolarHBondContact OG-CE 3.31Å |
| 432 | S | 96.7 | Very high | 96.3 | Very high | 5 Ų | 5 | 31.8 Ų | 31.8 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 177.9 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | A428 V429 E430 C436 A437 | A428-S432 WeakPolarHBondContact O-CB 3.21Å; A428-S432 PolarHBondContact O-N 3.37Å; V429-S432 WeakPolarHBondContact O-CB 3.36Å; V429-S432 PolarHBondContact O-N 2.91Å; V429-S432 VanDerWaalsContact O-N 3.17Å; V429-S432 PolarHBondContact O-OG 3.04Å; E430-S432 VanDerWaalsContact C-N 3.27Å; E430-S432 PolarHBondContact O-N 3.01Å; S432-C436 WeakPolarHBondContact O-CA 3.3Å; S432-C436 PolarHBondContact O-N 2.77Å; S432-C436 VanDerWaalsContact O-N 3.15Å; S432-A437 PolarHBondContact O-N 3.07Å |
| 433 | F | 93.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 172.3 | -71.8 | -61.4 | 0 | 0 | 0 | 111.2 | H403 F407 V429 E430 S431 C435 C436 R459 | H403-F433 HydrophobicContact CB-CE1 3.72Å; H403-F433 HydrophobicContact CB-CZ 3.99Å; F407-F433 HydrophobicContact CB-CE2 3.89Å; F407-F433 HydrophobicContact CB-CZ 4.35Å; F407-F433 AromaticContact CD1-CD2 3.83Å; F407-F433 HydrophobicContact CD1-CD2 3.83Å; F407-F433 AromaticContact CD1-CE2 3.74Å; F407-F433 HydrophobicContact CD1-CE2 3.74Å; F407-F433 HydrophobicContact CD2-CE2 4.11Å; F407-F433 AromaticContact CE1-CD2 3.99Å; F407-F433 HydrophobicContact CE1-CD2 3.99Å; F407-F433 HydrophobicContact CE1-CE2 4.21Å; F407-F433 HydrophobicContact CG-CD2 4.23Å; F407-F433 AromaticContact CG-CE2 3.66Å; F407-F433 HydrophobicContact CG-CE2 3.66Å; V429-F433 HydrophobicContact CG1-CD2 4.02Å; V429-F433 HydrophobicContact CG1-CE2 3.53Å; V429-F433 HydrophobicContact CG1-CZ 4.44Å; V429-F433 VanDerWaalsContact O-CD2 3.22Å; V429-F433 WeakPolarHBondContact O-CD2 3.33Å; V429-F433 PolarHBondContact O-N 3.34Å; V429-F433 VanDerWaalsContact O-N 3.14Å; E430-F433 PolarHBondContact O-N 3.47Å; S431-F433 VanDerWaalsContact C-N 3.33Å; S431-F433 PolarHBondContact O-N 3.04Å; F433-C435 VanDerWaalsContact C-N 3.32Å; F433-C435 PolarHBondContact O-N 3.22Å; F433-C436 PolarHBondContact O-N 3.34Å; F433-R459 HydrophobicContact CE1-CB 3.96Å |
| 434 | K | 93 | Very high | 96.5 | Very high | 181 Ų | 181 | 27.8 Ų | 27.8 | 79% | 0.787 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -63.5 | -34.8 | -174.2 | -174.8 | 57.5 | -178.6 | 176.3 | 0 | 113.9 | E430 S431 | E430-K434 PolarHBondContact O-N 2.84Å; S431-K434 PolarHBondContact O-N 2.76Å; S431-K434 VanDerWaalsContact O-N 3.16Å |
| 435 | C | 89.8 | Confident | 96.4 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 8.5 | 178.3 | 67.9 | 0 | 0 | 0 | 0 | 114 | S431 F433 A437 M520 | S431-C435 PolarHBondContact O-N 3.28Å; S431-C435 VanDerWaalsContact O-N 3.09Å; S431-C435 PolarHBondContact O-SG 2.98Å; F433-C435 VanDerWaalsContact C-N 3.32Å; F433-C435 PolarHBondContact O-N 3.22Å; C435-A437 VanDerWaalsContact C-N 3.26Å; C435-A437 PolarHBondContact O-N 3.05Å; C435-M520 HydrophobicContact CB-CB 4.33Å; C435-M520 HydrophobicContact CB-CG 4.46Å |
| 436 | C | 90.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 40% | 0.399 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 49.5 | -174 | -56.4 | 0 | 0 | 0 | 0 | 111.9 | M19 F23 S432 F433 | M19-C436 HydrophobicContact CE-CB 4.42Å; F23-C436 HydrophobicContact CE2-CB 3.81Å; F23-C436 HydrophobicContact CZ-CB 4.17Å; S432-C436 WeakPolarHBondContact O-CA 3.3Å; S432-C436 PolarHBondContact O-N 2.77Å; S432-C436 VanDerWaalsContact O-N 3.15Å; F433-C436 PolarHBondContact O-N 3.34Å |
| 437 | A | 94.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | trans | -58 | 139.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S432 C435 A439 C460 M520 I522 | S432-A437 PolarHBondContact O-N 3.07Å; C435-A437 VanDerWaalsContact C-N 3.26Å; C435-A437 PolarHBondContact O-N 3.05Å; A437-A439 VanDerWaalsContact C-N 3.28Å; A437-A439 PolarHBondContact O-N 3.43Å; A437-C460 WeakPolarHBondContact O-CB 3.39Å; A437-C460 PolarHBondContact O-SG 3.46Å; A437-M520 CarbonylContact C-O 3.37Å; A437-M520 VanDerWaalsContact CA-O 3.22Å; A437-M520 WeakPolarHBondContact CA-O 3.37Å; A437-I522 HydrophobicContact CB-CG1 4.01Å | ||
| 438 | G | 93.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -69.2 | -25.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P461 M520 | G438-P461 WeakPolarHBondContact O-CD 3.41Å; G438-M520 PolarHBondContact N-O 3.42Å |
| 439 | A | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 165.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A437 P461 I463 F515 I522 | A437-A439 VanDerWaalsContact C-N 3.28Å; A437-A439 PolarHBondContact O-N 3.43Å; A439-P461 VanDerWaalsContact CA-O 3.31Å; A439-P461 WeakPolarHBondContact CA-O 3.18Å; A439-P461 HydrophobicContact CB-CG 4.3Å; A439-P461 WeakPolarHBondContact CB-O 3.29Å; A439-I463 HydrophobicContact CB-CD1 4.18Å; A439-I463 HydrophobicContact CB-CG1 4.39Å; A439-F515 HydrophobicContact CB-CD1 3.67Å; A439-F515 HydrophobicContact CB-CE1 3.45Å; A439-F515 VanDerWaalsContact CB-CE1 3.45Å; A439-I522 PolarHBondContact O-N 3.4Å |
| 440 | I | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.3 | 160.3 | -52.3 | -179.8 | 0 | 0 | 0 | 108.4 | V429 L453 P458 P461 I462 I463 I522 V524 | V429-I440 HydrophobicContact CG2-CD1 4Å; I440-L453 HydrophobicContact CD1-CD2 4.32Å; I440-L453 HydrophobicContact CG2-CD1 3.85Å; I440-L453 HydrophobicContact CG2-CD2 4.26Å; I440-P458 HydrophobicContact CD1-CB 3.97Å; I440-P458 HydrophobicContact CD1-CG 4.08Å; I440-P461 PolarHBondContact N-O 2.87Å; I440-I462 HydrophobicContact CB-CG1 4.37Å; I440-I462 CarbonylContact O-C 3.6Å; I440-I462 VanDerWaalsContact O-CA 3.24Å; I440-I462 WeakPolarHBondContact O-CA 3.44Å; I440-I463 PolarHBondContact O-N 3.05Å; I440-I522 CarbonylContact C-O 3.55Å; I440-I522 VanDerWaalsContact CA-O 3.31Å; I440-I522 WeakPolarHBondContact CA-O 3.41Å; I440-I522 HydrophobicContact CG1-CB 4.26Å; I440-I522 HydrophobicContact CG2-CB 4.33Å; I440-I522 HydrophobicContact CG2-CG2 4.42Å; I440-V524 HydrophobicContact CG2-CG2 3.95Å |
| 441 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.2 | 173.2 | -61.1 | 169.5 | 0 | 0 | 0 | 108.3 | I463 V465 M506 F515 I522 V523 V524 | I441-I463 HydrophobicContact CG1-CB 4.28Å; I441-I463 HydrophobicContact CG1-CD1 4.33Å; I441-V465 HydrophobicContact CG2-CG2 4.33Å; I441-M506 HydrophobicContact CD1-CE 3.8Å; I441-M506 HydrophobicContact CD1-CG 3.92Å; I441-M506 HydrophobicContact CD1-SD 3.31Å; I441-M506 WeakPolarHBondContact CD1-SD 3.23Å; I441-F515 HydrophobicContact CD1-CZ 4.43Å; I441-I522 PolarHBondContact N-O 3.14Å; I441-V523 HydrophobicContact CB-CG2 4.44Å; I441-V523 CarbonylContact O-C 3.55Å; I441-V523 WeakPolarHBondContact O-CA 3.36Å; I441-V524 PolarHBondContact O-N 2.9Å |
| 442 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 131.5 | -179.9 | 63 | 0 | 0 | 0 | 0 | 111.2 | A450 L453 I462 I463 A464 V465 V524 | V442-A450 HydrophobicContact CG1-CB 3.91Å; V442-L453 HydrophobicContact CB-CD1 3.64Å; V442-L453 HydrophobicContact CG1-CD1 3.94Å; V442-L453 HydrophobicContact CG2-CD1 3.78Å; V442-I462 HydrophobicContact CG1-CG2 3.58Å; V442-I463 PolarHBondContact N-O 3.2Å; V442-A464 HydrophobicContact CG1-CB 3.95Å; V442-A464 WeakPolarHBondContact O-CA 3.39Å; V442-V465 PolarHBondContact O-N 3.02Å; V442-V524 WeakPolarHBondContact CA-O 3.5Å; V442-V524 HydrophobicContact CB-CB 4.31Å; V442-V524 HydrophobicContact CG2-CB 4.14Å; V442-V524 HydrophobicContact CG2-CG1 4.16Å |
| 443 | L | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.1 | 171.1 | -54.9 | -171 | 0 | 0 | 0 | 109.3 | V465 V498 R501 V502 V524 T525 | L443-V465 HydrophobicContact CD2-CB 3.71Å; L443-V465 HydrophobicContact CD2-CG1 4.22Å; L443-V465 HydrophobicContact CD2-CG2 4.2Å; L443-V498 HydrophobicContact CD1-CB 4.29Å; L443-V498 HydrophobicContact CD1-CG1 3.89Å; L443-V498 HydrophobicContact CD1-CG2 4.29Å; L443-R501 HydrophobicContact CD1-CB 4.11Å; L443-R501 HydrophobicContact CD2-CB 3.55Å; L443-R501 HydrophobicContact CG-CB 4.49Å; L443-V502 HydrophobicContact CD1-CG2 4.18Å; L443-V502 HydrophobicContact CD2-CG2 4.4Å; L443-V502 HydrophobicContact CG-CG2 4.43Å; L443-V524 PolarHBondContact N-O 3Å; L443-V524 VanDerWaalsContact N-O 3.16Å; L443-T525 HydrophobicContact CD1-CG2 3.69Å; L443-T525 HydrophobicContact CG-CG2 3.88Å |
| 444 | T | 97.8 | Very high | 96.7 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | trans | -141.5 | 139.6 | -176.8 | -164.5 | 0 | 0 | 0 | 0 | 113.1 | G447 A450 A464 V465 T466 | T444-G447 VanDerWaalsContact OG1-CA 3.29Å; T444-G447 WeakPolarHBondContact OG1-CA 3.07Å; T444-G447 PolarHBondContact OG1-N 2.64Å; T444-A450 HydrophobicContact CG2-CB 4.37Å; T444-A464 HydrophobicContact CG2-CB 4.29Å; T444-V465 PolarHBondContact N-O 2.92Å; T444-T466 WeakPolarHBondContact O-CA 3.4Å; T444-T466 WeakPolarHBondContact O-CB 3.39Å; T444-T466 PolarHBondContact O-OG1 3.26Å; T444-T466 VanDerWaalsContact O-OG1 3.04Å | ||
| 445 | T | 95.7 | Very high | 96.9 | Very high | 83 Ų | 83 | 24.9 Ų | 24.9 | 51% | 0.509 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -99.8 | -43.1 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | V471 | T445-V471 WeakPolarHBondContact O-CG2 3.31Š|
| 446 | S | 96.2 | Very high | 97.3 | Very high | 60 Ų | 60 | 22.7 Ų | 22.7 | 42% | 0.42 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -102.1 | -5.9 | -177.3 | 55.1 | 0 | 0 | 0 | 0 | 114 | R448 S531 | S446-R448 VanDerWaalsContact C-N 3.25Å; S446-R448 PolarHBondContact O-N 3.36Å; S446-S531 PolarHBondContact OG-OG 2.97Å |
| 447 | G | 97.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 7% | 0.072 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 86.5 | -16.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114 | T444 S449 A450 H451 | T444-G447 VanDerWaalsContact OG1-CA 3.29Å; T444-G447 WeakPolarHBondContact OG1-CA 3.07Å; T444-G447 PolarHBondContact OG1-N 2.64Å; G447-S449 PolarHBondContact O-N 3.02Å; G447-A450 PolarHBondContact O-N 3.3Å; G447-A450 VanDerWaalsContact O-N 3.13Å; G447-H451 PolarHBondContact O-N 2.82Å |
| 448 | R | 97.5 | Very high | 97.8 | Very high | 103 Ų | 103 | 20 Ų | 20 | 39% | 0.389 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -55.4 | -43.5 | -174.3 | -175.2 | 176.7 | -174.9 | -102.9 | -3 | 113.9 | D419 T421 S446 H451 L452 | D419-R448 IonicContact OD1-NH1 2.71Å; D419-R448 IonicContact OD2-CZ 2.77Å; D419-R448 VanDerWaalsContact OD2-CZ 3.3Å; D419-R448 IonicContact OD2-NH1 3.8Å; D419-R448 PolarHBondContact OD2-NH1 3.12Å; D419-R448 VanDerWaalsContact OD2-NH1 3.07Å; D419-R448 IonicContact OD2-NH2 2.92Å; D419-R448 PolarHBondContact OD2-NH2 2.85Å; T421-R448 PolarHBondContact OG1-NH1 3.16Å; S446-R448 VanDerWaalsContact C-N 3.25Å; S446-R448 PolarHBondContact O-N 3.36Å; R448-H451 WeakPolarHBondContact O-CB 3.43Å; R448-H451 PolarHBondContact O-N 2.88Å; R448-L452 HydrophobicContact CG-CD1 4.3Å; R448-L452 WeakPolarHBondContact O-CG 3.28Å; R448-L452 PolarHBondContact O-N 3.25Å |
| 449 | S | 98.1 | Very high | 97.8 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 8% | 0.077 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | -179 | -42.2 | 0 | 0 | 0 | 0 | 112.2 | G447 H451 L452 L453 T534 | G447-S449 PolarHBondContact O-N 3.02Å; S449-H451 VanDerWaalsContact C-N 3.34Å; S449-L452 PolarHBondContact O-N 3.24Å; S449-L453 WeakPolarHBondContact O-CG 3.33Å; S449-L453 PolarHBondContact O-N 3.38Å; S449-L453 VanDerWaalsContact O-N 3.15Å; S449-T534 PolarHBondContact OG-OG1 3.29Å |
| 450 | A | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -67.3 | -38.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V442 T444 G447 L453 S454 A464 V481 | V442-A450 HydrophobicContact CG1-CB 3.91Å; T444-A450 HydrophobicContact CG2-CB 4.37Å; G447-A450 PolarHBondContact O-N 3.3Å; G447-A450 VanDerWaalsContact O-N 3.13Å; A450-L453 PolarHBondContact O-N 2.77Å; A450-S454 WeakPolarHBondContact O-CB 3.32Å; A450-S454 PolarHBondContact O-N 2.87Å; A450-A464 HydrophobicContact CB-CB 3.77Å; A450-V481 HydrophobicContact CB-CG1 4.22Å; A450-V481 HydrophobicContact CB-CG2 4.27Å |
| 451 | H | 98.5 | Very high | 97.7 | Very high | 58 Ų | 58 | 22.2 Ų | 22.2 | 27% | 0.269 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -60.2 | -49.5 | 173.5 | -170 | 165.1 | 0 | 0 | 0 | 111.6 | G333 G447 R448 S449 L453 S454 R455 L478 | G333-H451 PolarHBondContact O-CE1 2.86Å; G333-H451 PolarHBondContact O-NE2 3.02Å; G447-H451 PolarHBondContact O-N 2.82Å; R448-H451 WeakPolarHBondContact O-CB 3.43Å; R448-H451 PolarHBondContact O-N 2.88Å; S449-H451 VanDerWaalsContact C-N 3.34Å; H451-L453 VanDerWaalsContact C-N 3.28Å; H451-L453 PolarHBondContact O-N 2.74Å; H451-S454 WeakPolarHBondContact O-CB 3.26Å; H451-S454 PolarHBondContact O-N 2.83Å; H451-S454 VanDerWaalsContact O-N 3.14Å; H451-R455 PolarHBondContact O-N 3.45Å; H451-L478 HydrophobicContact CB-CD1 3.84Å; H451-L478 HydrophobicContact CB-CD2 4.05Å |
| 452 | L | 98.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.089 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.6 | -38 | 177.9 | -71.2 | 171.5 | 0 | 0 | 0 | 112.3 | T421 E422 A425 R448 S449 Y456 | T421-L452 WeakPolarHBondContact OG1-CD1 3.46Å; E422-L452 HydrophobicContact CB-CD1 4.49Å; E422-L452 HydrophobicContact CB-CD2 4.4Å; E422-L452 HydrophobicContact CG-CD2 4.42Å; A425-L452 HydrophobicContact CB-CB 3.75Å; R448-L452 HydrophobicContact CG-CD1 4.3Å; R448-L452 WeakPolarHBondContact O-CG 3.28Å; R448-L452 PolarHBondContact O-N 3.25Å; S449-L452 PolarHBondContact O-N 3.24Å; L452-Y456 WeakPolarHBondContact O-CD2 3.47Å |
| 453 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.6 | -46.5 | 173.7 | -70.1 | 165.3 | 0 | 0 | 0 | 111.7 | A425 A428 V429 I440 V442 S449 A450 H451 R455 Y456 P458 I462 V524 | A425-L453 HydrophobicContact CB-CD2 4Å; A425-L453 HydrophobicContact CB-CG 4.26Å; A428-L453 HydrophobicContact CB-CD2 3.74Å; V429-L453 HydrophobicContact CG2-CD2 4Å; I440-L453 HydrophobicContact CD1-CD2 4.32Å; I440-L453 HydrophobicContact CG2-CD1 3.85Å; I440-L453 HydrophobicContact CG2-CD2 4.26Å; V442-L453 HydrophobicContact CB-CD1 3.64Å; V442-L453 HydrophobicContact CG1-CD1 3.94Å; V442-L453 HydrophobicContact CG2-CD1 3.78Å; S449-L453 WeakPolarHBondContact O-CG 3.33Å; S449-L453 PolarHBondContact O-N 3.38Å; S449-L453 VanDerWaalsContact O-N 3.15Å; A450-L453 PolarHBondContact O-N 2.77Å; H451-L453 VanDerWaalsContact C-N 3.28Å; H451-L453 PolarHBondContact O-N 2.74Å; L453-R455 VanDerWaalsContact C-N 3.28Å; L453-R455 PolarHBondContact O-N 2.79Å; L453-Y456 PolarHBondContact O-N 3.45Å; L453-P458 VanDerWaalsContact O-CD 3.32Å; L453-P458 WeakPolarHBondContact O-CD 3.2Å; L453-I462 HydrophobicContact CB-CD1 3.73Å; L453-I462 HydrophobicContact CB-CG1 4.34Å; L453-I462 HydrophobicContact CB-CG2 4.45Å; L453-I462 HydrophobicContact CD1-CG2 4.1Å; L453-V524 HydrophobicContact CD1-CG2 4.43Å; L453-V524 HydrophobicContact CD2-CG2 4.49Å |
| 454 | S | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.1 | -38 | 179.3 | 177 | 0 | 0 | 0 | 0 | 112.7 | A450 H451 Y456 R457 R479 | A450-S454 WeakPolarHBondContact O-CB 3.32Å; A450-S454 PolarHBondContact O-N 2.87Å; H451-S454 WeakPolarHBondContact O-CB 3.26Å; H451-S454 PolarHBondContact O-N 2.83Å; H451-S454 VanDerWaalsContact O-N 3.14Å; S454-Y456 PolarHBondContact O-N 2.87Å; S454-Y456 VanDerWaalsContact O-N 3.17Å; S454-R457 WeakPolarHBondContact O-CD 3.25Å; S454-R457 PolarHBondContact O-N 2.94Å; S454-R479 WeakPolarHBondContact CB-O 3.45Å; S454-R479 PolarHBondContact OG-N 3.39Å; S454-R479 PolarHBondContact OG-O 2.92Å |
| 455 | R | 97.8 | Very high | 97.7 | Very high | 42 Ų | 42 | 21.5 Ų | 21.5 | 16% | 0.158 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -52.5 | -37 | 176.5 | 177.8 | 179.2 | -173.8 | -166.9 | 0.8 | 112.9 | S331 T414 E422 H451 L453 R457 | S331-R455 PolarHBondContact O-NH2 3.06Å; T414-R455 PolarHBondContact OG1-NH2 2.76Å; E422-R455 IonicContact OE1-CZ 3.5Å; E422-R455 IonicContact OE1-NH1 2.72Å; E422-R455 PolarHBondContact OE1-NH1 3.33Å; H451-R455 PolarHBondContact O-N 3.45Å; L453-R455 VanDerWaalsContact C-N 3.28Å; L453-R455 PolarHBondContact O-N 2.79Å; R455-R457 VanDerWaalsContact C-N 3.3Å |
| 456 | Y | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 7.7 | -178.2 | -66.2 | -69.6 | 0 | 0 | 0 | 113.8 | F407 L410 R411 T414 E422 I426 L452 L453 S454 | F407-Y456 HydrophobicContact CD2-CD1 4.5Å; F407-Y456 WeakPolarHBondContact CD2-O 3.45Å; F407-Y456 HydrophobicContact CE2-CD1 4.23Å; F407-Y456 HydrophobicContact CE2-CG 4.33Å; L410-Y456 HydrophobicContact CB-CD1 4.43Å; R411-Y456 HydrophobicContact CG-CD1 4.43Å; T414-Y456 WeakPolarHBondContact CG2-OH 3.48Å; E422-Y456 PolarHBondContact OE1-OH 2.74Å; I426-Y456 HydrophobicContact CD1-CE1 4.26Å; I426-Y456 HydrophobicContact CD1-CE2 4.25Å; I426-Y456 WeakPolarHBondContact CD1-OH 3.27Å; I426-Y456 HydrophobicContact CG1-CD1 4.31Å; I426-Y456 HydrophobicContact CG1-CD2 3.95Å; I426-Y456 HydrophobicContact CG1-CE1 3.76Å; I426-Y456 HydrophobicContact CG1-CE2 3.37Å; I426-Y456 HydrophobicContact CG1-CG 4.41Å; L452-Y456 WeakPolarHBondContact O-CD2 3.47Å; L453-Y456 PolarHBondContact O-N 3.45Å; S454-Y456 PolarHBondContact O-N 2.87Å; S454-Y456 VanDerWaalsContact O-N 3.17Å |
| 457 | R | 98.3 | Very high | 97.9 | Very high | 8 Ų | 8 | 18.3 Ų | 18.3 | 3% | 0.03 | 8% | 0.08 | C | C | . | . | trans | 52.2 | 54.6 | 167.4 | -57.7 | -65.9 | 178.9 | 103.8 | -13.6 | 113.7 | N330 G367 D369 H403 L406 L410 S454 R455 | N330-R457 PolarHBondContact OD1-NH2 3.49Å; G367-R457 VanDerWaalsContact CA-NH1 3.28Å; G367-R457 VanDerWaalsContact O-CZ 3.26Å; G367-R457 PolarHBondContact O-NH1 2.99Å; G367-R457 PolarHBondContact O-NH2 3.47Å; D369-R457 IonicContact OD1-CZ 3.1Å; D369-R457 IonicContact OD1-NE 2.7Å; D369-R457 IonicContact OD1-NH2 2.81Å; D369-R457 PolarHBondContact OD1-NH2 3.44Å; D369-R457 IonicContact OD2-NH2 3.92Å; D369-R457 PolarHBondContact OD2-NH2 2.98Å; H403-R457 PolarHBondContact CD2-O 2.97Å; L406-R457 HydrophobicContact CD2-CB 3.96Å; L406-R457 HydrophobicContact CD2-CG 4.18Å; L410-R457 HydrophobicContact CD1-CB 4.13Å; L410-R457 HydrophobicContact CD1-CG 3.72Å; S454-R457 WeakPolarHBondContact O-CD 3.25Å; S454-R457 PolarHBondContact O-N 2.94Å; R455-R457 VanDerWaalsContact C-N 3.3Å | ||
| 458 | P | 97.6 | Very high | 98 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.019 | 9% | 0.089 | C | C | . | . | trans | -58.9 | 148.8 | 171.1 | 27.4 | -34.1 | 0 | 0 | 0 | 110.5 | V429 I440 L453 I462 | V429-P458 HydrophobicContact CG1-CB 4.04Å; V429-P458 HydrophobicContact CG2-CB 4.19Å; V429-P458 HydrophobicContact CG2-CG 4.15Å; I440-P458 HydrophobicContact CD1-CB 3.97Å; I440-P458 HydrophobicContact CD1-CG 4.08Å; L453-P458 VanDerWaalsContact O-CD 3.32Å; L453-P458 WeakPolarHBondContact O-CD 3.2Å; P458-I462 HydrophobicContact CG-CD1 3.73Å; P458-I462 HydrophobicContact CG-CG1 3.86Å | ||
| 459 | R | 94.9 | Very high | 98 | Very high | 38 Ų | 38 | 17.6 Ų | 17.6 | 14% | 0.143 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -70 | -40.2 | 175.6 | -176.6 | 178.9 | -178 | 170.9 | 3.3 | 111.7 | Q27 S32 N55 F433 | Q27-R459 PolarHBondContact O-NH2 3.28Å; S32-R459 PolarHBondContact OG-NH1 3.11Å; N55-R459 PolarHBondContact ND2-O 3.4Å; N55-R459 VanDerWaalsContact ND2-O 3.08Å; F433-R459 HydrophobicContact CE1-CB 3.96Å |
| 460 | C | 95.8 | Very high | 98 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 8% | 0.081 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -78.1 | 154.3 | 179.1 | 65.7 | 0 | 0 | 0 | 0 | 112.1 | A437 | A437-C460 WeakPolarHBondContact O-CB 3.39Å; A437-C460 PolarHBondContact O-SG 3.46Å |
| 461 | P | 97.9 | Very high | 98 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | trans | -66.8 | 148.7 | 178.3 | 28.3 | -36.3 | 0 | 0 | 0 | 112 | A53 G438 A439 I440 F514 | A53-P461 HydrophobicContact CB-CB 4.02Å; A53-P461 HydrophobicContact CB-CG 3.87Å; G438-P461 WeakPolarHBondContact O-CD 3.41Å; A439-P461 VanDerWaalsContact CA-O 3.31Å; A439-P461 WeakPolarHBondContact CA-O 3.18Å; A439-P461 HydrophobicContact CB-CG 4.3Å; A439-P461 WeakPolarHBondContact CB-O 3.29Å; I440-P461 PolarHBondContact N-O 2.87Å; P461-F514 HydrophobicContact CG-CB 4.25Å; P461-F514 HydrophobicContact CG-CD2 4.11Å; P461-F514 HydrophobicContact CG-CG 4.16Å | ||
| 462 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105.9 | 173.7 | -57.6 | 159.7 | 0 | 0 | 0 | 108.3 | I440 V442 L453 P458 A464 G480 V481 F482 | I440-I462 HydrophobicContact CB-CG1 4.37Å; I440-I462 CarbonylContact O-C 3.6Å; I440-I462 VanDerWaalsContact O-CA 3.24Å; I440-I462 WeakPolarHBondContact O-CA 3.44Å; V442-I462 HydrophobicContact CG1-CG2 3.58Å; L453-I462 HydrophobicContact CB-CD1 3.73Å; L453-I462 HydrophobicContact CB-CG1 4.34Å; L453-I462 HydrophobicContact CB-CG2 4.45Å; L453-I462 HydrophobicContact CD1-CG2 4.1Å; P458-I462 HydrophobicContact CG-CD1 3.73Å; P458-I462 HydrophobicContact CG-CG1 3.86Å; I462-A464 PolarHBondContact O-N 3.48Å; I462-G480 PolarHBondContact N-O 3.37Å; I462-V481 HydrophobicContact CB-CG2 4.28Å; I462-V481 HydrophobicContact CD1-CG2 4.16Å; I462-V481 HydrophobicContact CG2-CG2 4.42Å; I462-V481 CarbonylContact O-C 3.58Å; I462-V481 WeakPolarHBondContact O-CA 3.44Å; I462-F482 PolarHBondContact O-N 2.9Å |
| 463 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 102.5 | 175 | -55.7 | 176.5 | 0 | 0 | 0 | 108.4 | A439 I440 I441 V442 V465 F482 A484 G505 I508 F514 F515 | A439-I463 HydrophobicContact CB-CD1 4.18Å; A439-I463 HydrophobicContact CB-CG1 4.39Å; I440-I463 PolarHBondContact O-N 3.05Å; I441-I463 HydrophobicContact CG1-CB 4.28Å; I441-I463 HydrophobicContact CG1-CD1 4.33Å; V442-I463 PolarHBondContact N-O 3.2Å; I463-V465 HydrophobicContact CG2-CG2 4.24Å; I463-V465 PolarHBondContact O-N 3.22Å; I463-F482 WeakPolarHBondContact CA-O 3.19Å; I463-A484 HydrophobicContact CG2-CB 4.03Å; I463-G505 WeakPolarHBondContact CD1-O 3.34Å; I463-I508 HydrophobicContact CG2-CG2 4.47Å; I463-F514 HydrophobicContact CD1-CD2 4.09Å; I463-F514 HydrophobicContact CG1-CD2 4.36Å; I463-F515 HydrophobicContact CD1-CE1 3.87Å; I463-F515 HydrophobicContact CD1-CZ 4.34Å |
| 464 | A | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 99.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | V442 T444 A450 I462 V481 F482 A484 | V442-A464 HydrophobicContact CG1-CB 3.95Å; V442-A464 WeakPolarHBondContact O-CA 3.39Å; T444-A464 HydrophobicContact CG2-CB 4.29Å; A450-A464 HydrophobicContact CB-CB 3.77Å; I462-A464 PolarHBondContact O-N 3.48Å; A464-V481 HydrophobicContact CB-CG1 3.53Å; A464-F482 PolarHBondContact N-O 2.67Å; A464-A484 PolarHBondContact O-N 3.41Å |
| 465 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.9 | 180 | -173.1 | 0 | 0 | 0 | 0 | 110 | I441 V442 L443 T444 I463 A484 F486 R501 F504 | I441-V465 HydrophobicContact CG2-CG2 4.33Å; V442-V465 PolarHBondContact O-N 3.02Å; L443-V465 HydrophobicContact CD2-CB 3.71Å; L443-V465 HydrophobicContact CD2-CG1 4.22Å; L443-V465 HydrophobicContact CD2-CG2 4.2Å; T444-V465 PolarHBondContact N-O 2.92Å; I463-V465 HydrophobicContact CG2-CG2 4.24Å; I463-V465 PolarHBondContact O-N 3.22Å; V465-A484 WeakPolarHBondContact CA-O 3.43Å; V465-A484 HydrophobicContact CG2-CB 4.08Å; V465-F486 HydrophobicContact CG1-CB 3.86Å; V465-F486 HydrophobicContact CG1-CG 4.43Å; V465-R501 HydrophobicContact CG1-CB 3.97Å; V465-R501 HydrophobicContact CG1-CG 4.2Å; V465-F504 HydrophobicContact CG1-CD1 4.05Å |
| 466 | T | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.018 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.9 | -178.5 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | T444 S468 V471 A472 A484 L485 F486 | T444-T466 WeakPolarHBondContact O-CA 3.4Å; T444-T466 WeakPolarHBondContact O-CB 3.39Å; T444-T466 PolarHBondContact O-OG1 3.26Å; T444-T466 VanDerWaalsContact O-OG1 3.04Å; T466-S468 PolarHBondContact OG1-N 2.87Å; T466-V471 HydrophobicContact CG2-CG1 4.34Å; T466-A472 HydrophobicContact CG2-CB 3.79Å; T466-A484 PolarHBondContact N-O 3.07Å; T466-L485 WeakPolarHBondContact O-CA 3.48Å; T466-F486 PolarHBondContact O-N 3.27Å |
| 467 | R | 97.6 | Very high | 98.1 | Very high | 73 Ų | 73 | 19.1 Ų | 19.1 | 28% | 0.275 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -92.6 | -9.2 | 169.3 | -63 | -171.2 | 161.3 | 99.6 | -4 | 113 | P469 F486 P488 L489 D497 | R467-P469 WeakPolarHBondContact O-CD 3.46Å; R467-F486 HydrophobicContact CG-CB 4.49Å; R467-F486 HydrophobicContact CG-CD1 4.34Å; R467-F486 WeakPolarHBondContact CG-O 3.46Å; R467-F486 VanDerWaalsContact NH2-CE1 3.27Å; R467-P488 PolarHBondContact NE-O 3.37Å; R467-P488 PolarHBondContact NH2-O 3.49Å; R467-L489 PolarHBondContact NH2-O 3.39Å; R467-L489 VanDerWaalsContact NH2-O 3.15Å; R467-D497 IonicContact CZ-OD1 3.39Å; R467-D497 IonicContact CZ-OD2 3.76Å; R467-D497 IonicContact NH1-OD1 3.27Å; R467-D497 PolarHBondContact NH1-OD1 3.26Å; R467-D497 IonicContact NH1-OD2 2.86Å; R467-D497 PolarHBondContact NH1-OD2 3.22Å; R467-D497 IonicContact NH2-OD1 2.67Å; R467-D497 PolarHBondContact NH2-OD1 3.33Å; R467-D497 IonicContact NH2-OD2 3.74Å |
| 468 | S | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 19.3 Ų | 19.3 | 26% | 0.259 | 10% | 0.097 | S | C | . | . | trans | -91.5 | 113.5 | -177.4 | 171 | 0 | 0 | 0 | 0 | 110.2 | T466 Q470 V471 A472 | T466-S468 PolarHBondContact OG1-N 2.87Å; S468-Q470 VanDerWaalsContact C-N 3.28Å; S468-Q470 PolarHBondContact O-N 3.34Å; S468-V471 PolarHBondContact O-N 3.44Å; S468-V471 WeakPolarHBondContact OG-CG2 3.41Å; S468-V471 PolarHBondContact OG-N 2.91Å; S468-A472 PolarHBondContact O-N 3.35Å | ||
| 469 | P | 97.9 | Very high | 98.1 | Very high | 59 Ų | 59 | 19.4 Ų | 19.4 | 38% | 0.383 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -61.6 | -36.7 | 179.1 | -23.5 | 35 | 0 | 0 | 0 | 112.5 | R467 A472 R473 L485 | R467-P469 WeakPolarHBondContact O-CD 3.46Å; P469-A472 PolarHBondContact O-N 3.13Å; P469-R473 WeakPolarHBondContact O-CG 3.37Å; P469-R473 PolarHBondContact O-N 3.19Å; P469-R473 PolarHBondContact O-NH1 3.43Å; P469-L485 HydrophobicContact CB-CD1 4.47Å; P469-L485 HydrophobicContact CB-CD2 4.36Å; P469-L485 HydrophobicContact CG-CD1 4.19Å; P469-L485 HydrophobicContact CG-CD2 4.36Å |
| 470 | Q | 98 | Very high | 98.3 | Very high | 54 Ų | 54 | 17.8 Ų | 17.8 | 25% | 0.252 | 9% | 0.092 | S | C | . | . | H | α-helix | trans | -66.3 | -41 | 177.5 | -174.7 | 175.4 | 51.2 | 0 | 0 | 111.5 | S468 R473 Q474 | S468-Q470 VanDerWaalsContact C-N 3.28Å; S468-Q470 PolarHBondContact O-N 3.34Å; Q470-R473 PolarHBondContact O-N 3.4Å; Q470-Q474 HydrophobicContact CG-CG 4.26Å; Q470-Q474 WeakPolarHBondContact O-CB 3.36Å; Q470-Q474 VanDerWaalsContact O-CG 3.31Å; Q470-Q474 WeakPolarHBondContact O-CG 3.38Å; Q470-Q474 PolarHBondContact O-N 3.48Å |
| 471 | V | 98.3 | Very high | 98.4 | Very high | 14 Ų | 14 | 17.7 Ų | 17.7 | 9% | 0.085 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -67.2 | -39.3 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | T445 T466 S468 R473 Q474 S475 | T445-V471 WeakPolarHBondContact O-CG2 3.31Å; T466-V471 HydrophobicContact CG2-CG1 4.34Å; S468-V471 PolarHBondContact O-N 3.44Å; S468-V471 WeakPolarHBondContact OG-CG2 3.41Å; S468-V471 PolarHBondContact OG-N 2.91Å; V471-R473 VanDerWaalsContact C-N 3.33Å; V471-R473 PolarHBondContact O-N 3.38Å; V471-Q474 PolarHBondContact O-N 3.47Å; V471-S475 VanDerWaalsContact O-CB 3.28Å; V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 2.92Å; V471-S475 PolarHBondContact O-OG 2.81Å |
| 472 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.7 | -46.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A118 T466 S468 P469 P483 L485 | A118-A472 HydrophobicContact CB-CB 3.98Å; T466-A472 HydrophobicContact CG2-CB 3.79Å; S468-A472 PolarHBondContact O-N 3.35Å; P469-A472 PolarHBondContact O-N 3.13Å; A472-P483 HydrophobicContact CB-CB 4.04Å; A472-P483 WeakPolarHBondContact O-CB 3.26Å; A472-P483 VanDerWaalsContact O-CG 3.27Å; A472-P483 WeakPolarHBondContact O-CG 3.37Å; A472-L485 HydrophobicContact CB-CD1 4.47Å |
| 473 | R | 98.8 | Very high | 98.4 | Very high | 54 Ų | 54 | 20 Ų | 20 | 20% | 0.204 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -50.8 | 176.6 | -70.8 | -172.5 | -54.1 | -93.8 | 0.4 | 112.3 | A118 V119 A120 D250 P469 Q470 V471 S475 Q476 | A118-R473 HydrophobicContact CB-CG 4.16Å; V119-R473 WeakPolarHBondContact O-CD 3.43Å; V119-R473 WeakPolarHBondContact O-CG 3.46Å; A120-R473 HydrophobicContact CB-CB 3.99Å; A120-R473 WeakPolarHBondContact CB-O 3.31Å; D250-R473 HydrophobicContact CB-CB 4.5Å; D250-R473 VanDerWaalsContact CG-NE 3.25Å; D250-R473 IonicContact OD1-CZ 3.04Å; D250-R473 IonicContact OD1-NE 3.01Å; D250-R473 PolarHBondContact OD1-NE 3.06Å; D250-R473 IonicContact OD1-NH2 3.17Å; D250-R473 PolarHBondContact OD1-NH2 3.44Å; D250-R473 VanDerWaalsContact OD2-CD 3.32Å; D250-R473 WeakPolarHBondContact OD2-CD 3.38Å; D250-R473 IonicContact OD2-NE 3.21Å; D250-R473 PolarHBondContact OD2-NE 3.31Å; P469-R473 WeakPolarHBondContact O-CG 3.37Å; P469-R473 PolarHBondContact O-N 3.19Å; P469-R473 PolarHBondContact O-NH1 3.43Å; Q470-R473 PolarHBondContact O-N 3.4Å; V471-R473 VanDerWaalsContact C-N 3.33Å; V471-R473 PolarHBondContact O-N 3.38Å; R473-S475 PolarHBondContact O-N 2.97Å; R473-Q476 WeakPolarHBondContact O-CB 3.32Å; R473-Q476 WeakPolarHBondContact O-CG 3.42Å; R473-Q476 PolarHBondContact O-N 2.81Å |
| 474 | Q | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 20.1 Ų | 20.1 | 9% | 0.089 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -64.1 | -28.1 | -178.8 | -71.9 | 178.5 | -16 | 0 | 0 | 113.6 | D250 H276 K278 Q470 V471 Q476 L477 | D250-Q474 HydrophobicContact CB-CG 3.98Å; D250-Q474 PolarHBondContact O-NE2 3.46Å; H276-Q474 PolarHBondContact O-NE2 3.4Å; K278-Q474 HydrophobicContact CG-CB 4.39Å; K278-Q474 HydrophobicContact CG-CG 4.09Å; Q470-Q474 HydrophobicContact CG-CG 4.26Å; Q470-Q474 WeakPolarHBondContact O-CB 3.36Å; Q470-Q474 VanDerWaalsContact O-CG 3.31Å; Q470-Q474 WeakPolarHBondContact O-CG 3.38Å; Q470-Q474 PolarHBondContact O-N 3.48Å; V471-Q474 PolarHBondContact O-N 3.47Å; Q474-Q476 PolarHBondContact O-N 3.04Å; Q474-Q476 VanDerWaalsContact O-N 3.16Å; Q474-L477 WeakPolarHBondContact O-CB 3.35Å; Q474-L477 PolarHBondContact O-N 2.87Å; Q474-L477 VanDerWaalsContact O-N 3.1Å |
| 475 | S | 98.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 4% | 0.035 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -64.5 | -15.4 | 176.1 | -61.4 | 0 | 0 | 0 | 0 | 113 | V471 R473 L477 L478 | V471-S475 VanDerWaalsContact O-CB 3.28Å; V471-S475 WeakPolarHBondContact O-CB 3.4Å; V471-S475 PolarHBondContact O-N 2.92Å; V471-S475 PolarHBondContact O-OG 2.81Å; R473-S475 PolarHBondContact O-N 2.97Å; S475-L477 PolarHBondContact O-N 3.44Å; S475-L477 VanDerWaalsContact O-N 3.15Å; S475-L478 WeakPolarHBondContact O-CB 3.45Å; S475-L478 PolarHBondContact O-N 3.47Å |
| 476 | Q | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.056 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -61.4 | -17.2 | 171.3 | -64.1 | -67.7 | -3.6 | 0 | 0 | 112.9 | S57 N81 I82 A118 R473 Q474 L478 P483 | S57-Q476 WeakPolarHBondContact CB-O 3.2Å; S57-Q476 PolarHBondContact OG-O 3.24Å; N81-Q476 HydrophobicContact CB-CB 4.17Å; N81-Q476 HydrophobicContact CB-CG 4.25Å; N81-Q476 PolarHBondContact ND2-OE1 2.79Å; I82-Q476 HydrophobicContact CD1-CB 4.03Å; I82-Q476 HydrophobicContact CG1-CB 3.8Å; A118-Q476 PolarHBondContact O-NE2 3.4Å; R473-Q476 WeakPolarHBondContact O-CB 3.32Å; R473-Q476 WeakPolarHBondContact O-CG 3.42Å; R473-Q476 PolarHBondContact O-N 2.81Å; Q474-Q476 PolarHBondContact O-N 3.04Å; Q474-Q476 VanDerWaalsContact O-N 3.16Å; Q476-L478 PolarHBondContact O-N 2.94Å; Q476-P483 HydrophobicContact CG-CG 4.33Å |
| 477 | L | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -72.7 | -16.3 | 172.3 | -75.2 | 167.9 | 0 | 0 | 0 | 113.5 | I82 I251 K278 I280 P335 I337 D369 Q474 S475 | I82-L477 HydrophobicContact CD1-CD2 3.94Å; I82-L477 HydrophobicContact CD1-CG 4.2Å; I251-L477 HydrophobicContact CD1-CD1 3.73Å; I251-L477 HydrophobicContact CD1-CD2 3.96Å; I251-L477 HydrophobicContact CD1-CG 3.71Å; I251-L477 HydrophobicContact CG1-CD1 3.92Å; I251-L477 HydrophobicContact CG1-CG 4.45Å; I251-L477 HydrophobicContact CG2-CD1 4.39Å; K278-L477 HydrophobicContact CB-CD1 4.06Å; K278-L477 HydrophobicContact CG-CD1 4.14Å; I280-L477 HydrophobicContact CD1-CD1 4.07Å; I280-L477 HydrophobicContact CD1-CD2 4.3Å; I280-L477 HydrophobicContact CG1-CD2 4.46Å; P335-L477 HydrophobicContact CB-CB 4.1Å; P335-L477 WeakPolarHBondContact CB-O 3.26Å; P335-L477 HydrophobicContact CG-CB 4Å; I337-L477 HydrophobicContact CD1-CD2 4.24Å; D369-L477 WeakPolarHBondContact CB-O 3.38Å; Q474-L477 WeakPolarHBondContact O-CB 3.35Å; Q474-L477 PolarHBondContact O-N 2.87Å; Q474-L477 VanDerWaalsContact O-N 3.1Å; S475-L477 PolarHBondContact O-N 3.44Å; S475-L477 VanDerWaalsContact O-N 3.15Å |
| 478 | L | 98.7 | Very high | 98.1 | Very high | 13 Ų | 13 | 26.9 Ų | 26.9 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -98.1 | 123 | -169.9 | -58 | 170.5 | 0 | 0 | 0 | 110.2 | P335 H451 S475 Q476 G480 V481 | P335-L478 HydrophobicContact CG-CD2 3.9Å; H451-L478 HydrophobicContact CB-CD1 3.84Å; H451-L478 HydrophobicContact CB-CD2 4.05Å; S475-L478 WeakPolarHBondContact O-CB 3.45Å; S475-L478 PolarHBondContact O-N 3.47Å; Q476-L478 PolarHBondContact O-N 2.94Å; L478-G480 PolarHBondContact O-N 3.3Å; L478-V481 HydrophobicContact CB-CB 3.95Å; L478-V481 HydrophobicContact CB-CG2 3.52Å; L478-V481 HydrophobicContact CD1-CG2 4.12Å; L478-V481 HydrophobicContact CG-CG2 4.49Å; L478-V481 PolarHBondContact O-N 2.86Å |
| 479 | R | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.7 | 176.8 | -178.2 | 174.7 | 157.2 | 74.4 | 7.7 | 111.7 | N55 T56 D369 E398 I401 S454 V481 | N55-R479 HydrophobicContact CB-CG 4.16Å; N55-R479 WeakPolarHBondContact O-CA 3.46Å; T56-R479 PolarHBondContact OG1-NH1 3.25Å; D369-R479 HydrophobicContact CB-CB 4.12Å; D369-R479 WeakPolarHBondContact OD1-CB 3.46Å; D369-R479 PolarHBondContact OD1-N 3.49Å; E398-R479 VanDerWaalsContact CG-NH1 3.31Å; E398-R479 IonicContact OE1-NH1 3.55Å; I401-R479 VanDerWaalsContact CD1-NH2 3.25Å; S454-R479 WeakPolarHBondContact CB-O 3.45Å; S454-R479 PolarHBondContact OG-N 3.39Å; S454-R479 PolarHBondContact OG-O 2.92Å; R479-V481 PolarHBondContact O-N 2.93Å |
| 480 | G | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N55 I462 L478 F482 | N55-G480 PolarHBondContact O-N 3Å; I462-G480 PolarHBondContact N-O 3.37Å; L478-G480 PolarHBondContact O-N 3.3Å; G480-F482 PolarHBondContact O-N 3.01Å |
| 481 | V | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.055 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 115.2 | -179.2 | -177 | 0 | 0 | 0 | 0 | 110.3 | A450 I462 A464 L478 R479 P483 | A450-V481 HydrophobicContact CB-CG1 4.22Å; A450-V481 HydrophobicContact CB-CG2 4.27Å; I462-V481 HydrophobicContact CB-CG2 4.28Å; I462-V481 HydrophobicContact CD1-CG2 4.16Å; I462-V481 HydrophobicContact CG2-CG2 4.42Å; I462-V481 CarbonylContact O-C 3.58Å; I462-V481 WeakPolarHBondContact O-CA 3.44Å; A464-V481 HydrophobicContact CB-CG1 3.53Å; L478-V481 HydrophobicContact CB-CB 3.95Å; L478-V481 HydrophobicContact CB-CG2 3.52Å; L478-V481 HydrophobicContact CD1-CG2 4.12Å; L478-V481 HydrophobicContact CG-CG2 4.49Å; L478-V481 PolarHBondContact O-N 2.86Å; R479-V481 PolarHBondContact O-N 2.93Å; V481-P483 WeakPolarHBondContact O-CD 3.23Å |
| 482 | F | 98.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 20% | 0.202 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.6 | 167.6 | -172.5 | -87.4 | 0 | 0 | 0 | 109.1 | I462 I463 A464 G480 I508 R512 F514 | I462-F482 PolarHBondContact O-N 2.9Å; I463-F482 WeakPolarHBondContact CA-O 3.19Å; A464-F482 PolarHBondContact N-O 2.67Å; G480-F482 PolarHBondContact O-N 3.01Å; F482-I508 HydrophobicContact CD1-CG2 4.15Å; F482-I508 HydrophobicContact CE1-CG2 3.67Å; F482-R512 HydrophobicContact CZ-CG 4.39Å; F482-F514 HydrophobicContact CB-CE2 4.36Å; F482-F514 HydrophobicContact CD1-CE2 4.12Å; F482-F514 HydrophobicContact CD2-CE2 4.01Å; F482-F514 AromaticContact CD2-CZ 3.79Å; F482-F514 HydrophobicContact CD2-CZ 3.79Å; F482-F514 HydrophobicContact CE1-CE2 4.46Å; F482-F514 HydrophobicContact CE2-CE2 4.35Å; F482-F514 AromaticContact CE2-CZ 3.94Å; F482-F514 HydrophobicContact CE2-CZ 3.94Å; F482-F514 AromaticContact CG-CE2 3.89Å; F482-F514 HydrophobicContact CG-CE2 3.89Å; F482-F514 HydrophobicContact CG-CZ 4.16Å; F482-F514 HydrophobicContact CZ-CZ 4.43Å |
| 483 | P | 98.3 | Very high | 97.4 | Very high | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132 | -178.2 | 28.9 | -33.8 | 0 | 0 | 0 | 111.8 | A118 A472 Q476 V481 | A118-P483 HydrophobicContact CB-CG 4.25Å; A472-P483 HydrophobicContact CB-CB 4.04Å; A472-P483 WeakPolarHBondContact O-CB 3.26Å; A472-P483 VanDerWaalsContact O-CG 3.27Å; A472-P483 WeakPolarHBondContact O-CG 3.37Å; Q476-P483 HydrophobicContact CG-CG 4.33Å; V481-P483 WeakPolarHBondContact O-CD 3.23Å |
| 484 | A | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 110.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | I463 A464 V465 T466 F486 F504 I508 | I463-A484 HydrophobicContact CG2-CB 4.03Å; A464-A484 PolarHBondContact O-N 3.41Å; V465-A484 WeakPolarHBondContact CA-O 3.43Å; V465-A484 HydrophobicContact CG2-CB 4.08Å; T466-A484 PolarHBondContact N-O 3.07Å; A484-F486 PolarHBondContact O-N 3.01Å; A484-F504 HydrophobicContact CB-CD1 4.49Å; A484-F504 HydrophobicContact CB-CE1 4.05Å; A484-I508 HydrophobicContact CB-CD1 3.38Å |
| 485 | L | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 44.8 Ų | 44.8 | 7% | 0.068 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.6 | -179.4 | -174.5 | 60.7 | 0 | 0 | 0 | 110.4 | Y116 T466 P469 A472 H487 | Y116-L485 HydrophobicContact CD1-CB 4.36Å; Y116-L485 HydrophobicContact CE1-CB 4.33Å; Y116-L485 HydrophobicContact CE1-CD2 4.04Å; T466-L485 WeakPolarHBondContact O-CA 3.48Å; P469-L485 HydrophobicContact CB-CD1 4.47Å; P469-L485 HydrophobicContact CB-CD2 4.36Å; P469-L485 HydrophobicContact CG-CD1 4.19Å; P469-L485 HydrophobicContact CG-CD2 4.36Å; A472-L485 HydrophobicContact CB-CD1 4.47Å; L485-H487 VanDerWaalsContact CD2-CE1 3.45Å; L485-H487 WeakPolarHBondContact CD2-CE1 3.48Å |
| 486 | F | 97.9 | Very high | 97 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | trans | -95.9 | 108.9 | 178.5 | -169.2 | -108.6 | 0 | 0 | 0 | 110.1 | V465 T466 R467 A484 P488 N500 R501 F504 | V465-F486 HydrophobicContact CG1-CB 3.86Å; V465-F486 HydrophobicContact CG1-CG 4.43Å; T466-F486 PolarHBondContact O-N 3.27Å; R467-F486 HydrophobicContact CG-CB 4.49Å; R467-F486 HydrophobicContact CG-CD1 4.34Å; R467-F486 WeakPolarHBondContact CG-O 3.46Å; R467-F486 VanDerWaalsContact NH2-CE1 3.27Å; A484-F486 PolarHBondContact O-N 3.01Å; F486-P488 HydrophobicContact CD1-CB 4.36Å; F486-P488 HydrophobicContact CD1-CG 4.41Å; F486-P488 HydrophobicContact CD2-CG 4.36Å; F486-P488 HydrophobicContact CE1-CB 3.65Å; F486-P488 HydrophobicContact CE1-CG 3.88Å; F486-P488 HydrophobicContact CE2-CB 4.47Å; F486-P488 HydrophobicContact CE2-CG 3.83Å; F486-P488 HydrophobicContact CZ-CB 3.73Å; F486-P488 HydrophobicContact CZ-CG 3.57Å; F486-N500 HydrophobicContact CZ-CB 4.14Å; F486-R501 HydrophobicContact CD1-CG 3.5Å; F486-R501 HydrophobicContact CD2-CG 4.37Å; F486-R501 HydrophobicContact CE1-CG 3.6Å; F486-R501 HydrophobicContact CE2-CG 4.46Å; F486-R501 HydrophobicContact CG-CG 3.9Å; F486-R501 HydrophobicContact CZ-CG 4.09Å; F486-F504 HydrophobicContact CB-CD1 4.23Å; F486-F504 HydrophobicContact CB-CE1 4.25Å; F486-F504 HydrophobicContact CD2-CB 3.8Å; F486-F504 AromaticContact CD2-CD1 3.51Å; F486-F504 HydrophobicContact CD2-CD1 3.51Å; F486-F504 HydrophobicContact CD2-CD2 4.19Å; F486-F504 HydrophobicContact CD2-CE1 4.02Å; F486-F504 AromaticContact CD2-CG 3.57Å; F486-F504 HydrophobicContact CD2-CG 3.57Å; F486-F504 HydrophobicContact CE2-CB 3.78Å; F486-F504 HydrophobicContact CE2-CD1 4.35Å; F486-F504 HydrophobicContact CE2-CD2 4.43Å; F486-F504 AromaticContact CE2-CG 3.96Å; F486-F504 HydrophobicContact CE2-CG 3.96Å; F486-F504 HydrophobicContact CG-CD1 4.34Å | ||
| 487 | H | 95 | Very high | 96.9 | Very high | 121 Ų | 121 | 48.2 Ų | 48.2 | 56% | 0.56 | 28% | 0.276 | S | S | * | . | trans | -78.3 | -34.1 | -179 | -67.2 | -73 | 0 | 0 | 0 | 116 | L485 L489 | L485-H487 VanDerWaalsContact CD2-CE1 3.45Å; L485-H487 WeakPolarHBondContact CD2-CE1 3.48Å; H487-L489 PolarHBondContact O-N 3.15Å | ||
| 488 | P | 96.4 | Very high | 96.8 | Very high | 71 Ų | 71 | 48.4 Ų | 48.4 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -56.9 | 140.2 | -176.5 | -26.9 | 34.7 | 0 | 0 | 0 | 113.1 | R467 F486 | R467-P488 PolarHBondContact NE-O 3.37Å; R467-P488 PolarHBondContact NH2-O 3.49Å; F486-P488 HydrophobicContact CD1-CB 4.36Å; F486-P488 HydrophobicContact CD1-CG 4.41Å; F486-P488 HydrophobicContact CD2-CG 4.36Å; F486-P488 HydrophobicContact CE1-CB 3.65Å; F486-P488 HydrophobicContact CE1-CG 3.88Å; F486-P488 HydrophobicContact CE2-CB 4.47Å; F486-P488 HydrophobicContact CE2-CG 3.83Å; F486-P488 HydrophobicContact CZ-CB 3.73Å; F486-P488 HydrophobicContact CZ-CG 3.57Å |
| 489 | L | 95.2 | Very high | 96.8 | Very high | 151 Ų | 151 | 51 Ų | 51 | 79% | 0.791 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 157.9 | 177.7 | -66.3 | 178.1 | 0 | 0 | 0 | 111.6 | R467 H487 A491 | R467-L489 PolarHBondContact NH2-O 3.39Å; R467-L489 VanDerWaalsContact NH2-O 3.15Å; H487-L489 PolarHBondContact O-N 3.15Å; L489-A491 PolarHBondContact O-N 2.79Å |
| 490 | P | 95 | Very high | 96.8 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 128.5 | 176.2 | -26.2 | 35.8 | 0 | 0 | 0 | 112.2 | D497 | P490-D497 VanDerWaalsContact CA-OD1 3.3Å; P490-D497 WeakPolarHBondContact CA-OD1 3.44Å |
| 491 | A | 95.4 | Very high | 96.8 | Very high | 26 Ų | 26 | 55.1 Ų | 55.1 | 22% | 0.215 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 149.8 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | L489 V493 D496 D497 | L489-A491 PolarHBondContact O-N 2.79Å; A491-V493 PolarHBondContact O-N 3.24Å; A491-D496 HydrophobicContact CB-CB 4.38Å; A491-D497 HydrophobicContact CB-CB 3.85Å; A491-D497 PolarHBondContact N-OD1 2.71Å |
| 492 | P | 95 | Very high | 96.8 | Very high | 142 Ų | 142 | 55.1 Ų | 55.1 | 92% | 0.922 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -60.6 | -32.9 | -180 | -23.8 | 33.7 | 0 | 0 | 0 | 113.4 | ||
| 493 | V | 96.3 | Very high | 96.7 | Very high | 76 Ų | 76 | 57.1 Ų | 57.1 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -97.5 | 123.1 | 176.9 | 180 | 0 | 0 | 0 | 0 | 108.7 | A491 A495 D496 D497 | A491-V493 PolarHBondContact O-N 3.24Å; V493-A495 VanDerWaalsContact C-N 3.33Å; V493-A495 HydrophobicContact CG1-CB 4.3Å; V493-A495 PolarHBondContact O-N 3.07Å; V493-D496 HydrophobicContact CB-CB 4.17Å; V493-D496 WeakPolarHBondContact CB-OD2 3.3Å; V493-D496 HydrophobicContact CG1-CB 4.48Å; V493-D496 PolarHBondContact O-N 2.96Å; V493-D497 PolarHBondContact O-N 2.89Å |
| 494 | W | 94.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 29% | 0.292 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -40.7 | -177 | 172.2 | -118 | 0 | 0 | 0 | 113.3 | D497 V498 R501 W527 I528 P529 | W494-D497 HydrophobicContact CE3-CB 4.45Å; W494-D497 WeakPolarHBondContact O-CB 3.4Å; W494-D497 PolarHBondContact O-N 3.46Å; W494-V498 HydrophobicContact CD2-CG2 3.86Å; W494-V498 VanDerWaalsContact CE2-CG2 3.47Å; W494-V498 HydrophobicContact CE3-CG2 4.24Å; W494-V498 HydrophobicContact CG-CG2 4.48Å; W494-V498 HydrophobicContact CH2-CG2 4.01Å; W494-V498 HydrophobicContact CZ2-CG2 3.56Å; W494-V498 HydrophobicContact CZ3-CG2 4.32Å; W494-V498 WeakPolarHBondContact O-CG2 3.42Å; W494-V498 PolarHBondContact O-N 3.28Å; W494-R501 VanDerWaalsContact CH2-NH2 3.25Å; W494-W527 PolarHBondContact NE1-O 3.42Å; W494-I528 WeakPolarHBondContact CZ2-O 3.34Å; W494-P529 HydrophobicContact CB-CG 4.38Å; W494-P529 HydrophobicContact CD2-CB 4.39Å; W494-P529 HydrophobicContact CD2-CG 3.66Å; W494-P529 HydrophobicContact CE3-CB 4Å; W494-P529 HydrophobicContact CE3-CG 3.64Å; W494-P529 HydrophobicContact CG-CG 4Å; W494-P529 HydrophobicContact CH2-CB 4.32Å; W494-P529 HydrophobicContact CZ3-CB 3.95Å; W494-P529 HydrophobicContact CZ3-CG 4.11Å |
| 495 | A | 95.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 57.5 Ų | 57.5 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V493 D497 V498 D499 | V493-A495 VanDerWaalsContact C-N 3.33Å; V493-A495 HydrophobicContact CG1-CB 4.3Å; V493-A495 PolarHBondContact O-N 3.07Å; A495-D497 VanDerWaalsContact C-N 3.29Å; A495-D497 PolarHBondContact O-N 3.43Å; A495-V498 WeakPolarHBondContact O-CB 3.43Å; A495-V498 PolarHBondContact O-N 3.4Å; A495-V498 VanDerWaalsContact O-N 3.13Å; A495-D499 PolarHBondContact O-N 2.89Å |
| 496 | D | 96.8 | Very high | 96.8 | Very high | 85 Ų | 85 | 57.8 Ų | 57.8 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -40.4 | 175.9 | -56.5 | -7.2 | 0 | 0 | 0 | 111.4 | A491 V493 V498 D499 N500 | A491-D496 HydrophobicContact CB-CB 4.38Å; V493-D496 HydrophobicContact CB-CB 4.17Å; V493-D496 WeakPolarHBondContact CB-OD2 3.3Å; V493-D496 HydrophobicContact CG1-CB 4.48Å; V493-D496 PolarHBondContact O-N 2.96Å; D496-V498 VanDerWaalsContact C-N 3.34Å; D496-V498 PolarHBondContact O-N 2.66Å; D496-D499 PolarHBondContact O-N 2.83Å; D496-N500 WeakPolarHBondContact O-CB 3.45Å; D496-N500 PolarHBondContact O-N 3.27Å; D496-N500 PolarHBondContact O-ND2 2.93Å; D496-N500 VanDerWaalsContact O-ND2 3.14Å |
| 497 | D | 97.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 62.2 Ų | 62.2 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 176.6 | -169.3 | 67.2 | 0 | 0 | 0 | 113.3 | R467 P490 A491 V493 W494 A495 R501 | R467-D497 IonicContact CZ-OD1 3.39Å; R467-D497 IonicContact CZ-OD2 3.76Å; R467-D497 IonicContact NH1-OD1 3.27Å; R467-D497 PolarHBondContact NH1-OD1 3.26Å; R467-D497 IonicContact NH1-OD2 2.86Å; R467-D497 PolarHBondContact NH1-OD2 3.22Å; R467-D497 IonicContact NH2-OD1 2.67Å; R467-D497 PolarHBondContact NH2-OD1 3.33Å; R467-D497 IonicContact NH2-OD2 3.74Å; P490-D497 VanDerWaalsContact CA-OD1 3.3Å; P490-D497 WeakPolarHBondContact CA-OD1 3.44Å; A491-D497 HydrophobicContact CB-CB 3.85Å; A491-D497 PolarHBondContact N-OD1 2.71Å; V493-D497 PolarHBondContact O-N 2.89Å; W494-D497 HydrophobicContact CE3-CB 4.45Å; W494-D497 WeakPolarHBondContact O-CB 3.4Å; W494-D497 PolarHBondContact O-N 3.46Å; A495-D497 VanDerWaalsContact C-N 3.29Å; A495-D497 PolarHBondContact O-N 3.43Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 PolarHBondContact O-NE 2.99Å; D497-R501 IonicContact OD2-CZ 3.86Å; D497-R501 IonicContact OD2-NE 2.62Å; D497-R501 PolarHBondContact OD2-NE 2.79Å; D497-R501 IonicContact OD2-NH2 3.58Å; D497-R501 PolarHBondContact OD2-NH2 3.28Å |
| 498 | V | 97.5 | Very high | 96.9 | Very high | 10 Ų | 10 | 56.6 Ų | 56.6 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.7 | -49.4 | 174.8 | 165.7 | 0 | 0 | 0 | 0 | 109.6 | L443 W494 A495 D496 N500 R501 V502 T525 | L443-V498 HydrophobicContact CD1-CB 4.29Å; L443-V498 HydrophobicContact CD1-CG1 3.89Å; L443-V498 HydrophobicContact CD1-CG2 4.29Å; W494-V498 HydrophobicContact CD2-CG2 3.86Å; W494-V498 VanDerWaalsContact CE2-CG2 3.47Å; W494-V498 HydrophobicContact CE3-CG2 4.24Å; W494-V498 HydrophobicContact CG-CG2 4.48Å; W494-V498 HydrophobicContact CH2-CG2 4.01Å; W494-V498 HydrophobicContact CZ2-CG2 3.56Å; W494-V498 HydrophobicContact CZ3-CG2 4.32Å; W494-V498 WeakPolarHBondContact O-CG2 3.42Å; W494-V498 PolarHBondContact O-N 3.28Å; A495-V498 WeakPolarHBondContact O-CB 3.43Å; A495-V498 PolarHBondContact O-N 3.4Å; A495-V498 VanDerWaalsContact O-N 3.13Å; D496-V498 VanDerWaalsContact C-N 3.34Å; D496-V498 PolarHBondContact O-N 2.66Å; V498-N500 PolarHBondContact O-N 2.8Å; V498-R501 PolarHBondContact O-N 3.21Å; V498-V502 HydrophobicContact CG1-CG2 4.33Å; V498-V502 WeakPolarHBondContact O-CG2 3.29Å; V498-V502 PolarHBondContact O-N 2.65Å; V498-T525 HydrophobicContact CG1-CG2 3.89Å |
| 499 | D | 97.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | -177.2 | -71.9 | -18 | 0 | 0 | 0 | 111.8 | A495 D496 R501 V502 N503 | A495-D499 PolarHBondContact O-N 2.89Å; D496-D499 PolarHBondContact O-N 2.83Å; D499-R501 VanDerWaalsContact C-N 3.29Å; D499-R501 PolarHBondContact O-N 2.92Å; D499-V502 PolarHBondContact O-N 2.87Å; D499-N503 WeakPolarHBondContact O-CB 3.39Å; D499-N503 PolarHBondContact O-N 3.34Å; D499-N503 PolarHBondContact O-ND2 3.4Å |
| 500 | N | 98.1 | Very high | 97 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 173.7 | -73.2 | -25 | 0 | 0 | 0 | 112.4 | F486 D496 V498 F504 | F486-N500 HydrophobicContact CZ-CB 4.14Å; D496-N500 WeakPolarHBondContact O-CB 3.45Å; D496-N500 PolarHBondContact O-N 3.27Å; D496-N500 PolarHBondContact O-ND2 2.93Å; D496-N500 VanDerWaalsContact O-ND2 3.14Å; V498-N500 PolarHBondContact O-N 2.8Å; N500-F504 WeakPolarHBondContact O-CB 3.26Å; N500-F504 PolarHBondContact O-N 2.85Å |
| 501 | R | 98.3 | Very high | 97 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.9 | -36.6 | 178.7 | -74 | 179.4 | -74.8 | 150 | -4.5 | 112.7 | L443 V465 F486 W494 D497 V498 D499 F504 G505 | L443-R501 HydrophobicContact CD1-CB 4.11Å; L443-R501 HydrophobicContact CD2-CB 3.55Å; L443-R501 HydrophobicContact CG-CB 4.49Å; V465-R501 HydrophobicContact CG1-CB 3.97Å; V465-R501 HydrophobicContact CG1-CG 4.2Å; F486-R501 HydrophobicContact CD1-CG 3.5Å; F486-R501 HydrophobicContact CD2-CG 4.37Å; F486-R501 HydrophobicContact CE1-CG 3.6Å; F486-R501 HydrophobicContact CE2-CG 4.46Å; F486-R501 HydrophobicContact CG-CG 3.9Å; F486-R501 HydrophobicContact CZ-CG 4.09Å; W494-R501 VanDerWaalsContact CH2-NH2 3.25Å; D497-R501 WeakPolarHBondContact O-CG 3.41Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 PolarHBondContact O-NE 2.99Å; D497-R501 IonicContact OD2-CZ 3.86Å; D497-R501 IonicContact OD2-NE 2.62Å; D497-R501 PolarHBondContact OD2-NE 2.79Å; D497-R501 IonicContact OD2-NH2 3.58Å; D497-R501 PolarHBondContact OD2-NH2 3.28Å; V498-R501 PolarHBondContact O-N 3.21Å; D499-R501 VanDerWaalsContact C-N 3.29Å; D499-R501 PolarHBondContact O-N 2.92Å; R501-F504 PolarHBondContact O-N 3.44Å; R501-G505 PolarHBondContact O-N 2.99Å; R501-G505 VanDerWaalsContact O-N 3.07Å |
| 502 | V | 98.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.055 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -47 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 109.9 | L443 V498 D499 F504 G505 M506 V523 T525 | L443-V502 HydrophobicContact CD1-CG2 4.18Å; L443-V502 HydrophobicContact CD2-CG2 4.4Å; L443-V502 HydrophobicContact CG-CG2 4.43Å; V498-V502 HydrophobicContact CG1-CG2 4.33Å; V498-V502 WeakPolarHBondContact O-CG2 3.29Å; V498-V502 PolarHBondContact O-N 2.65Å; D499-V502 PolarHBondContact O-N 2.87Å; V502-F504 VanDerWaalsContact C-N 3.32Å; V502-F504 PolarHBondContact O-N 3.1Å; V502-G505 CarbonylContact O-C 3.58Å; V502-G505 WeakPolarHBondContact O-CA 3.11Å; V502-G505 PolarHBondContact O-N 3.22Å; V502-M506 HydrophobicContact CG1-CE 4.13Å; V502-M506 WeakPolarHBondContact O-CG 3.33Å; V502-M506 PolarHBondContact O-N 3.06Å; V502-V523 HydrophobicContact CG1-CG1 4.02Å; V502-V523 HydrophobicContact CG1-CG2 4.08Å; V502-V523 HydrophobicContact CG2-CG1 3.7Å; V502-T525 HydrophobicContact CG2-CG2 4.18Å |
| 503 | N | 98.3 | Very high | 96.8 | Very high | 89 Ų | 89 | 42 Ų | 42 | 48% | 0.476 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.2 | -42.9 | 177.1 | -71.2 | -21.9 | 0 | 0 | 0 | 111.5 | D499 G505 M506 E507 | D499-N503 WeakPolarHBondContact O-CB 3.39Å; D499-N503 PolarHBondContact O-N 3.34Å; D499-N503 PolarHBondContact O-ND2 3.4Å; N503-G505 VanDerWaalsContact C-N 3.3Å; N503-G505 PolarHBondContact O-N 3.25Å; N503-M506 WeakPolarHBondContact O-CA 3.48Å; N503-M506 WeakPolarHBondContact O-CB 3.23Å; N503-M506 PolarHBondContact O-N 2.91Å; N503-E507 WeakPolarHBondContact O-CG 3.5Å; N503-E507 PolarHBondContact O-N 3.35Å |
| 504 | F | 98.5 | Very high | 96.7 | Very high | 16 Ų | 16 | 39.1 Ų | 39.1 | 7% | 0.07 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.9 | -40.7 | 172.8 | -179.1 | -114.1 | 0 | 0 | 0 | 112.8 | P113 L114 V465 A484 F486 N500 R501 V502 M506 E507 I508 | P113-F504 HydrophobicContact CB-CE2 4.29Å; P113-F504 HydrophobicContact CB-CZ 4.44Å; L114-F504 HydrophobicContact CD2-CD2 4.07Å; L114-F504 HydrophobicContact CD2-CE2 3.83Å; V465-F504 HydrophobicContact CG1-CD1 4.05Å; A484-F504 HydrophobicContact CB-CD1 4.49Å; A484-F504 HydrophobicContact CB-CE1 4.05Å; F486-F504 HydrophobicContact CB-CD1 4.23Å; F486-F504 HydrophobicContact CB-CE1 4.25Å; F486-F504 HydrophobicContact CD2-CB 3.8Å; F486-F504 AromaticContact CD2-CD1 3.51Å; F486-F504 HydrophobicContact CD2-CD1 3.51Å; F486-F504 HydrophobicContact CD2-CD2 4.19Å; F486-F504 HydrophobicContact CD2-CE1 4.02Å; F486-F504 AromaticContact CD2-CG 3.57Å; F486-F504 HydrophobicContact CD2-CG 3.57Å; F486-F504 HydrophobicContact CE2-CB 3.78Å; F486-F504 HydrophobicContact CE2-CD1 4.35Å; F486-F504 HydrophobicContact CE2-CD2 4.43Å; F486-F504 AromaticContact CE2-CG 3.96Å; F486-F504 HydrophobicContact CE2-CG 3.96Å; F486-F504 HydrophobicContact CG-CD1 4.34Å; N500-F504 WeakPolarHBondContact O-CB 3.26Å; N500-F504 PolarHBondContact O-N 2.85Å; R501-F504 PolarHBondContact O-N 3.44Å; V502-F504 VanDerWaalsContact C-N 3.32Å; V502-F504 PolarHBondContact O-N 3.1Å; F504-M506 VanDerWaalsContact C-N 3.35Å; F504-E507 PolarHBondContact O-N 3.43Å; F504-I508 HydrophobicContact CD1-CD1 3.89Å; F504-I508 HydrophobicContact CE1-CD1 3.43Å; F504-I508 VanDerWaalsContact CE1-CD1 3.43Å; F504-I508 HydrophobicContact CE1-CG1 4.48Å; F504-I508 HydrophobicContact CE2-CD1 4.09Å; F504-I508 HydrophobicContact CE2-CG1 4.39Å; F504-I508 HydrophobicContact CG-CD1 4.44Å; F504-I508 HydrophobicContact CZ-CD1 3.54Å; F504-I508 HydrophobicContact CZ-CG1 4.31Å; F504-I508 WeakPolarHBondContact O-CG1 3.43Å; F504-I508 PolarHBondContact O-N 2.99Å |
| 505 | G | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I463 R501 V502 N503 G509 | I463-G505 WeakPolarHBondContact CD1-O 3.34Å; R501-G505 PolarHBondContact O-N 2.99Å; R501-G505 VanDerWaalsContact O-N 3.07Å; V502-G505 CarbonylContact O-C 3.58Å; V502-G505 WeakPolarHBondContact O-CA 3.11Å; V502-G505 PolarHBondContact O-N 3.22Å; N503-G505 VanDerWaalsContact C-N 3.3Å; N503-G505 PolarHBondContact O-N 3.25Å; G505-G509 PolarHBondContact O-N 3.49Å |
| 506 | M | 98.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 38 Ų | 38 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -47.4 | 174.4 | -63 | -65.1 | -172.5 | 0 | 0 | 111.5 | I441 V502 N503 F504 I508 G509 K510 F515 V521 V523 V540 A542 | I441-M506 HydrophobicContact CD1-CE 3.8Å; I441-M506 HydrophobicContact CD1-CG 3.92Å; I441-M506 HydrophobicContact CD1-SD 3.31Å; I441-M506 WeakPolarHBondContact CD1-SD 3.23Å; V502-M506 HydrophobicContact CG1-CE 4.13Å; V502-M506 WeakPolarHBondContact O-CG 3.33Å; V502-M506 PolarHBondContact O-N 3.06Å; N503-M506 WeakPolarHBondContact O-CA 3.48Å; N503-M506 WeakPolarHBondContact O-CB 3.23Å; N503-M506 PolarHBondContact O-N 2.91Å; F504-M506 VanDerWaalsContact C-N 3.35Å; M506-I508 PolarHBondContact O-N 2.88Å; M506-G509 PolarHBondContact O-N 3.27Å; M506-K510 WeakPolarHBondContact O-CG 3.49Å; M506-K510 PolarHBondContact O-N 2.87Å; M506-F515 HydrophobicContact SD-CE2 4.31Å; M506-F515 HydrophobicContact SD-CZ 4.3Å; M506-V521 HydrophobicContact CE-CG2 3.42Å; M506-V521 VanDerWaalsContact CE-CG2 3.42Å; M506-V521 HydrophobicContact SD-CG2 3.77Å; M506-V523 HydrophobicContact CE-CG2 3.88Å; M506-V540 HydrophobicContact CE-CG2 3.68Å; M506-A542 HydrophobicContact SD-CB 4.33Å |
| 507 | E | 98.2 | Very high | 96.4 | Very high | 108 Ų | 108 | 38 Ų | 38 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.1 | -43.9 | 179.6 | -71.8 | 175.6 | 149.8 | 0 | 0 | 111.5 | L114 N503 F504 K510 A511 | L114-E507 HydrophobicContact CD1-CB 4.45Å; L114-E507 HydrophobicContact CD2-CB 3.82Å; N503-E507 WeakPolarHBondContact O-CG 3.5Å; N503-E507 PolarHBondContact O-N 3.35Å; F504-E507 PolarHBondContact O-N 3.43Å; E507-K510 PolarHBondContact O-N 3.06Å; E507-A511 VanDerWaalsContact O-CB 3.23Å; E507-A511 WeakPolarHBondContact O-CB 3.3Å; E507-A511 PolarHBondContact O-N 2.72Å |
| 508 | I | 97.5 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.2 | -50.4 | 173.9 | -75.9 | 175 | 0 | 0 | 0 | 110.8 | L114 I463 F482 A484 F504 M506 K510 A511 R512 | L114-I508 HydrophobicContact CD2-CG1 3.77Å; I463-I508 HydrophobicContact CG2-CG2 4.47Å; F482-I508 HydrophobicContact CD1-CG2 4.15Å; F482-I508 HydrophobicContact CE1-CG2 3.67Å; A484-I508 HydrophobicContact CB-CD1 3.38Å; F504-I508 HydrophobicContact CD1-CD1 3.89Å; F504-I508 HydrophobicContact CE1-CD1 3.43Å; F504-I508 VanDerWaalsContact CE1-CD1 3.43Å; F504-I508 HydrophobicContact CE1-CG1 4.48Å; F504-I508 HydrophobicContact CE2-CD1 4.09Å; F504-I508 HydrophobicContact CE2-CG1 4.39Å; F504-I508 HydrophobicContact CG-CD1 4.44Å; F504-I508 HydrophobicContact CZ-CD1 3.54Å; F504-I508 HydrophobicContact CZ-CG1 4.31Å; F504-I508 WeakPolarHBondContact O-CG1 3.43Å; F504-I508 PolarHBondContact O-N 2.99Å; M506-I508 PolarHBondContact O-N 2.88Å; I508-K510 VanDerWaalsContact C-N 3.29Å; I508-K510 PolarHBondContact O-N 2.98Å; I508-A511 PolarHBondContact O-N 3.29Å; I508-R512 HydrophobicContact CG2-CG 4.13Å; I508-R512 WeakPolarHBondContact O-CB 3.49Å; I508-R512 VanDerWaalsContact O-CG 3.23Å; I508-R512 WeakPolarHBondContact O-CG 3.44Å; I508-R512 PolarHBondContact O-N 3.04Å |
| 509 | G | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -39.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G505 M506 G513 F514 | G505-G509 PolarHBondContact O-N 3.49Å; M506-G509 PolarHBondContact O-N 3.27Å; G509-G513 PolarHBondContact O-N 3.42Å; G509-F514 PolarHBondContact O-N 3.19Å |
| 510 | K | 96.5 | Very high | 95.7 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 34% | 0.335 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.6 | -48.8 | 174.1 | -68.1 | 178.4 | -171.6 | -171.6 | 0 | 112.1 | M506 E507 I508 R512 G513 F515 S517 A542 | M506-K510 WeakPolarHBondContact O-CG 3.49Å; M506-K510 PolarHBondContact O-N 2.87Å; E507-K510 PolarHBondContact O-N 3.06Å; I508-K510 VanDerWaalsContact C-N 3.29Å; I508-K510 PolarHBondContact O-N 2.98Å; K510-R512 VanDerWaalsContact C-N 3.28Å; K510-R512 PolarHBondContact O-N 3.25Å; K510-G513 PolarHBondContact O-N 2.94Å; K510-G513 VanDerWaalsContact O-N 3.1Å; K510-F515 HydrophobicContact CG-CD2 4.14Å; K510-F515 HydrophobicContact CG-CE2 3.93Å; K510-S517 PolarHBondContact NZ-OG 3.07Å; K510-S517 VanDerWaalsContact NZ-OG 3.09Å; K510-A542 WeakPolarHBondContact CE-OXT 3.34Å; K510-A542 PolarHBondContact NZ-OXT 2.88Å |
| 511 | A | 95.6 | Very high | 95.7 | Very high | 32 Ų | 32 | 37 Ų | 37 | 26% | 0.264 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63 | -33.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L114 Y115 E507 I508 G513 | L114-A511 HydrophobicContact CB-CB 4.21Å; L114-A511 HydrophobicContact CD1-CB 4.18Å; Y115-A511 HydrophobicContact CE2-CB 4.42Å; Y115-A511 PolarHBondContact OH-O 2.82Å; E507-A511 VanDerWaalsContact O-CB 3.23Å; E507-A511 WeakPolarHBondContact O-CB 3.3Å; E507-A511 PolarHBondContact O-N 2.72Å; I508-A511 PolarHBondContact O-N 3.29Å; A511-G513 VanDerWaalsContact C-N 3.35Å |
| 512 | R | 92.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 36.2 Ų | 36.2 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -4.7 | 177.4 | -62 | -62.5 | -166.5 | 164 | 14 | 113.9 | T52 L114 Y115 Y116 F482 I508 K510 F514 | T52-R512 WeakPolarHBondContact CG2-O 3.47Å; L114-R512 PolarHBondContact O-NE 3.01Å; L114-R512 PolarHBondContact O-NH2 3.44Å; Y115-R512 VanDerWaalsContact CA-CZ 3.48Å; Y115-R512 PolarHBondContact O-NH2 2.74Å; Y116-R512 PolarHBondContact O-NH2 3.09Å; F482-R512 HydrophobicContact CZ-CG 4.39Å; I508-R512 HydrophobicContact CG2-CG 4.13Å; I508-R512 WeakPolarHBondContact O-CB 3.49Å; I508-R512 VanDerWaalsContact O-CG 3.23Å; I508-R512 WeakPolarHBondContact O-CG 3.44Å; I508-R512 PolarHBondContact O-N 3.04Å; K510-R512 VanDerWaalsContact C-N 3.28Å; K510-R512 PolarHBondContact O-N 3.25Å; R512-F514 VanDerWaalsContact C-N 3.33Å; R512-F514 HydrophobicContact CB-CD1 3.9Å; R512-F514 HydrophobicContact CB-CD2 4.19Å; R512-F514 HydrophobicContact CB-CE1 3.66Å; R512-F514 HydrophobicContact CB-CE2 3.97Å; R512-F514 HydrophobicContact CB-CG 4.16Å; R512-F514 HydrophobicContact CB-CZ 3.7Å; R512-F514 HydrophobicContact CG-CE2 4.35Å; R512-F514 HydrophobicContact CG-CZ 4.18Å |
| 513 | G | 93.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 33% | 0.33 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 31.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T52 G509 K510 A511 | T52-G513 PolarHBondContact OG1-O 2.88Å; G509-G513 PolarHBondContact O-N 3.42Å; K510-G513 PolarHBondContact O-N 2.94Å; K510-G513 VanDerWaalsContact O-N 3.1Å; A511-G513 VanDerWaalsContact C-N 3.35Å |
| 514 | F | 93.6 | Very high | 95.8 | Very high | 15 Ų | 15 | 31.8 Ų | 31.8 | 7% | 0.066 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -76.1 | -36.3 | 172.9 | -61.6 | -16.2 | 0 | 0 | 0 | 111.2 | Q25 A53 P461 I463 F482 G509 R512 | Q25-F514 PolarHBondContact NE2-O 3.23Å; A53-F514 HydrophobicContact CB-CD1 3.75Å; A53-F514 HydrophobicContact CB-CE1 3.71Å; A53-F514 HydrophobicContact CB-CG 4.41Å; A53-F514 HydrophobicContact CB-CZ 4.34Å; P461-F514 HydrophobicContact CG-CB 4.25Å; P461-F514 HydrophobicContact CG-CD2 4.11Å; P461-F514 HydrophobicContact CG-CG 4.16Å; I463-F514 HydrophobicContact CD1-CD2 4.09Å; I463-F514 HydrophobicContact CG1-CD2 4.36Å; F482-F514 HydrophobicContact CB-CE2 4.36Å; F482-F514 HydrophobicContact CD1-CE2 4.12Å; F482-F514 HydrophobicContact CD2-CE2 4.01Å; F482-F514 AromaticContact CD2-CZ 3.79Å; F482-F514 HydrophobicContact CD2-CZ 3.79Å; F482-F514 HydrophobicContact CE1-CE2 4.46Å; F482-F514 HydrophobicContact CE2-CE2 4.35Å; F482-F514 AromaticContact CE2-CZ 3.94Å; F482-F514 HydrophobicContact CE2-CZ 3.94Å; F482-F514 AromaticContact CG-CE2 3.89Å; F482-F514 HydrophobicContact CG-CE2 3.89Å; F482-F514 HydrophobicContact CG-CZ 4.16Å; F482-F514 HydrophobicContact CZ-CZ 4.43Å; G509-F514 PolarHBondContact O-N 3.19Å; R512-F514 VanDerWaalsContact C-N 3.33Å; R512-F514 HydrophobicContact CB-CD1 3.9Å; R512-F514 HydrophobicContact CB-CD2 4.19Å; R512-F514 HydrophobicContact CB-CE1 3.66Å; R512-F514 HydrophobicContact CB-CE2 3.97Å; R512-F514 HydrophobicContact CB-CG 4.16Å; R512-F514 HydrophobicContact CB-CZ 3.7Å; R512-F514 HydrophobicContact CG-CE2 4.35Å; R512-F514 HydrophobicContact CG-CZ 4.18Å |
| 515 | F | 93.9 | Very high | 95.7 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | trans | -153 | 164.7 | 175.6 | 51.3 | -99.3 | 0 | 0 | 0 | 110.9 | A439 I441 I463 M506 K510 D519 V521 A542 | A439-F515 HydrophobicContact CB-CD1 3.67Å; A439-F515 HydrophobicContact CB-CE1 3.45Å; A439-F515 VanDerWaalsContact CB-CE1 3.45Å; I441-F515 HydrophobicContact CD1-CZ 4.43Å; I463-F515 HydrophobicContact CD1-CE1 3.87Å; I463-F515 HydrophobicContact CD1-CZ 4.34Å; M506-F515 HydrophobicContact SD-CE2 4.31Å; M506-F515 HydrophobicContact SD-CZ 4.3Å; K510-F515 HydrophobicContact CG-CD2 4.14Å; K510-F515 HydrophobicContact CG-CE2 3.93Å; F515-D519 HydrophobicContact CB-CB 4.12Å; F515-V521 HydrophobicContact CD1-CG1 3.99Å; F515-V521 HydrophobicContact CD2-CG1 4.21Å; F515-V521 HydrophobicContact CE1-CG1 4.02Å; F515-V521 HydrophobicContact CE2-CG1 4.25Å; F515-V521 HydrophobicContact CG-CG1 4.08Å; F515-V521 HydrophobicContact CZ-CG1 4.14Å; F515-A542 HydrophobicContact CD2-CB 3.59Å; F515-A542 HydrophobicContact CE2-CB 3.7Å | ||
| 516 | K | 92.5 | Very high | 95.5 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 45% | 0.448 | 19% | 0.187 | S | C | . | . | trans | -107.3 | 166.4 | 175.1 | -71.9 | 175.1 | 174.1 | 158.6 | 0 | 110.9 | I24 G518 D519 | I24-K516 HydrophobicContact CD1-CD 3.62Å; I24-K516 HydrophobicContact CD1-CG 3.97Å; I24-K516 HydrophobicContact CG1-CD 4.38Å; I24-K516 VanDerWaalsContact CG1-NZ 3.33Å; K516-G518 PolarHBondContact O-N 3.49Å; K516-D519 PolarHBondContact N-OD2 2.9Å; K516-D519 WeakPolarHBondContact O-CB 3.4Å; K516-D519 PolarHBondContact O-N 2.99Å | ||
| 517 | S | 93.1 | Very high | 95.1 | Very high | 85 Ų | 85 | 39.7 Ų | 39.7 | 59% | 0.594 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | 135.7 | 170.5 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | K510 A542 | K510-S517 PolarHBondContact NZ-OG 3.07Å; K510-S517 VanDerWaalsContact NZ-OG 3.09Å; S517-A542 CarbonylContact C-O 3.58Å; S517-A542 VanDerWaalsContact CA-O 3.29Å; S517-A542 WeakPolarHBondContact CA-O 3.45Å |
| 518 | G | 91.4 | Very high | 94.8 | Very high | 50 Ų | 50 | 38.2 Ų | 38.2 | 52% | 0.515 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -16.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K516 A542 | K516-G518 PolarHBondContact O-N 3.49Å; G518-A542 PolarHBondContact N-O 3.32Å |
| 519 | D | 91.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 41.8 Ų | 41.8 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | trans | -68.5 | 150.5 | 173.6 | -67.2 | -19.6 | 0 | 0 | 0 | 110.8 | S22 F515 K516 S541 A542 | S22-D519 VanDerWaalsContact CB-OD1 3.26Å; S22-D519 WeakPolarHBondContact CB-OD1 3.28Å; S22-D519 PolarHBondContact OG-OD1 3.3Å; F515-D519 HydrophobicContact CB-CB 4.12Å; K516-D519 PolarHBondContact N-OD2 2.9Å; K516-D519 WeakPolarHBondContact O-CB 3.4Å; K516-D519 PolarHBondContact O-N 2.99Å; D519-S541 CarbonylContact O-C 3.32Å; D519-S541 WeakPolarHBondContact O-CA 3.32Å; D519-A542 WeakPolarHBondContact O-CB 3.33Å; D519-A542 PolarHBondContact O-N 3.32Å | ||
| 520 | M | 95.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 44.1 Ų | 44.1 | 32% | 0.32 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.3 | 177 | -69.4 | -61.5 | -63.8 | 0 | 0 | 111.1 | C435 A437 G438 A539 | C435-M520 HydrophobicContact CB-CB 4.33Å; C435-M520 HydrophobicContact CB-CG 4.46Å; A437-M520 CarbonylContact C-O 3.37Å; A437-M520 VanDerWaalsContact CA-O 3.22Å; A437-M520 WeakPolarHBondContact CA-O 3.37Å; G438-M520 PolarHBondContact N-O 3.42Å; M520-A539 HydrophobicContact CE-CB 3.94Å |
| 521 | V | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 151.3 | 172.7 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | M506 F515 V540 A542 | M506-V521 HydrophobicContact CE-CG2 3.42Å; M506-V521 VanDerWaalsContact CE-CG2 3.42Å; M506-V521 HydrophobicContact SD-CG2 3.77Å; F515-V521 HydrophobicContact CD1-CG1 3.99Å; F515-V521 HydrophobicContact CD2-CG1 4.21Å; F515-V521 HydrophobicContact CE1-CG1 4.02Å; F515-V521 HydrophobicContact CE2-CG1 4.25Å; F515-V521 HydrophobicContact CG-CG1 4.08Å; F515-V521 HydrophobicContact CZ-CG1 4.14Å; V521-V540 HydrophobicContact CG2-CG2 3.63Å; V521-V540 PolarHBondContact N-O 2.62Å; V521-V540 PolarHBondContact O-N 3.11Å; V521-A542 HydrophobicContact CG1-CB 4.12Å; V521-A542 HydrophobicContact CG2-CB 4.37Å |
| 522 | I | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.6 | 175.8 | -53.4 | -57.2 | 0 | 0 | 0 | 108.7 | A428 A437 A439 I440 I441 V524 M537 R538 A539 | A428-I522 HydrophobicContact CB-CG2 3.94Å; A437-I522 HydrophobicContact CB-CG1 4.01Å; A439-I522 PolarHBondContact O-N 3.4Å; I440-I522 CarbonylContact C-O 3.55Å; I440-I522 VanDerWaalsContact CA-O 3.31Å; I440-I522 WeakPolarHBondContact CA-O 3.41Å; I440-I522 HydrophobicContact CG1-CB 4.26Å; I440-I522 HydrophobicContact CG2-CB 4.33Å; I440-I522 HydrophobicContact CG2-CG2 4.42Å; I441-I522 PolarHBondContact N-O 3.14Å; I522-V524 HydrophobicContact CG2-CG2 4.17Å; I522-M537 HydrophobicContact CG2-CG 3.84Å; I522-M537 HydrophobicContact CG2-SD 4.44Å; I522-R538 CarbonylContact C-O 3.55Å; I522-R538 WeakPolarHBondContact CA-O 3.33Å; I522-A539 HydrophobicContact CD1-CB 3.88Å |
| 523 | V | 98.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124 | 178.2 | 177.4 | 0 | 0 | 0 | 0 | 109.3 | I441 V502 M506 T525 M537 R538 V540 | I441-V523 HydrophobicContact CB-CG2 4.44Å; I441-V523 CarbonylContact O-C 3.55Å; I441-V523 WeakPolarHBondContact O-CA 3.36Å; V502-V523 HydrophobicContact CG1-CG1 4.02Å; V502-V523 HydrophobicContact CG1-CG2 4.08Å; V502-V523 HydrophobicContact CG2-CG1 3.7Å; M506-V523 HydrophobicContact CE-CG2 3.88Å; V523-T525 HydrophobicContact CG1-CG2 3.92Å; V523-M537 CarbonylContact O-C 3.58Å; V523-M537 WeakPolarHBondContact O-CA 3.3Å; V523-R538 HydrophobicContact CB-CB 4.4Å; V523-R538 PolarHBondContact N-O 3.35Å; V523-R538 PolarHBondContact O-N 3.17Å; V523-V540 HydrophobicContact CG2-CG2 3.83Å |
| 524 | V | 98.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 116.5 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | T424 A428 I440 I441 V442 L443 L453 I522 T534 I536 | T424-V524 HydrophobicContact CG2-CG1 4.16Å; A428-V524 HydrophobicContact CB-CG2 3.66Å; I440-V524 HydrophobicContact CG2-CG2 3.95Å; I441-V524 PolarHBondContact O-N 2.9Å; V442-V524 WeakPolarHBondContact CA-O 3.5Å; V442-V524 HydrophobicContact CB-CB 4.31Å; V442-V524 HydrophobicContact CG2-CB 4.14Å; V442-V524 HydrophobicContact CG2-CG1 4.16Å; L443-V524 PolarHBondContact N-O 3Å; L443-V524 VanDerWaalsContact N-O 3.16Å; L453-V524 HydrophobicContact CD1-CG2 4.43Å; L453-V524 HydrophobicContact CD2-CG2 4.49Å; I522-V524 HydrophobicContact CG2-CG2 4.17Å; V524-T534 HydrophobicContact CG1-CG2 3.36Å; V524-I536 WeakPolarHBondContact CA-O 3.34Å |
| 525 | T | 97.6 | Very high | 93 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 169.7 | -174.7 | 56.6 | 0 | 0 | 0 | 0 | 112.1 | L443 V498 V502 V523 N535 I536 | L443-T525 HydrophobicContact CD1-CG2 3.69Å; L443-T525 HydrophobicContact CG-CG2 3.88Å; V498-T525 HydrophobicContact CG1-CG2 3.89Å; V502-T525 HydrophobicContact CG2-CG2 4.18Å; V523-T525 HydrophobicContact CG1-CG2 3.92Å; T525-N535 PolarHBondContact O-N 3.09Å; T525-N535 VanDerWaalsContact O-N 3.13Å; T525-I536 PolarHBondContact N-O 3.37Å; T525-I536 PolarHBondContact O-N 3.09Å; T525-I536 WeakPolarHBondContact OG1-CB 3.43Å |
| 526 | G | 93.7 | Very high | 93.2 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 13% | 0.134 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 150.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H533 | G526-H533 WeakPolarHBondContact CA-O 3.43Å |
| 527 | W | 89.4 | Confident | 93.4 | Very high | 185 Ų | 185 | 49 Ų | 49 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -67 | -35.7 | 177.7 | 179 | -104.8 | 0 | 0 | 0 | 113.2 | W494 H533 N535 I536 | W494-W527 PolarHBondContact NE1-O 3.42Å; W527-H533 PolarHBondContact N-O 3.41Å; W527-N535 WeakPolarHBondContact CB-OD1 3.16Å; W527-N535 PolarHBondContact N-OD1 3.46Å; W527-N535 VanDerWaalsContact N-OD1 3.11Å; W527-I536 HydrophobicContact CB-CD1 4.25Å; W527-I536 HydrophobicContact CE3-CD1 3.92Å |
| 528 | I | 91.3 | Very high | 93.6 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 40% | 0.395 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -126.7 | 160.1 | 179.7 | 55.4 | 171.8 | 0 | 0 | 0 | 112.3 | W494 H533 | W494-I528 WeakPolarHBondContact CZ2-O 3.34Å; I528-H533 VanDerWaalsContact CD1-CD2 3.45Å; I528-H533 WeakPolarHBondContact CD1-CD2 3.28Å; I528-H533 HydrophobicContact CG1-CB 3.85Å; I528-H533 VanDerWaalsContact CG1-CD2 3.43Å; I528-H533 WeakPolarHBondContact CG1-CD2 3.5Å |
| 529 | P | 88.9 | Confident | 93.9 | Very high | 78 Ų | 78 | 49.8 Ų | 49.8 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -57.5 | 149.1 | 170.4 | -19.4 | 28.9 | 0 | 0 | 0 | 112.6 | W494 | W494-P529 HydrophobicContact CB-CG 4.38Å; W494-P529 HydrophobicContact CD2-CB 4.39Å; W494-P529 HydrophobicContact CD2-CG 3.66Å; W494-P529 HydrophobicContact CE3-CB 4Å; W494-P529 HydrophobicContact CE3-CG 3.64Å; W494-P529 HydrophobicContact CG-CG 4Å; W494-P529 HydrophobicContact CH2-CB 4.32Å; W494-P529 HydrophobicContact CZ3-CB 3.95Å; W494-P529 HydrophobicContact CZ3-CG 4.11Å |
| 530 | G | 85.5 | Confident | 94.1 | Very high | 50 Ų | 50 | 51 Ų | 51 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 111.7 | -177.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 531 | S | 86.9 | Confident | 94 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -96.6 | 143.3 | -179.4 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | S446 | S446-S531 PolarHBondContact OG-OG 2.97Š|
| 532 | G | 86.3 | Confident | 93.4 | Very high | 37 Ų | 37 | 53 Ų | 53 | 38% | 0.381 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 92.1 | 10.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 533 | H | 91 | Very high | 93.2 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | trans | -117 | 21.9 | -176.1 | -52.8 | -38.5 | 0 | 0 | 0 | 113.2 | G526 W527 I528 N535 | G526-H533 WeakPolarHBondContact CA-O 3.43Å; W527-H533 PolarHBondContact N-O 3.41Å; I528-H533 VanDerWaalsContact CD1-CD2 3.45Å; I528-H533 WeakPolarHBondContact CD1-CD2 3.28Å; I528-H533 HydrophobicContact CG1-CB 3.85Å; I528-H533 VanDerWaalsContact CG1-CD2 3.43Å; I528-H533 WeakPolarHBondContact CG1-CD2 3.5Å; H533-N535 PolarHBondContact O-N 3.46Å; H533-N535 PolarHBondContact O-OD1 3.31Å; H533-N535 VanDerWaalsContact O-OD1 3.08Å | ||
| 534 | T | 94.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 111 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | T421 S449 V524 | T421-T534 VanDerWaalsContact CA-O 3.23Å; T421-T534 WeakPolarHBondContact CA-O 3.48Å; T421-T534 WeakPolarHBondContact CG2-O 3.34Å; S449-T534 PolarHBondContact OG-OG1 3.29Å; V524-T534 HydrophobicContact CG1-CG2 3.36Å |
| 535 | N | 96.1 | Very high | 92.6 | Very high | 77 Ų | 77 | 61.6 Ų | 61.6 | 41% | 0.412 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 11 | -174.9 | 65.8 | -15.6 | 0 | 0 | 0 | 113.9 | P420 T424 T525 W527 H533 | P420-N535 HydrophobicContact CB-CB 4.34Å; T424-N535 WeakPolarHBondContact OG1-CA 3.47Å; T525-N535 PolarHBondContact O-N 3.09Å; T525-N535 VanDerWaalsContact O-N 3.13Å; W527-N535 WeakPolarHBondContact CB-OD1 3.16Å; W527-N535 PolarHBondContact N-OD1 3.46Å; W527-N535 VanDerWaalsContact N-OD1 3.11Å; H533-N535 PolarHBondContact O-N 3.46Å; H533-N535 PolarHBondContact O-OD1 3.31Å; H533-N535 VanDerWaalsContact O-OD1 3.08Å |
| 536 | I | 97.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 65.1 Ų | 65.1 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.8 | 176.9 | -58.8 | 174.9 | 0 | 0 | 0 | 108.2 | V524 T525 W527 R538 | V524-I536 WeakPolarHBondContact CA-O 3.34Å; T525-I536 PolarHBondContact N-O 3.37Å; T525-I536 PolarHBondContact O-N 3.09Å; T525-I536 WeakPolarHBondContact OG1-CB 3.43Å; W527-I536 HydrophobicContact CB-CD1 4.25Å; W527-I536 HydrophobicContact CE3-CD1 3.92Å; I536-R538 HydrophobicContact CG2-CG 4.2Å |
| 537 | M | 97.6 | Very high | 92.2 | Very high | 77 Ų | 77 | 68.3 Ų | 68.3 | 38% | 0.379 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 131.4 | 171.1 | -178.4 | -168.5 | 78.3 | 0 | 0 | 108.8 | T424 G427 A428 S431 I522 V523 | T424-M537 HydrophobicContact CG2-CB 4.26Å; G427-M537 VanDerWaalsContact C-SD 3.53Å; A428-M537 WeakPolarHBondContact CA-SD 3.5Å; A428-M537 HydrophobicContact CB-CG 4.23Å; A428-M537 HydrophobicContact CB-SD 3.97Å; A428-M537 PolarHBondContact N-SD 3Å; A428-M537 VanDerWaalsContact N-SD 3.44Å; S431-M537 WeakPolarHBondContact OG-CE 3.31Å; I522-M537 HydrophobicContact CG2-CG 3.84Å; I522-M537 HydrophobicContact CG2-SD 4.44Å; V523-M537 CarbonylContact O-C 3.58Å; V523-M537 WeakPolarHBondContact O-CA 3.3Å |
| 538 | R | 97.9 | Very high | 92.4 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 35% | 0.347 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.6 | 174.1 | -64.2 | 179.2 | -80.1 | 172.7 | -5.4 | 109.1 | I522 V523 I536 V540 | I522-R538 CarbonylContact C-O 3.55Å; I522-R538 WeakPolarHBondContact CA-O 3.33Å; V523-R538 HydrophobicContact CB-CB 4.4Å; V523-R538 PolarHBondContact N-O 3.35Å; V523-R538 PolarHBondContact O-N 3.17Å; I536-R538 HydrophobicContact CG2-CG 4.2Å; R538-V540 HydrophobicContact CB-CG1 4.1Å |
| 539 | A | 97.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 59.4 Ų | 59.4 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | M520 I522 | M520-A539 HydrophobicContact CE-CB 3.94Å; I522-A539 HydrophobicContact CD1-CB 3.88Å |
| 540 | V | 96.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 57.9 Ų | 57.9 | 29% | 0.291 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 158.8 | -174.3 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | M506 V521 V523 R538 | M506-V540 HydrophobicContact CE-CG2 3.68Å; V521-V540 HydrophobicContact CG2-CG2 3.63Å; V521-V540 PolarHBondContact N-O 2.62Å; V521-V540 PolarHBondContact O-N 3.11Å; V523-V540 HydrophobicContact CG2-CG2 3.83Å; R538-V540 HydrophobicContact CB-CG1 4.1Å |
| 541 | S | 93.2 | Very high | 93.3 | Very high | 80 Ų | 80 | 58.6 Ų | 58.6 | 56% | 0.559 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 136.7 | 168.4 | -57.8 | 0 | 0 | 0 | 0 | 109.9 | D519 | D519-S541 CarbonylContact O-C 3.32Å; D519-S541 WeakPolarHBondContact O-CA 3.32Å |
| 542 | A | 85.9 | Confident | 93.9 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | trans | -70.2 | 0 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M506 K510 F515 S517 G518 D519 V521 | M506-A542 HydrophobicContact SD-CB 4.33Å; K510-A542 WeakPolarHBondContact CE-OXT 3.34Å; K510-A542 PolarHBondContact NZ-OXT 2.88Å; F515-A542 HydrophobicContact CD2-CB 3.59Å; F515-A542 HydrophobicContact CE2-CB 3.7Å; S517-A542 CarbonylContact C-O 3.58Å; S517-A542 VanDerWaalsContact CA-O 3.29Å; S517-A542 WeakPolarHBondContact CA-O 3.45Å; G518-A542 PolarHBondContact N-O 3.32Å; D519-A542 WeakPolarHBondContact O-CB 3.33Å; D519-A542 PolarHBondContact O-N 3.32Å; V521-A542 HydrophobicContact CG1-CB 4.12Å; V521-A542 HydrophobicContact CG2-CB 4.37Å |
Retrieved 542 of 542 residues in 1007.8 ms
(Link to these results)