| 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 | 35.6 | Very low | 43.6 | Very low | 242 Ų | 242 | 152.3 Ų | 152.3 | 100% | 1.192 | 72% | 0.724 | S | S | * | * | 0 | 103.8 | 0 | -158.3 | 165.2 | 84.1 | 0 | 0 | 107.9 | M3 | M1-M3 PolarHBondContact O-N 3.01Š| |||
| 2 | R | 35.7 | Very low | 44.7 | Very low | 241 Ų | 241 | 152.1 Ų | 152.1 | 91% | 0.909 | 72% | 0.718 | S | S | * | * | trans | -69.6 | 117.3 | -179.5 | -82.1 | 178.9 | 172.4 | 174.9 | -2.6 | 108.8 | L4 | R2-L4 PolarHBondContact O-N 3.34Š| ||
| 3 | M | 37.6 | Very low | 45.6 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 86% | 0.857 | 72% | 0.719 | S | S | * | * | trans | -70.8 | 95.6 | 174.2 | -125.4 | 174.3 | 83.2 | 0 | 0 | 108.6 | M1 I5 | M1-M3 PolarHBondContact O-N 3.01Å; M3-I5 PolarHBondContact O-N 3Å | ||
| 4 | L | 40.3 | Very low | 46.7 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 87% | 0.869 | 71% | 0.706 | S | S | * | * | trans | -68.7 | 92.6 | 169.9 | -85.8 | 153 | 0 | 0 | 0 | 108.5 | R2 S6 | R2-L4 PolarHBondContact O-N 3.34Å; L4-S6 PolarHBondContact O-N 3.04Å | ||
| 5 | I | 46.8 | Very low | 48.1 | Very low | 123 Ų | 123 | 151.1 Ų | 151.1 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | trans | -62.8 | 108.7 | 164.3 | -61.5 | 174.3 | 0 | 0 | 0 | 106.5 | M3 G7 V10 | M3-I5 PolarHBondContact O-N 3Å; I5-G7 PolarHBondContact O-N 3.08Å; I5-G7 VanDerWaalsContact O-N 3.16Å; I5-V10 HydrophobicContact CG2-CG2 3.83Å | ||
| 6 | S | 43.6 | Very low | 49.5 | Very low | 64 Ų | 64 | 148.6 Ų | 148.6 | 45% | 0.448 | 69% | 0.69 | S | S | . | * | trans | -57.2 | 116 | -179.9 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L4 R8 R9 | L4-S6 PolarHBondContact O-N 3.04Å; S6-R8 PolarHBondContact O-N 2.97Å; S6-R9 PolarHBondContact O-N 3.46Å | ||
| 7 | G | 45.9 | Very low | 50.7 | Low | 48 Ų | 48 | 146.4 Ų | 146.4 | 50% | 0.495 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -58.2 | -16.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | I5 K11 | I5-G7 PolarHBondContact O-N 3.08Å; I5-G7 VanDerWaalsContact O-N 3.16Å; G7-K11 WeakPolarHBondContact O-CB 3.4Å; G7-K11 WeakPolarHBondContact O-CG 3.47Å; G7-K11 PolarHBondContact O-N 3.16Å; G7-K11 VanDerWaalsContact O-N 3.08Å |
| 8 | R | 49.3 | Very low | 51.9 | Low | 213 Ų | 213 | 144 Ų | 144 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -72.4 | -32.5 | 171.8 | -75.5 | -177.1 | 174.9 | 176.8 | -1.5 | 113 | S6 K12 | S6-R8 PolarHBondContact O-N 2.97Å; R8-K12 WeakPolarHBondContact O-CB 3.49Å; R8-K12 PolarHBondContact O-N 3.2Å; R8-K12 VanDerWaalsContact O-N 3.1Å |
| 9 | R | 41.3 | Very low | 53.2 | Low | 191 Ų | 191 | 143.8 Ų | 143.8 | 72% | 0.721 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.7 | -43.1 | 173.7 | -86.2 | -174.3 | -178.6 | 177.8 | 1 | 110.7 | S6 K11 K12 W13 | S6-R9 PolarHBondContact O-N 3.46Å; R9-K11 PolarHBondContact O-N 2.93Å; R9-K12 PolarHBondContact O-N 3.1Å; R9-W13 PolarHBondContact O-N 3.01Å |
| 10 | V | 49.8 | Very low | 54.2 | Low | 66 Ų | 66 | 138.2 Ų | 138.2 | 40% | 0.4 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -60.4 | -45 | 176.7 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | I5 K12 W13 Q14 | I5-V10 HydrophobicContact CG2-CG2 3.83Å; V10-K12 PolarHBondContact O-N 2.97Å; V10-W13 PolarHBondContact O-N 3.47Å; V10-Q14 WeakPolarHBondContact O-CB 3.39Å; V10-Q14 WeakPolarHBondContact O-CG 3.33Å; V10-Q14 PolarHBondContact O-N 2.88Å |
| 11 | K | 53.3 | Low | 55.2 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 64% | 0.639 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.4 | -36.5 | 174.9 | -76.5 | -175.7 | 177.1 | -172.8 | 0 | 113.7 | G7 R9 F15 | G7-K11 WeakPolarHBondContact O-CB 3.4Å; G7-K11 WeakPolarHBondContact O-CG 3.47Å; G7-K11 PolarHBondContact O-N 3.16Å; G7-K11 VanDerWaalsContact O-N 3.08Å; R9-K11 PolarHBondContact O-N 2.93Å; K11-F15 WeakPolarHBondContact O-CB 3.48Å; K11-F15 PolarHBondContact O-N 2.89Å |
| 12 | K | 56.6 | Low | 57.1 | Low | 150 Ų | 150 | 126.2 Ų | 126.2 | 65% | 0.652 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.6 | -43.2 | 174.5 | -97.8 | -172.2 | 172.9 | -172.9 | 0 | 112.1 | R8 R9 V10 F15 I16 | R8-K12 WeakPolarHBondContact O-CB 3.49Å; R8-K12 PolarHBondContact O-N 3.2Å; R8-K12 VanDerWaalsContact O-N 3.1Å; R9-K12 PolarHBondContact O-N 3.1Å; V10-K12 PolarHBondContact O-N 2.97Å; K12-F15 PolarHBondContact O-N 3.45Å; K12-I16 WeakPolarHBondContact O-CB 3.42Å; K12-I16 WeakPolarHBondContact O-CD1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.47Å; K12-I16 PolarHBondContact O-N 3.35Å |
| 13 | W | 56.8 | Low | 59 | Low | 193 Ų | 193 | 121.5 Ų | 121.5 | 73% | 0.731 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 176.5 | -83.7 | 73 | 0 | 0 | 0 | 111.6 | R9 V10 I16 Q17 | R9-W13 PolarHBondContact O-N 3.01Å; V10-W13 PolarHBondContact O-N 3.47Å; W13-I16 PolarHBondContact O-N 2.87Å; W13-Q17 VanDerWaalsContact O-CB 3.28Å; W13-Q17 WeakPolarHBondContact O-CB 3.27Å; W13-Q17 PolarHBondContact O-N 3.35Å |
| 14 | Q | 61.7 | Low | 60.7 | Low | 115 Ų | 115 | 114.6 Ų | 114.6 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.9 | -40.5 | 173 | -73.1 | 175.3 | -26.7 | 0 | 0 | 112.4 | V10 Q17 L18 | V10-Q14 WeakPolarHBondContact O-CB 3.39Å; V10-Q14 WeakPolarHBondContact O-CG 3.33Å; V10-Q14 PolarHBondContact O-N 2.88Å; Q14-Q17 PolarHBondContact O-N 3.32Å; Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 PolarHBondContact O-N 2.87Å |
| 15 | F | 67.8 | Low | 62.1 | Low | 133 Ų | 133 | 108.2 Ų | 108.2 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.9 | -41.2 | 175.7 | -116.7 | -92.9 | 0 | 0 | 0 | 112.8 | K11 K12 Q17 L18 F19 | K11-F15 WeakPolarHBondContact O-CB 3.48Å; K11-F15 PolarHBondContact O-N 2.89Å; K12-F15 PolarHBondContact O-N 3.45Å; F15-Q17 VanDerWaalsContact C-N 3.33Å; F15-L18 PolarHBondContact O-N 2.85Å; F15-F19 HydrophobicContact CD1-CD2 4.1Å; F15-F19 HydrophobicContact CD1-CE2 4.16Å; F15-F19 HydrophobicContact CE1-CE2 4.25Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 3.32Å |
| 16 | I | 70.3 | Confident | 63.3 | Low | 111 Ų | 111 | 105 Ų | 105 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 176.3 | -70.2 | 163.7 | 0 | 0 | 0 | 109.9 | K12 W13 F19 A20 | K12-I16 WeakPolarHBondContact O-CB 3.42Å; K12-I16 WeakPolarHBondContact O-CD1 3.28Å; K12-I16 WeakPolarHBondContact O-CG1 3.47Å; K12-I16 PolarHBondContact O-N 3.35Å; W13-I16 PolarHBondContact O-N 2.87Å; I16-F19 PolarHBondContact O-N 2.93Å; I16-A20 VanDerWaalsContact O-CB 3.27Å; I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 3.41Å |
| 17 | Q | 68.6 | Low | 64.6 | Low | 112 Ų | 112 | 104.1 Ų | 104.1 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 176.4 | -165.6 | 174.3 | 1.8 | 0 | 0 | 111.5 | W13 Q14 F15 A20 T21 | W13-Q17 VanDerWaalsContact O-CB 3.28Å; W13-Q17 WeakPolarHBondContact O-CB 3.27Å; W13-Q17 PolarHBondContact O-N 3.35Å; Q14-Q17 PolarHBondContact O-N 3.32Å; F15-Q17 VanDerWaalsContact C-N 3.33Å; Q17-A20 PolarHBondContact O-N 2.89Å; Q17-T21 WeakPolarHBondContact O-CB 3.17Å; Q17-T21 WeakPolarHBondContact O-CG2 3.2Å; Q17-T21 PolarHBondContact O-N 2.85Å; Q17-T21 PolarHBondContact O-OG1 2.89Å |
| 18 | L | 73.6 | Confident | 65.6 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174.2 | -159.1 | 93.2 | 0 | 0 | 0 | 111.7 | Q14 F15 T21 C22 | Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 PolarHBondContact O-N 2.87Å; F15-L18 PolarHBondContact O-N 2.85Å; L18-T21 WeakPolarHBondContact CA-OG1 3.41Å; L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 PolarHBondContact O-OG1 3.46Å; L18-C22 WeakPolarHBondContact O-CB 3.11Å; L18-C22 PolarHBondContact O-N 2.88Å; L18-C22 PolarHBondContact O-SG 2.88Å |
| 19 | F | 75.2 | Confident | 66.4 | Low | 141 Ų | 141 | 100.8 Ų | 100.8 | 62% | 0.618 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 176 | -104.3 | -88.3 | 0 | 0 | 0 | 112.2 | F15 I16 C22 F23 | F15-F19 HydrophobicContact CD1-CD2 4.1Å; F15-F19 HydrophobicContact CD1-CE2 4.16Å; F15-F19 HydrophobicContact CE1-CE2 4.25Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 3.32Å; I16-F19 PolarHBondContact O-N 2.93Å; F19-C22 PolarHBondContact O-N 3.39Å; F19-F23 WeakPolarHBondContact O-CB 3.31Å; F19-F23 PolarHBondContact O-N 3.4Å |
| 20 | A | 74.6 | Confident | 67.6 | Low | 31 Ų | 31 | 98.5 Ų | 98.5 | 26% | 0.256 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I16 Q17 F23 I24 | I16-A20 VanDerWaalsContact O-CB 3.27Å; I16-A20 WeakPolarHBondContact O-CB 3.36Å; I16-A20 PolarHBondContact O-N 3.41Å; Q17-A20 PolarHBondContact O-N 2.89Å; A20-F23 PolarHBondContact O-N 3.48Å; A20-I24 VanDerWaalsContact O-CB 3.31Å; A20-I24 WeakPolarHBondContact O-CB 3.43Å; A20-I24 WeakPolarHBondContact O-CD1 3.4Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.49Å |
| 21 | T | 74.5 | Confident | 68.3 | Low | 44 Ų | 44 | 97.4 Ų | 97.4 | 27% | 0.27 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112.3 | Q17 L18 I24 G25 Y49 L50 | Q17-T21 WeakPolarHBondContact O-CB 3.17Å; Q17-T21 WeakPolarHBondContact O-CG2 3.2Å; Q17-T21 PolarHBondContact O-N 2.85Å; Q17-T21 PolarHBondContact O-OG1 2.89Å; L18-T21 WeakPolarHBondContact CA-OG1 3.41Å; L18-T21 PolarHBondContact O-N 3.38Å; L18-T21 PolarHBondContact O-OG1 3.46Å; T21-I24 PolarHBondContact O-N 2.86Å; T21-G25 PolarHBondContact O-N 3.41Å; T21-Y49 HydrophobicContact CG2-CE1 4.37Å; T21-L50 HydrophobicContact CG2-CD2 3.67Å |
| 22 | C | 75.1 | Confident | 68.7 | Low | 84 Ų | 84 | 96.6 Ų | 96.6 | 57% | 0.568 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 174.3 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | L18 F19 G25 S26 | L18-C22 WeakPolarHBondContact O-CB 3.11Å; L18-C22 PolarHBondContact O-N 2.88Å; L18-C22 PolarHBondContact O-SG 2.88Å; F19-C22 PolarHBondContact O-N 3.39Å; C22-G25 PolarHBondContact O-N 3.11Å; C22-S26 WeakPolarHBondContact O-CB 3.29Å; C22-S26 PolarHBondContact O-N 2.93Å |
| 23 | F | 75.9 | Confident | 68.9 | Low | 142 Ų | 142 | 94.9 Ų | 94.9 | 62% | 0.623 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.4 | -45.3 | 177.4 | -178.8 | -107.6 | 0 | 0 | 0 | 111.6 | F19 A20 S26 L27 | F19-F23 WeakPolarHBondContact O-CB 3.31Å; F19-F23 PolarHBondContact O-N 3.4Å; A20-F23 PolarHBondContact O-N 3.48Å; F23-S26 PolarHBondContact O-N 3.23Å; F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CE1-CD1 3.27Å; F23-L27 HydrophobicContact CE2-CD1 4.23Å; F23-L27 HydrophobicContact CG-CD1 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.6Å; F23-L27 PolarHBondContact O-N 2.86Å |
| 24 | I | 74.1 | Confident | 69.2 | Low | 29 Ų | 29 | 89.6 Ų | 89.6 | 15% | 0.149 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63 | -45.2 | 176 | -68.7 | 167.9 | 0 | 0 | 0 | 110.7 | A20 T21 S26 L27 M28 Y49 L50 | A20-I24 VanDerWaalsContact O-CB 3.31Å; A20-I24 WeakPolarHBondContact O-CB 3.43Å; A20-I24 WeakPolarHBondContact O-CD1 3.4Å; A20-I24 WeakPolarHBondContact O-CG1 3.32Å; A20-I24 PolarHBondContact O-N 3.49Å; T21-I24 PolarHBondContact O-N 2.86Å; I24-S26 VanDerWaalsContact C-N 3.35Å; I24-S26 PolarHBondContact O-N 3.36Å; I24-L27 WeakPolarHBondContact O-CB 3.18Å; I24-L27 PolarHBondContact O-N 3.45Å; I24-M28 HydrophobicContact CG2-SD 4.38Å; I24-M28 WeakPolarHBondContact O-CG 3.45Å; I24-M28 PolarHBondContact O-N 3.39Å; I24-Y49 HydrophobicContact CD1-CD1 3.52Å; I24-Y49 HydrophobicContact CD1-CE1 3.86Å; I24-Y49 HydrophobicContact CD1-CG 4.29Å; I24-L50 HydrophobicContact CG2-CD1 3.94Å; I24-L50 HydrophobicContact CG2-CD2 4.49Å; I24-L50 HydrophobicContact CG2-CG 4.18Å |
| 25 | G | 68.7 | Low | 69.2 | Low | 33 Ų | 33 | 87.4 Ų | 87.4 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T21 C22 M28 F29 | T21-G25 PolarHBondContact O-N 3.41Å; C22-G25 PolarHBondContact O-N 3.11Å; G25-M28 PolarHBondContact O-N 2.91Å; G25-F29 PolarHBondContact O-N 3.11Å; G25-F29 VanDerWaalsContact O-N 3.16Å |
| 26 | S | 72.2 | Confident | 69.5 | Low | 55 Ų | 55 | 84.8 Ų | 84.8 | 39% | 0.385 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 174 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | C22 F23 I24 F29 F30 | C22-S26 WeakPolarHBondContact O-CB 3.29Å; C22-S26 PolarHBondContact O-N 2.93Å; F23-S26 PolarHBondContact O-N 3.23Å; I24-S26 VanDerWaalsContact C-N 3.35Å; I24-S26 PolarHBondContact O-N 3.36Å; S26-F29 PolarHBondContact O-N 3.44Å; S26-F30 WeakPolarHBondContact O-CD2 3.42Å; S26-F30 PolarHBondContact O-N 3.08Å; S26-F30 VanDerWaalsContact OG-CE2 3.3Å; S26-F30 WeakPolarHBondContact OG-CE2 3.34Å |
| 27 | L | 70.9 | Confident | 69.7 | Low | 46 Ų | 46 | 85.6 Ų | 85.6 | 24% | 0.241 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61 | -43 | 176.6 | -86.8 | 155.7 | 0 | 0 | 0 | 112.1 | F23 I24 F29 F30 W31 | F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CE1-CD1 3.27Å; F23-L27 HydrophobicContact CE2-CD1 4.23Å; F23-L27 HydrophobicContact CG-CD1 4.28Å; F23-L27 HydrophobicContact CZ-CD1 3.6Å; F23-L27 PolarHBondContact O-N 2.86Å; I24-L27 WeakPolarHBondContact O-CB 3.18Å; I24-L27 PolarHBondContact O-N 3.45Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.13Å; L27-F30 PolarHBondContact O-N 3.04Å; L27-W31 HydrophobicContact CB-CE3 4.48Å; L27-W31 HydrophobicContact CB-CH2 4.3Å; L27-W31 HydrophobicContact CB-CZ2 4.42Å; L27-W31 HydrophobicContact CB-CZ3 4.34Å; L27-W31 HydrophobicContact CD2-CD2 4.42Å; L27-W31 HydrophobicContact CD2-CH2 3.84Å; L27-W31 HydrophobicContact CD2-CZ2 3.3Å; L27-W31 HydrophobicContact CG-CH2 4.5Å; L27-W31 HydrophobicContact CG-CZ2 4.37Å; L27-W31 WeakPolarHBondContact O-CB 3.29Å; L27-W31 PolarHBondContact O-N 3.18Å |
| 28 | M | 67.5 | Low | 70.1 | Confident | 42 Ų | 42 | 85.5 Ų | 85.5 | 21% | 0.207 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.8 | -72.2 | -174.8 | 70 | 0 | 0 | 112.3 | I24 G25 W31 E32 Y47 L50 P246 | I24-M28 HydrophobicContact CG2-SD 4.38Å; I24-M28 WeakPolarHBondContact O-CG 3.45Å; I24-M28 PolarHBondContact O-N 3.39Å; G25-M28 PolarHBondContact O-N 2.91Å; M28-W31 PolarHBondContact O-N 2.87Å; M28-E32 PolarHBondContact O-N 3.49Å; M28-Y47 HydrophobicContact CE-CD2 4.1Å; M28-L50 HydrophobicContact SD-CD1 3.94Å; M28-P246 HydrophobicContact CE-CG 4.27Å |
| 29 | F | 66.2 | Low | 70.4 | Confident | 148 Ų | 148 | 81.5 Ų | 81.5 | 65% | 0.649 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -66.8 | -45.4 | 176.7 | -169 | -96.4 | 0 | 0 | 0 | 112.1 | G25 S26 L27 W31 E32 | G25-F29 PolarHBondContact O-N 3.11Å; G25-F29 VanDerWaalsContact O-N 3.16Å; S26-F29 PolarHBondContact O-N 3.44Å; L27-F29 VanDerWaalsContact C-N 3.32Å; L27-F29 PolarHBondContact O-N 3.13Å; F29-W31 VanDerWaalsContact C-N 3.26Å; F29-W31 PolarHBondContact O-N 3.22Å; F29-E32 WeakPolarHBondContact O-CB 3.44Å; F29-E32 PolarHBondContact O-N 3.37Å |
| 30 | F | 65.6 | Low | 70.7 | Confident | 143 Ų | 143 | 75.7 Ų | 75.7 | 63% | 0.627 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -68.2 | -24.4 | 178.1 | -76.4 | -65.6 | 0 | 0 | 0 | 113.7 | S26 L27 | S26-F30 WeakPolarHBondContact O-CD2 3.42Å; S26-F30 PolarHBondContact O-N 3.08Å; S26-F30 VanDerWaalsContact OG-CE2 3.3Å; S26-F30 WeakPolarHBondContact OG-CE2 3.34Å; L27-F30 PolarHBondContact O-N 3.04Å |
| 31 | W | 65.9 | Low | 71.1 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 16% | 0.163 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -7.4 | 179.2 | -68.9 | -14 | 0 | 0 | 0 | 114.3 | L27 M28 F29 P33 I34 V39 M42 K43 | L27-W31 HydrophobicContact CB-CE3 4.48Å; L27-W31 HydrophobicContact CB-CH2 4.3Å; L27-W31 HydrophobicContact CB-CZ2 4.42Å; L27-W31 HydrophobicContact CB-CZ3 4.34Å; L27-W31 HydrophobicContact CD2-CD2 4.42Å; L27-W31 HydrophobicContact CD2-CH2 3.84Å; L27-W31 HydrophobicContact CD2-CZ2 3.3Å; L27-W31 HydrophobicContact CG-CH2 4.5Å; L27-W31 HydrophobicContact CG-CZ2 4.37Å; L27-W31 WeakPolarHBondContact O-CB 3.29Å; L27-W31 PolarHBondContact O-N 3.18Å; M28-W31 PolarHBondContact O-N 2.87Å; F29-W31 VanDerWaalsContact C-N 3.26Å; F29-W31 PolarHBondContact O-N 3.22Å; W31-P33 VanDerWaalsContact C-N 3.28Å; W31-P33 VanDerWaalsContact O-N 3.17Å; W31-I34 PolarHBondContact O-N 3Å; W31-V39 HydrophobicContact CB-CG1 3.75Å; W31-V39 HydrophobicContact CD2-CG1 4.14Å; W31-V39 HydrophobicContact CE3-CG1 4.32Å; W31-V39 HydrophobicContact CG-CG1 3.95Å; W31-M42 HydrophobicContact CE3-CB 4.29Å; W31-M42 HydrophobicContact CH2-CB 3.75Å; W31-M42 HydrophobicContact CH2-CE 3.34Å; W31-M42 HydrophobicContact CH2-CG 4.35Å; W31-M42 HydrophobicContact CH2-SD 3.75Å; W31-M42 HydrophobicContact CZ2-CE 3.86Å; W31-M42 HydrophobicContact CZ2-SD 4.1Å; W31-M42 HydrophobicContact CZ3-CB 3.44Å; W31-M42 VanDerWaalsContact CZ3-CB 3.44Å; W31-M42 HydrophobicContact CZ3-CE 4.3Å; W31-M42 HydrophobicContact CZ3-CG 4.48Å; W31-M42 HydrophobicContact CZ3-SD 4.36Å; W31-K43 VanDerWaalsContact C-CE 3.43Å; W31-K43 HydrophobicContact CB-CG 4.48Å; W31-K43 HydrophobicContact CE3-CG 4.06Å; W31-K43 WeakPolarHBondContact O-CE 3.38Å; W31-K43 PolarHBondContact O-NZ 3.45Å |
| 32 | E | 60.4 | Low | 71.5 | Confident | 130 Ų | 130 | 80.4 Ų | 80.4 | 61% | 0.607 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | -42.8 | -178.6 | -162.2 | 170.2 | -166.2 | 0 | 0 | 113.6 | M28 F29 I34 K43 | M28-E32 PolarHBondContact O-N 3.49Å; F29-E32 WeakPolarHBondContact O-CB 3.44Å; F29-E32 PolarHBondContact O-N 3.37Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 3.4Å; E32-K43 PolarHBondContact O-NZ 3.35Å |
| 33 | P | 60.8 | Low | 71.8 | Confident | 114 Ų | 114 | 77.4 Ų | 77.4 | 74% | 0.74 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.3 | -178.7 | -13.4 | 29.8 | 0 | 0 | 0 | 115.6 | W31 | W31-P33 VanDerWaalsContact C-N 3.28Å; W31-P33 VanDerWaalsContact O-N 3.17Å |
| 34 | I | 63.7 | Low | 72.1 | Confident | 83 Ų | 83 | 70.9 Ų | 70.9 | 43% | 0.426 | 37% | 0.365 | S | S | . | . | trans | -104.2 | 103.8 | -171.1 | -52.5 | 174 | 0 | 0 | 0 | 109.8 | W31 E32 N36 V39 K43 | W31-I34 PolarHBondContact O-N 3Å; E32-I34 VanDerWaalsContact C-N 3.33Å; E32-I34 PolarHBondContact O-N 3.4Å; I34-N36 HydrophobicContact CG2-CB 4.05Å; I34-N36 PolarHBondContact O-N 2.94Å; I34-V39 HydrophobicContact CB-CG1 4.4Å; I34-V39 HydrophobicContact CG2-CB 4.46Å; I34-V39 HydrophobicContact CG2-CG2 3.94Å; I34-K43 PolarHBondContact O-NZ 2.99Å | ||
| 35 | D | 61.3 | Low | 72.6 | Confident | 69 Ų | 69 | 78 Ų | 78 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | trans | -90.1 | 92.2 | 167.9 | -80.1 | -25.2 | 0 | 0 | 0 | 109.3 | H231 | D35-H231 PolarHBondContact O-CE1 3.45Š| ||
| 36 | N | 75.1 | Confident | 73.2 | Confident | 77 Ų | 77 | 77 Ų | 77 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | trans | -137 | 139.9 | 174.1 | -179.8 | -43.2 | 0 | 0 | 0 | 108.4 | I34 I38 V39 S40 | I34-N36 HydrophobicContact CG2-CB 4.05Å; I34-N36 PolarHBondContact O-N 2.94Å; N36-I38 VanDerWaalsContact C-N 3.27Å; N36-I38 PolarHBondContact O-N 2.94Å; N36-I38 VanDerWaalsContact O-N 3.15Å; N36-I38 PolarHBondContact OD1-N 3.02Å; N36-V39 HydrophobicContact CB-CB 4.3Å; N36-V39 HydrophobicContact CB-CG2 4.12Å; N36-V39 PolarHBondContact O-N 3.41Å; N36-S40 PolarHBondContact O-N 3.14Å; N36-S40 PolarHBondContact O-OG 3.4Å | ||
| 37 | H | 74.1 | Confident | 73.7 | Confident | 129 Ų | 129 | 75.5 Ų | 75.5 | 60% | 0.597 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -43.5 | -49.2 | 177.9 | -178.4 | -86 | 0 | 0 | 0 | 113.3 | V39 S40 H41 | H37-V39 PolarHBondContact O-N 3.13Å; H37-S40 PolarHBondContact O-N 3.21Å; H37-H41 AromaticContact CE1-CD2 3.43Å; H37-H41 PolarHBondContact CE1-CD2 2.98Å; H37-H41 VanDerWaalsContact CE1-CD2 3.43Å; H37-H41 AromaticContact CE1-NE2 3.52Å; H37-H41 AromaticContact ND1-CD2 3.75Å; H37-H41 AromaticContact NE2-CD2 3.68Å; H37-H41 AromaticContact NE2-NE2 3.4Å; H37-H41 PolarHBondContact NE2-NE2 3.36Å; H37-H41 PolarHBondContact O-CD2 2.04Å; H37-H41 VanDerWaalsContact O-CD2 3.23Å; H37-H41 PolarHBondContact O-N 2.52Å; H37-H41 VanDerWaalsContact O-N 3.13Å |
| 38 | I | 77.1 | Confident | 74.2 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63 | -47.5 | -179.6 | -61.5 | 176.4 | 0 | 0 | 0 | 110.6 | N36 S40 H41 M42 | N36-I38 VanDerWaalsContact C-N 3.27Å; N36-I38 PolarHBondContact O-N 2.94Å; N36-I38 VanDerWaalsContact O-N 3.15Å; N36-I38 PolarHBondContact OD1-N 3.02Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.63Å; I38-H41 PolarHBondContact O-N 3.38Å; I38-M42 HydrophobicContact CG2-CG 4.38Å; I38-M42 HydrophobicContact CG2-SD 4.04Å; I38-M42 WeakPolarHBondContact O-CG 3.3Å; I38-M42 PolarHBondContact O-N 2.98Å |
| 39 | V | 79.6 | Confident | 74.8 | Confident | 19 Ų | 19 | 80.1 Ų | 80.1 | 12% | 0.115 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.8 | -40.7 | -178.4 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | W31 I34 N36 H37 H41 M42 K43 | W31-V39 HydrophobicContact CB-CG1 3.75Å; W31-V39 HydrophobicContact CD2-CG1 4.14Å; W31-V39 HydrophobicContact CE3-CG1 4.32Å; W31-V39 HydrophobicContact CG-CG1 3.95Å; I34-V39 HydrophobicContact CB-CG1 4.4Å; I34-V39 HydrophobicContact CG2-CB 4.46Å; I34-V39 HydrophobicContact CG2-CG2 3.94Å; N36-V39 HydrophobicContact CB-CB 4.3Å; N36-V39 HydrophobicContact CB-CG2 4.12Å; N36-V39 PolarHBondContact O-N 3.41Å; H37-V39 PolarHBondContact O-N 3.13Å; V39-H41 VanDerWaalsContact C-N 3.35Å; V39-H41 PolarHBondContact O-N 2.87Å; V39-M42 PolarHBondContact O-N 3.45Å; V39-K43 HydrophobicContact CG1-CD 4.22Å; V39-K43 HydrophobicContact CG1-CG 4.32Å; V39-K43 WeakPolarHBondContact O-CB 3.42Å; V39-K43 WeakPolarHBondContact O-CG 3.48Å; V39-K43 PolarHBondContact O-N 3.28Å |
| 40 | S | 81.7 | Confident | 75.4 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | N36 H37 I38 K43 S44 | N36-S40 PolarHBondContact O-N 3.14Å; N36-S40 PolarHBondContact O-OG 3.4Å; H37-S40 PolarHBondContact O-N 3.21Å; I38-S40 VanDerWaalsContact C-N 3.34Å; I38-S40 PolarHBondContact O-N 2.63Å; S40-K43 PolarHBondContact O-N 2.92Å; S40-S44 WeakPolarHBondContact O-CB 3.4Å; S40-S44 PolarHBondContact O-N 3.31Å |
| 41 | H | 82.9 | Confident | 75.9 | Confident | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.407 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.8 | -40.4 | 174.8 | -84.2 | -80.1 | 0 | 0 | 0 | 112.5 | H37 I38 V39 S44 Y45 | H37-H41 AromaticContact CE1-CD2 3.43Å; H37-H41 PolarHBondContact CE1-CD2 2.98Å; H37-H41 VanDerWaalsContact CE1-CD2 3.43Å; H37-H41 AromaticContact CE1-NE2 3.52Å; H37-H41 AromaticContact ND1-CD2 3.75Å; H37-H41 AromaticContact NE2-CD2 3.68Å; H37-H41 AromaticContact NE2-NE2 3.4Å; H37-H41 PolarHBondContact NE2-NE2 3.36Å; H37-H41 PolarHBondContact O-CD2 2.04Å; H37-H41 VanDerWaalsContact O-CD2 3.23Å; H37-H41 PolarHBondContact O-N 2.52Å; H37-H41 VanDerWaalsContact O-N 3.13Å; I38-H41 PolarHBondContact O-N 3.38Å; V39-H41 VanDerWaalsContact C-N 3.35Å; V39-H41 PolarHBondContact O-N 2.87Å; H41-S44 PolarHBondContact O-N 2.93Å; H41-Y45 WeakPolarHBondContact O-CB 3.09Å; H41-Y45 PolarHBondContact O-N 2.97Å |
| 42 | M | 82.2 | Confident | 75.8 | Confident | 87 Ų | 87 | 77.7 Ų | 77.7 | 43% | 0.429 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.3 | -41.1 | 175.5 | -65.9 | -180 | 85 | 0 | 0 | 112 | W31 I38 V39 Y45 S46 | W31-M42 HydrophobicContact CE3-CB 4.29Å; W31-M42 HydrophobicContact CH2-CB 3.75Å; W31-M42 HydrophobicContact CH2-CE 3.34Å; W31-M42 HydrophobicContact CH2-CG 4.35Å; W31-M42 HydrophobicContact CH2-SD 3.75Å; W31-M42 HydrophobicContact CZ2-CE 3.86Å; W31-M42 HydrophobicContact CZ2-SD 4.1Å; W31-M42 HydrophobicContact CZ3-CB 3.44Å; W31-M42 VanDerWaalsContact CZ3-CB 3.44Å; W31-M42 HydrophobicContact CZ3-CE 4.3Å; W31-M42 HydrophobicContact CZ3-CG 4.48Å; W31-M42 HydrophobicContact CZ3-SD 4.36Å; I38-M42 HydrophobicContact CG2-CG 4.38Å; I38-M42 HydrophobicContact CG2-SD 4.04Å; I38-M42 WeakPolarHBondContact O-CG 3.3Å; I38-M42 PolarHBondContact O-N 2.98Å; V39-M42 PolarHBondContact O-N 3.45Å; M42-Y45 PolarHBondContact O-N 3.37Å; M42-S46 WeakPolarHBondContact O-CB 3.05Å; M42-S46 PolarHBondContact O-N 3.44Å; M42-S46 PolarHBondContact O-OG 2.89Å |
| 43 | K | 81.3 | Confident | 76.4 | Confident | 21 Ų | 21 | 74 Ų | 74 | 9% | 0.091 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -48.1 | 173.1 | -77.8 | 176.7 | 179.6 | 171.2 | 0 | 111 | W31 E32 I34 V39 S40 S46 Y47 | W31-K43 VanDerWaalsContact C-CE 3.43Å; W31-K43 HydrophobicContact CB-CG 4.48Å; W31-K43 HydrophobicContact CE3-CG 4.06Å; W31-K43 WeakPolarHBondContact O-CE 3.38Å; W31-K43 PolarHBondContact O-NZ 3.45Å; E32-K43 PolarHBondContact O-NZ 3.35Å; I34-K43 PolarHBondContact O-NZ 2.99Å; V39-K43 HydrophobicContact CG1-CD 4.22Å; V39-K43 HydrophobicContact CG1-CG 4.32Å; V39-K43 WeakPolarHBondContact O-CB 3.42Å; V39-K43 WeakPolarHBondContact O-CG 3.48Å; V39-K43 PolarHBondContact O-N 3.28Å; S40-K43 PolarHBondContact O-N 2.92Å; K43-S46 WeakPolarHBondContact O-CB 3.26Å; K43-S46 PolarHBondContact O-N 3.48Å; K43-Y47 WeakPolarHBondContact O-CB 3.09Å; K43-Y47 PolarHBondContact O-N 2.9Å |
| 44 | S | 83.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 69.7 Ų | 69.7 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.8 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | S40 H41 S46 Y47 R48 G225 A247 | S40-S44 WeakPolarHBondContact O-CB 3.4Å; S40-S44 PolarHBondContact O-N 3.31Å; H41-S44 PolarHBondContact O-N 2.93Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.2Å; S44-Y47 WeakPolarHBondContact O-CB 3.39Å; S44-Y47 PolarHBondContact O-N 3.27Å; S44-R48 PolarHBondContact O-N 3.19Å; S44-G225 PolarHBondContact OG-O 3.3Å; S44-A247 WeakPolarHBondContact OG-CB 3.49Å |
| 45 | Y | 83.3 | Confident | 77.8 | Confident | 179 Ų | 179 | 70.1 Ų | 70.1 | 70% | 0.702 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -59.9 | -45.2 | 178.5 | -176.4 | -93.2 | 0 | 0 | 0 | 111.8 | H41 M42 R48 Y49 | H41-Y45 WeakPolarHBondContact O-CB 3.09Å; H41-Y45 PolarHBondContact O-N 2.97Å; M42-Y45 PolarHBondContact O-N 3.37Å; Y45-R48 PolarHBondContact O-N 2.9Å; Y45-Y49 PolarHBondContact O-N 2.66Å |
| 46 | S | 82.6 | Confident | 78.3 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.9 | -47.9 | 175.3 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | M42 K43 S44 R48 Y49 L50 | M42-S46 WeakPolarHBondContact O-CB 3.05Å; M42-S46 PolarHBondContact O-N 3.44Å; M42-S46 PolarHBondContact O-OG 2.89Å; K43-S46 WeakPolarHBondContact O-CB 3.26Å; K43-S46 PolarHBondContact O-N 3.48Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.2Å; S46-R48 PolarHBondContact O-N 3.47Å; S46-Y49 WeakPolarHBondContact O-CB 3.08Å; S46-Y49 PolarHBondContact O-N 3.49Å; S46-L50 WeakPolarHBondContact O-CG 3.27Å; S46-L50 PolarHBondContact O-N 2.91Å; S46-L50 VanDerWaalsContact O-N 3.13Å |
| 47 | Y | 82.3 | Confident | 78.3 | Confident | 23 Ų | 23 | 65.8 Ų | 65.8 | 9% | 0.09 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 179 | -177.9 | -104.6 | 0 | 0 | 0 | 112.1 | M28 K43 S44 Y49 L50 I51 Y54 F56 W245 P246 A247 | M28-Y47 HydrophobicContact CE-CD2 4.1Å; K43-Y47 WeakPolarHBondContact O-CB 3.09Å; K43-Y47 PolarHBondContact O-N 2.9Å; S44-Y47 WeakPolarHBondContact O-CB 3.39Å; S44-Y47 PolarHBondContact O-N 3.27Å; Y47-Y49 VanDerWaalsContact C-N 3.28Å; Y47-Y49 PolarHBondContact O-N 3.43Å; Y47-L50 PolarHBondContact O-N 3.07Å; Y47-L50 VanDerWaalsContact O-N 3.11Å; Y47-I51 HydrophobicContact CD2-CD1 3.87Å; Y47-I51 HydrophobicContact CD2-CG1 4.41Å; Y47-I51 HydrophobicContact CE1-CD1 3.96Å; Y47-I51 HydrophobicContact CE2-CD1 3.19Å; Y47-I51 HydrophobicContact CE2-CG1 4.18Å; Y47-I51 PolarHBondContact O-N 2.97Å; Y47-I51 WeakPolarHBondContact OH-CD1 3.4Å; Y47-Y54 HydrophobicContact CE1-CE1 4.06Å; Y47-F56 HydrophobicContact CE1-CZ 4.3Å; Y47-F56 AromaticContact CZ-CZ 3.95Å; Y47-F56 WeakPolarHBondContact OH-CE2 3.45Å; Y47-F56 WeakPolarHBondContact OH-CZ 3.31Å; Y47-W245 HydrophobicContact CE1-CB 4.46Å; Y47-P246 HydrophobicContact CD2-CG 3.85Å; Y47-P246 HydrophobicContact CE2-CG 4.15Å; Y47-P246 HydrophobicContact CG-CB 4.25Å; Y47-P246 HydrophobicContact CG-CG 4.06Å; Y47-A247 HydrophobicContact CD1-CB 3.82Å; Y47-A247 HydrophobicContact CE1-CB 4.41Å |
| 48 | R | 81.3 | Confident | 78.1 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.7 | -29.4 | 175.4 | -78.9 | -170.2 | 67.1 | 164.6 | 16 | 114 | S44 Y45 S46 L50 I51 Y54 R224 A247 D250 | S44-R48 PolarHBondContact O-N 3.19Å; Y45-R48 PolarHBondContact O-N 2.9Å; S46-R48 PolarHBondContact O-N 3.47Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-I51 VanDerWaalsContact O-O 3.06Å; R48-Y54 VanDerWaalsContact CG-OH 3.3Å; R48-Y54 WeakPolarHBondContact CG-OH 3.28Å; R48-R224 PolarHBondContact NH1-O 2.65Å; R48-A247 HydrophobicContact CG-CB 4.36Å; R48-D250 IonicContact CZ-OD1 3.18Å; R48-D250 IonicContact CZ-OD2 3.83Å; R48-D250 IonicContact NH1-OD1 2.71Å; R48-D250 PolarHBondContact NH1-OD1 3.42Å; R48-D250 IonicContact NH1-OD2 3.77Å; R48-D250 IonicContact NH2-OD1 3.07Å; R48-D250 PolarHBondContact NH2-OD1 3.22Å; R48-D250 IonicContact NH2-OD2 2.97Å; R48-D250 PolarHBondContact NH2-OD2 2.91Å |
| 49 | Y | 80.2 | Confident | 78 | Confident | 105 Ų | 105 | 61 Ų | 61 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 173.7 | -179.6 | -94.9 | 0 | 0 | 0 | 111.7 | T21 I24 Y45 S46 Y47 | T21-Y49 HydrophobicContact CG2-CE1 4.37Å; I24-Y49 HydrophobicContact CD1-CD1 3.52Å; I24-Y49 HydrophobicContact CD1-CE1 3.86Å; I24-Y49 HydrophobicContact CD1-CG 4.29Å; Y45-Y49 PolarHBondContact O-N 2.66Å; S46-Y49 WeakPolarHBondContact O-CB 3.08Å; S46-Y49 PolarHBondContact O-N 3.49Å; Y47-Y49 VanDerWaalsContact C-N 3.28Å; Y47-Y49 PolarHBondContact O-N 3.43Å |
| 50 | L | 78.3 | Confident | 77.9 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -81 | -31.4 | -179.4 | -66 | 177.6 | 0 | 0 | 0 | 113 | T21 I24 M28 S46 Y47 R48 | T21-L50 HydrophobicContact CG2-CD2 3.67Å; I24-L50 HydrophobicContact CG2-CD1 3.94Å; I24-L50 HydrophobicContact CG2-CD2 4.49Å; I24-L50 HydrophobicContact CG2-CG 4.18Å; M28-L50 HydrophobicContact SD-CD1 3.94Å; S46-L50 WeakPolarHBondContact O-CG 3.27Å; S46-L50 PolarHBondContact O-N 2.91Å; S46-L50 VanDerWaalsContact O-N 3.13Å; Y47-L50 PolarHBondContact O-N 3.07Å; Y47-L50 VanDerWaalsContact O-N 3.11Å; R48-L50 VanDerWaalsContact C-N 3.33Å |
| 51 | I | 75.4 | Confident | 77.8 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | trans | -112.8 | 119.4 | -173.9 | -59.6 | -166.1 | 0 | 0 | 0 | 110.7 | Y47 R48 S53 F56 | Y47-I51 HydrophobicContact CD2-CD1 3.87Å; Y47-I51 HydrophobicContact CD2-CG1 4.41Å; Y47-I51 HydrophobicContact CE1-CD1 3.96Å; Y47-I51 HydrophobicContact CE2-CD1 3.19Å; Y47-I51 HydrophobicContact CE2-CG1 4.18Å; Y47-I51 PolarHBondContact O-N 2.97Å; Y47-I51 WeakPolarHBondContact OH-CD1 3.4Å; R48-I51 VanDerWaalsContact O-O 3.06Å; I51-S53 WeakPolarHBondContact CG2-O 3.19Å; I51-F56 HydrophobicContact CD1-CE1 4.19Å; I51-F56 HydrophobicContact CD1-CZ 4.32Å; I51-F56 HydrophobicContact CG2-CE1 3.72Å; I51-F56 HydrophobicContact CG2-CZ 4.47Å | ||
| 52 | N | 64.9 | Low | 77.7 | Confident | 163 Ų | 163 | 61.6 Ų | 61.6 | 87% | 0.872 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -89.5 | -12.1 | -177.5 | -72.1 | -24 | 0 | 0 | 0 | 114.3 | ||
| 53 | S | 72.4 | Confident | 77.5 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | trans | -147.5 | 149.5 | 175.9 | 78.8 | 0 | 0 | 0 | 0 | 111.8 | I51 D55 F56 | I51-S53 WeakPolarHBondContact CG2-O 3.19Å; S53-D55 VanDerWaalsContact C-N 3.34Å; S53-D55 VanDerWaalsContact CB-OD2 3.25Å; S53-D55 WeakPolarHBondContact CB-OD2 3.19Å; S53-D55 PolarHBondContact OG-OD2 3.07Å; S53-F56 WeakPolarHBondContact O-CE1 3.48Å | ||
| 54 | Y | 78.7 | Confident | 76.7 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 9% | 0.086 | 34% | 0.34 | C | S | . | . | trans | -95.7 | 22.6 | 177.3 | -75.3 | -85.6 | 0 | 0 | 0 | 112.7 | Y47 R48 F56 V57 A247 Y248 P249 N290 | Y47-Y54 HydrophobicContact CE1-CE1 4.06Å; R48-Y54 VanDerWaalsContact CG-OH 3.3Å; R48-Y54 WeakPolarHBondContact CG-OH 3.28Å; Y54-F56 VanDerWaalsContact C-N 3.25Å; Y54-F56 HydrophobicContact CD1-CE1 4.45Å; Y54-F56 AromaticContact CD1-CZ 3.98Å; Y54-F56 HydrophobicContact CD1-CZ 3.98Å; Y54-F56 PolarHBondContact O-N 3.32Å; Y54-V57 HydrophobicContact CD1-CG2 3.79Å; Y54-V57 WeakPolarHBondContact O-CB 3.34Å; Y54-V57 PolarHBondContact O-N 3.39Å; Y54-A247 WeakPolarHBondContact CE1-O 3.4Å; Y54-A247 WeakPolarHBondContact OH-CB 3.2Å; Y54-Y248 PolarHBondContact OH-O 2.75Å; Y54-P249 HydrophobicContact CD2-CB 4.38Å; Y54-P249 HydrophobicContact CG-CB 4.49Å; Y54-N290 WeakPolarHBondContact CB-ND2 3.42Å; Y54-N290 WeakPolarHBondContact CB-OD1 3.41Å; Y54-N290 PolarHBondContact O-ND2 2.71Å | ||
| 55 | D | 76.4 | Confident | 75.5 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 49% | 0.492 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | -173.1 | -57.6 | -35.6 | 0 | 0 | 0 | 112.1 | S53 V57 N58 D59 | S53-D55 VanDerWaalsContact C-N 3.34Å; S53-D55 VanDerWaalsContact CB-OD2 3.25Å; S53-D55 WeakPolarHBondContact CB-OD2 3.19Å; S53-D55 PolarHBondContact OG-OD2 3.07Å; D55-V57 PolarHBondContact O-N 3.16Å; D55-N58 WeakPolarHBondContact O-CB 3.25Å; D55-N58 PolarHBondContact O-N 3.37Å; D55-D59 PolarHBondContact O-N 2.74Å |
| 56 | F | 71.7 | Confident | 74 | Confident | 56 Ų | 56 | 75 Ų | 75 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.2 | -27.3 | 177.4 | 65.4 | -88.1 | 0 | 0 | 0 | 113.7 | Y47 I51 S53 Y54 N58 T60 W245 | Y47-F56 HydrophobicContact CE1-CZ 4.3Å; Y47-F56 AromaticContact CZ-CZ 3.95Å; Y47-F56 WeakPolarHBondContact OH-CE2 3.45Å; Y47-F56 WeakPolarHBondContact OH-CZ 3.31Å; I51-F56 HydrophobicContact CD1-CE1 4.19Å; I51-F56 HydrophobicContact CD1-CZ 4.32Å; I51-F56 HydrophobicContact CG2-CE1 3.72Å; I51-F56 HydrophobicContact CG2-CZ 4.47Å; S53-F56 WeakPolarHBondContact O-CE1 3.48Å; Y54-F56 VanDerWaalsContact C-N 3.25Å; Y54-F56 HydrophobicContact CD1-CE1 4.45Å; Y54-F56 AromaticContact CD1-CZ 3.98Å; Y54-F56 HydrophobicContact CD1-CZ 3.98Å; Y54-F56 PolarHBondContact O-N 3.32Å; F56-N58 VanDerWaalsContact C-N 3.32Å; F56-T60 PolarHBondContact O-N 2.84Å; F56-T60 PolarHBondContact O-OG1 3.41Å; F56-W245 AromaticContact CD2-CD1 3.95Å; F56-W245 HydrophobicContact CD2-CD2 4.42Å; F56-W245 AromaticContact CD2-CE2 3.61Å; F56-W245 AromaticContact CD2-CZ2 3.96Å; F56-W245 HydrophobicContact CD2-CZ2 3.96Å; F56-W245 AromaticContact CD2-NE1 3.29Å; F56-W245 VanDerWaalsContact CD2-NE1 3.29Å; F56-W245 AromaticContact CE2-CD1 3.27Å; F56-W245 AromaticContact CE2-CD2 3.85Å; F56-W245 HydrophobicContact CE2-CD2 3.85Å; F56-W245 AromaticContact CE2-CE2 3.48Å; F56-W245 VanDerWaalsContact CE2-CE2 3.48Å; F56-W245 AromaticContact CE2-CG 3.68Å; F56-W245 HydrophobicContact CE2-CG 3.68Å; F56-W245 HydrophobicContact CE2-CZ2 4.22Å; F56-W245 AromaticContact CE2-NE1 3.1Å |
| 57 | V | 73.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.1 | -42.9 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 109 | Y54 D55 T60 L61 Y243 W245 L287 | Y54-V57 HydrophobicContact CD1-CG2 3.79Å; Y54-V57 WeakPolarHBondContact O-CB 3.34Å; Y54-V57 PolarHBondContact O-N 3.39Å; D55-V57 PolarHBondContact O-N 3.16Å; V57-T60 PolarHBondContact O-N 3.4Å; V57-L61 HydrophobicContact CG1-CD1 3.62Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.42Å; V57-Y243 HydrophobicContact CG1-CE2 3.93Å; V57-W245 HydrophobicContact CB-CH2 4.35Å; V57-W245 HydrophobicContact CB-CZ3 4.31Å; V57-W245 HydrophobicContact CG1-CE3 4.11Å; V57-W245 HydrophobicContact CG1-CH2 4.15Å; V57-W245 HydrophobicContact CG1-CZ3 3.76Å; V57-W245 HydrophobicContact CG2-CD2 3.93Å; V57-W245 HydrophobicContact CG2-CE3 3.98Å; V57-W245 HydrophobicContact CG2-CG 4.43Å; V57-W245 HydrophobicContact CG2-CH2 4.46Å; V57-W245 HydrophobicContact CG2-CZ2 4.42Å; V57-W245 HydrophobicContact CG2-CZ3 4.26Å; V57-L287 HydrophobicContact CG1-CD2 3.41Å; V57-L287 VanDerWaalsContact CG1-CD2 3.41Å |
| 58 | N | 70.9 | Confident | 71 | Confident | 12 Ų | 12 | 80.4 Ų | 80.4 | 6% | 0.064 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -63.7 | -44.7 | -179.6 | -56.6 | -27.7 | 0 | 0 | 0 | 110.3 | D55 F56 T60 S62 N290 K291 | D55-N58 WeakPolarHBondContact O-CB 3.25Å; D55-N58 PolarHBondContact O-N 3.37Å; F56-N58 VanDerWaalsContact C-N 3.32Å; N58-T60 VanDerWaalsContact C-N 3.32Å; N58-T60 PolarHBondContact O-N 3.24Å; N58-S62 VanDerWaalsContact O-CB 3.3Å; N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 2.92Å; N58-N290 PolarHBondContact ND2-ND2 3.33Å; N58-N290 VanDerWaalsContact ND2-ND2 3.14Å; N58-N290 PolarHBondContact OD1-ND2 2.94Å; N58-N290 VanDerWaalsContact OD1-ND2 3.08Å; N58-K291 HydrophobicContact CB-CG 4.41Å; N58-K291 WeakPolarHBondContact ND2-CA 3Å |
| 59 | D | 74.9 | Confident | 69.9 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 67% | 0.668 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.8 | -39.9 | -179.1 | -68.5 | -24.4 | 0 | 0 | 0 | 112.5 | D55 | D55-D59 PolarHBondContact O-N 2.74Å |
| 60 | T | 76.6 | Confident | 69.1 | Low | 81 Ų | 81 | 78.1 Ų | 78.1 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -77.8 | -35.3 | -176.3 | -54.2 | 0 | 0 | 0 | 0 | 112.4 | F56 V57 N58 S62 W245 | F56-T60 PolarHBondContact O-N 2.84Å; F56-T60 PolarHBondContact O-OG1 3.41Å; V57-T60 PolarHBondContact O-N 3.4Å; N58-T60 VanDerWaalsContact C-N 3.32Å; N58-T60 PolarHBondContact O-N 3.24Å; T60-S62 VanDerWaalsContact C-N 3.34Å; T60-W245 HydrophobicContact CG2-CH2 3.73Å; T60-W245 HydrophobicContact CG2-CZ2 3.91Å |
| 61 | L | 80.1 | Confident | 69.2 | Low | 26 Ų | 26 | 85.5 Ų | 85.5 | 14% | 0.136 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -85.8 | -6.3 | 177.1 | -64.2 | 179 | 0 | 0 | 0 | 113.1 | V57 Y243 W245 L274 N275 L287 | V57-L61 HydrophobicContact CG1-CD1 3.62Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.38Å; V57-L61 PolarHBondContact O-N 3.42Å; L61-Y243 HydrophobicContact CD1-CD2 4.35Å; L61-Y243 HydrophobicContact CD1-CE2 4.36Å; L61-W245 HydrophobicContact CD1-CZ3 4.2Å; L61-W245 HydrophobicContact CD2-CZ3 4.33Å; L61-W245 HydrophobicContact CG-CH2 4.19Å; L61-W245 HydrophobicContact CG-CZ3 4.09Å; L61-L274 HydrophobicContact CB-CD2 4.3Å; L61-N275 WeakPolarHBondContact O-CB 3.2Å; L61-N275 PolarHBondContact O-N 2.93Å; L61-L287 HydrophobicContact CD1-CD1 3.64Å; L61-L287 HydrophobicContact CD1-CD2 3.99Å; L61-L287 HydrophobicContact CD1-CG 4.42Å |
| 62 | S | 80.7 | Confident | 69.9 | Low | 32 Ų | 32 | 86.6 Ų | 86.6 | 22% | 0.224 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -68.4 | 138.4 | 177.3 | -72.1 | 0 | 0 | 0 | 0 | 111.3 | N58 T60 K64 T273 K291 | N58-S62 VanDerWaalsContact O-CB 3.3Å; N58-S62 WeakPolarHBondContact O-CB 3.48Å; N58-S62 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-OG 2.92Å; T60-S62 VanDerWaalsContact C-N 3.34Å; S62-K64 PolarHBondContact O-N 3Å; S62-T273 WeakPolarHBondContact CA-O 3.38Å; S62-K291 PolarHBondContact OG-NZ 3.07Å |
| 63 | L | 78.8 | Confident | 71.3 | Confident | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 46% | 0.462 | S | S | . | . | trans | -70.4 | 118.4 | 176.4 | -64.7 | 172.5 | 0 | 0 | 0 | 109.5 | H65 T273 N275 | L63-H65 PolarHBondContact O-N 3.33Å; L63-T273 PolarHBondContact N-O 3.36Å; L63-N275 HydrophobicContact CD2-CB 3.99Å | ||
| 64 | K | 64.3 | Low | 72.5 | Confident | 201 Ų | 201 | 86.1 Ų | 86.1 | 87% | 0.874 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -67.8 | -21.4 | 178.6 | -68.6 | -175.3 | 178.5 | 180 | 0 | 113.4 | S62 | S62-K64 PolarHBondContact O-N 3Š|
| 65 | H | 57.7 | Low | 73.3 | Confident | 151 Ų | 151 | 89.2 Ų | 89.2 | 70% | 0.699 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -133.8 | 139.1 | 174.8 | -69.6 | -68 | 0 | 0 | 0 | 109 | L63 S67 | L63-H65 PolarHBondContact O-N 3.33Å; H65-S67 PolarHBondContact O-N 3.46Å |
| 66 | T | 51.8 | Low | 74.3 | Confident | 149 Ų | 149 | 85.6 Ų | 85.6 | 91% | 0.914 | 45% | 0.452 | S | S | * | . | trans | -68.4 | 52.3 | 167.8 | 21.2 | 0 | 0 | 0 | 0 | 110.8 | A68 | T66-A68 VanDerWaalsContact C-N 3.27Å; T66-A68 PolarHBondContact O-N 2.81Å | ||
| 67 | S | 48.5 | Very low | 75.5 | Confident | 81 Ų | 81 | 84.5 Ų | 84.5 | 57% | 0.566 | 45% | 0.449 | S | S | * | . | trans | -70.1 | 97.7 | 156.9 | 52.2 | 0 | 0 | 0 | 0 | 105.4 | H65 G69 | H65-S67 PolarHBondContact O-N 3.46Å; S67-G69 PolarHBondContact O-N 2.95Å | ||
| 68 | A | 55.2 | Low | 76.5 | Confident | 70 Ų | 70 | 85.6 Ų | 85.6 | 58% | 0.579 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 118.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | T66 | T66-A68 VanDerWaalsContact C-N 3.27Å; T66-A68 PolarHBondContact O-N 2.81Å |
| 69 | G | 57.7 | Low | 77.6 | Confident | 46 Ų | 46 | 91.3 Ų | 91.3 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 174 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S67 R71 | S67-G69 PolarHBondContact O-N 2.95Å; G69-R71 PolarHBondContact O-N 3.25Å |
| 70 | P | 63.3 | Low | 78.5 | Confident | 91 Ų | 91 | 89.6 Ų | 89.6 | 59% | 0.591 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 117.4 | 178.3 | 20.7 | -31 | 0 | 0 | 0 | 110.1 | Y72 | P70-Y72 HydrophobicContact CB-CE1 4.48Å; P70-Y72 HydrophobicContact CB-CE2 3.94Å; P70-Y72 HydrophobicContact CG-CE2 3.76Å; P70-Y72 WeakPolarHBondContact O-CD2 3.21Å; P70-Y72 PolarHBondContact O-N 3.2Å |
| 71 | R | 80.1 | Confident | 79.4 | Confident | 220 Ų | 220 | 88 Ų | 88 | 83% | 0.83 | 45% | 0.452 | S | S | * | . | trans | -81.9 | 98 | 177 | -74 | -173.2 | -179.3 | 176.7 | 0.5 | 108.1 | G69 | G69-R71 PolarHBondContact O-N 3.25Š| ||
| 72 | Y | 90.8 | Very high | 80 | Confident | 77 Ų | 77 | 86.9 Ų | 86.9 | 30% | 0.302 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 128.9 | 173 | -62 | -72.1 | 0 | 0 | 0 | 110.2 | P70 D159 F160 L169 | P70-Y72 HydrophobicContact CB-CE1 4.48Å; P70-Y72 HydrophobicContact CB-CE2 3.94Å; P70-Y72 HydrophobicContact CG-CE2 3.76Å; P70-Y72 WeakPolarHBondContact O-CD2 3.21Å; P70-Y72 PolarHBondContact O-N 3.2Å; Y72-D159 WeakPolarHBondContact CD1-O 3.18Å; Y72-D159 WeakPolarHBondContact CE1-O 3.3Å; Y72-F160 HydrophobicContact CD1-CB 3.78Å; Y72-F160 HydrophobicContact CD2-CB 4.42Å; Y72-F160 HydrophobicContact CD2-CD1 4.41Å; Y72-F160 HydrophobicContact CE1-CB 3.64Å; Y72-F160 HydrophobicContact CE2-CB 4.34Å; Y72-F160 HydrophobicContact CG-CB 4.14Å; Y72-F160 HydrophobicContact CG-CD1 4.26Å; Y72-L169 HydrophobicContact CD2-CD1 4.43Å; Y72-L169 HydrophobicContact CD2-CD2 4.42Å; Y72-L169 HydrophobicContact CE2-CD1 3.56Å; Y72-L169 HydrophobicContact CE2-CD2 3.76Å; Y72-L169 HydrophobicContact CE2-CG 4.21Å |
| 73 | Q | 94.1 | Very high | 80.3 | Confident | 151 Ų | 151 | 92.2 Ų | 92.2 | 71% | 0.706 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 146.7 | 177.4 | -61.6 | -174.2 | 11.8 | 0 | 0 | 109.8 | L75 Q158 D159 | Q73-L75 PolarHBondContact O-N 3.05Å; Q73-Q158 VanDerWaalsContact O-CA 3.3Å; Q73-Q158 WeakPolarHBondContact O-CA 3.46Å; Q73-D159 PolarHBondContact O-N 3.18Å |
| 74 | Y | 96.1 | Very high | 80.2 | Confident | 56 Ų | 56 | 90.9 Ų | 90.9 | 22% | 0.22 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 121 | 169.1 | -72.8 | -83.6 | 0 | 0 | 0 | 109.4 | N77 Q157 Q158 M173 W177 Y181 | Y74-N77 HydrophobicContact CD1-CB 4.39Å; Y74-N77 HydrophobicContact CG-CB 4.24Å; Y74-Q157 CarbonylContact C-O 3.4Å; Y74-Q157 WeakPolarHBondContact CA-O 3.08Å; Y74-Q158 HydrophobicContact CD1-CG 3.56Å; Y74-Q158 HydrophobicContact CD2-CG 4.41Å; Y74-Q158 HydrophobicContact CE1-CG 3.69Å; Y74-Q158 VanDerWaalsContact CE2-NE2 3.27Å; Y74-Q158 HydrophobicContact CG-CG 3.95Å; Y74-Q158 PolarHBondContact OH-NE2 3.3Å; Y74-M173 HydrophobicContact CE1-CG 3.78Å; Y74-M173 HydrophobicContact CE1-SD 4.23Å; Y74-M173 PolarHBondContact OH-O 3.02Å; Y74-W177 AromaticContact CE1-CD1 3.87Å; Y74-Y181 HydrophobicContact CE2-CE2 4.43Å |
| 75 | L | 96.6 | Very high | 80.8 | Confident | 86 Ų | 86 | 89.9 Ų | 89.9 | 45% | 0.45 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -36.9 | 171.6 | -58.3 | 178.7 | 0 | 0 | 0 | 110.7 | Q73 T132 Q157 D159 | Q73-L75 PolarHBondContact O-N 3.05Å; L75-T132 HydrophobicContact CD1-CG2 3.43Å; L75-T132 VanDerWaalsContact CD1-CG2 3.43Å; L75-Q157 HydrophobicContact CB-CB 4.5Å; L75-Q157 HydrophobicContact CD1-CG 4.48Å; L75-Q157 PolarHBondContact N-O 3.24Å; L75-D159 HydrophobicContact CD1-CB 4.18Å; L75-D159 HydrophobicContact CD2-CB 4.21Å; L75-D159 HydrophobicContact CG-CB 4.15Å |
| 76 | I | 97.6 | Very high | 82.3 | Confident | 17 Ų | 17 | 87.5 Ų | 87.5 | 9% | 0.087 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.2 | 173.8 | -51.1 | 177.5 | 0 | 0 | 0 | 106.9 | V146 D149 V155 I156 Q157 | I76-V146 HydrophobicContact CD1-CG2 4.39Å; I76-D149 HydrophobicContact CD1-CB 4.19Å; I76-D149 HydrophobicContact CG2-CB 4.5Å; I76-D149 VanDerWaalsContact CG2-CG 3.5Å; I76-D149 WeakPolarHBondContact CG2-OD2 3.45Å; I76-V155 HydrophobicContact CB-CG1 4.48Å; I76-V155 HydrophobicContact CD1-CG1 4.1Å; I76-V155 HydrophobicContact CG2-CB 4.48Å; I76-V155 HydrophobicContact CG2-CG1 4.36Å; I76-V155 WeakPolarHBondContact CG2-O 3.41Å; I76-I156 WeakPolarHBondContact O-CA 3.39Å; I76-Q157 HydrophobicContact CB-CB 4Å; I76-Q157 HydrophobicContact CD1-CB 4.35Å; I76-Q157 HydrophobicContact CG1-CB 4.16Å; I76-Q157 PolarHBondContact N-O 3.05Å; I76-Q157 PolarHBondContact O-N 3.41Å |
| 77 | N | 95.7 | Very high | 84.5 | Confident | 32 Ų | 32 | 80.4 Ų | 80.4 | 17% | 0.171 | 41% | 0.414 | C | S | . | . | trans | -135.3 | -43.2 | -167.7 | -164.3 | -1.8 | 0 | 0 | 0 | 115.3 | Y74 K79 I156 W177 Y181 | Y74-N77 HydrophobicContact CD1-CB 4.39Å; Y74-N77 HydrophobicContact CG-CB 4.24Å; N77-K79 VanDerWaalsContact C-N 3.34Å; N77-K79 PolarHBondContact O-N 2.99Å; N77-I156 WeakPolarHBondContact O-CG2 3.19Å; N77-W177 PolarHBondContact O-NE1 3.01Å; N77-W177 PolarHBondContact OD1-NE1 2.87Å; N77-Y181 PolarHBondContact ND2-OH 3.23Å; N77-Y181 VanDerWaalsContact ND2-OH 3.08Å; N77-Y181 WeakPolarHBondContact OD1-CE2 3.36Å | ||
| 78 | H | 95.7 | Very high | 86.9 | Confident | 23 Ų | 23 | 76.8 Ų | 76.8 | 11% | 0.106 | 39% | 0.389 | C | S | . | . | trans | 46.4 | 51.8 | -174.5 | -61.5 | -59.1 | 0 | 0 | 0 | 113.9 | E80 K81 D149 N153 V155 | H78-E80 IonicContact ND1-OE1 2.7Å; H78-E80 PolarHBondContact O-N 3.22Å; H78-K81 HydrophobicContact CB-CB 4.24Å; H78-K81 VanDerWaalsContact O-CB 3.24Å; H78-K81 WeakPolarHBondContact O-CB 3.42Å; H78-K81 PolarHBondContact O-N 2.05Å; H78-D149 IonicContact CD2-OD1 3.97Å; H78-D149 PolarHBondContact CD2-OD1 3.26Å; H78-D149 IonicContact CE1-OD1 3.91Å; H78-D149 IonicContact CE1-OD2 2.66Å; H78-D149 PolarHBondContact CE1-OD2 3.08Å; H78-D149 IonicContact NE2-OD1 3.69Å; H78-D149 PolarHBondContact NE2-OD1 2.84Å; H78-D149 IonicContact NE2-OD2 3.72Å; H78-D149 PolarHBondContact NE2-OD2 3.16Å; H78-N153 PolarHBondContact CE1-OD1 3.26Å; H78-V155 PolarHBondContact CD2-O 2.91Å | ||
| 79 | K | 94.1 | Very high | 89 | Confident | 133 Ų | 133 | 73.5 Ų | 73.5 | 58% | 0.578 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -23 | -178.4 | 60.4 | 177.3 | 174.7 | 179.7 | 0 | 113.7 | N77 Y181 | N77-K79 VanDerWaalsContact C-N 3.34Å; N77-K79 PolarHBondContact O-N 2.99Å; K79-Y181 HydrophobicContact CB-CD1 3.63Å; K79-Y181 HydrophobicContact CB-CE1 3.66Å; K79-Y181 HydrophobicContact CB-CG 4.24Å |
| 80 | E | 93.9 | Very high | 90.9 | Very high | 88 Ų | 88 | 71.3 Ų | 71.3 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -15.4 | 179.7 | 65.4 | -75.5 | 173.7 | 0 | 0 | 114.3 | H78 C82 Q83 | H78-E80 IonicContact ND1-OE1 2.7Å; H78-E80 PolarHBondContact O-N 3.22Å; E80-C82 PolarHBondContact O-N 3.21Å; E80-C82 VanDerWaalsContact O-N 3.11Å; E80-Q83 HydrophobicContact CB-CG 4.34Å; E80-Q83 WeakPolarHBondContact O-CB 3.34Å; E80-Q83 WeakPolarHBondContact O-CG 3.33Å; E80-Q83 PolarHBondContact O-N 2.84Å |
| 81 | K | 93.8 | Very high | 92.6 | Very high | 49 Ų | 49 | 67 Ų | 67 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -35.5 | -175.3 | -172.9 | 73.6 | 169 | -160.7 | 0 | 112.9 | H78 E113 K125 L127 N153 W177 | H78-K81 HydrophobicContact CB-CB 4.24Å; H78-K81 VanDerWaalsContact O-CB 3.24Å; H78-K81 WeakPolarHBondContact O-CB 3.42Å; H78-K81 PolarHBondContact O-N 2.05Å; K81-E113 VanDerWaalsContact CE-OE1 3.25Å; K81-E113 WeakPolarHBondContact CE-OE1 3.42Å; K81-E113 IonicContact NZ-OE1 2.75Å; K81-K125 HydrophobicContact CG-CD 4.27Å; K81-K125 VanDerWaalsContact O-CD 3.31Å; K81-K125 WeakPolarHBondContact O-CD 3.31Å; K81-K125 WeakPolarHBondContact O-CE 3.39Å; K81-L127 HydrophobicContact CG-CD2 3.96Å; K81-L127 HydrophobicContact CG-CG 4.49Å; K81-N153 PolarHBondContact NZ-O 3.17Å; K81-W177 HydrophobicContact CB-CH2 4.36Å; K81-W177 HydrophobicContact CB-CZ2 4.43Å |
| 82 | C | 93.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 31.5 | 179.9 | -170 | 0 | 0 | 0 | 0 | 113.5 | E80 A84 W177 C182 H184 | E80-C82 PolarHBondContact O-N 3.21Å; E80-C82 VanDerWaalsContact O-N 3.11Å; C82-A84 VanDerWaalsContact C-N 3.28Å; C82-A84 PolarHBondContact O-N 3.09Å; C82-W177 HydrophobicContact CB-CH2 3.83Å; C82-W177 HydrophobicContact CB-CZ3 4.14Å; C82-C182 HydrophobicContact CB-CB 3.52Å; C82-C182 WeakPolarHBondContact CB-SG 3.43Å; C82-C182 VanDerWaalsContact SG-CA 3.5Å; C82-C182 WeakPolarHBondContact SG-CB 3.45Å; C82-C182 CovalentContact SG-SG 2.02Å; C82-C182 PolarHBondContact SG-SG 3.06Å; C82-H184 PolarHBondContact O-CE1 3.23Å; C82-H184 PolarHBondContact O-NE2 3.4Å; C82-H184 VanDerWaalsContact SG-CE1 3.52Å; C82-H184 PolarHBondContact SG-NE2 2.97Å; C82-H184 VanDerWaalsContact SG-NE2 3.36Å |
| 83 | Q | 86.7 | Confident | 93.9 | Very high | 144 Ų | 144 | 52.9 Ų | 52.9 | 67% | 0.673 | 26% | 0.257 | S | S | * | . | trans | -73.5 | -15.9 | 175.6 | -77.6 | 176.2 | 1.3 | 0 | 0 | 114.5 | E80 Q85 | E80-Q83 HydrophobicContact CB-CG 4.34Å; E80-Q83 WeakPolarHBondContact O-CB 3.34Å; E80-Q83 WeakPolarHBondContact O-CG 3.33Å; E80-Q83 PolarHBondContact O-N 2.84Å; Q83-Q85 PolarHBondContact O-N 3.38Å | ||
| 84 | A | 76.6 | Confident | 94.1 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 36% | 0.355 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -72.2 | 125.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.6 | C82 D86 V87 H184 | C82-A84 VanDerWaalsContact C-N 3.28Å; C82-A84 PolarHBondContact O-N 3.09Å; A84-D86 VanDerWaalsContact C-N 3.28Å; A84-D86 PolarHBondContact O-N 3.39Å; A84-V87 WeakPolarHBondContact O-CG2 3.28Å; A84-H184 PolarHBondContact O-NE2 3.24Å |
| 85 | Q | 76.3 | Confident | 94.2 | Very high | 180 Ų | 180 | 43.6 Ų | 43.6 | 84% | 0.841 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -72.2 | -13.7 | -170.2 | -68 | -173.3 | -11.3 | 0 | 0 | 115.7 | Q83 H184 | Q83-Q85 PolarHBondContact O-N 3.38Å; Q85-H184 PolarHBondContact O-CD2 2.84Å |
| 86 | D | 90.6 | Very high | 94.2 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | trans | -113.9 | 77.4 | -176.5 | -174.4 | 27.1 | 0 | 0 | 0 | 110.2 | A84 N123 | A84-D86 VanDerWaalsContact C-N 3.28Å; A84-D86 PolarHBondContact O-N 3.39Å; D86-N123 WeakPolarHBondContact O-CB 3.42Å; D86-N123 PolarHBondContact O-ND2 2.92Å | ||
| 87 | V | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -106 | 110.5 | 176.9 | 175.3 | 0 | 0 | 0 | 0 | 108.9 | A84 K125 A185 K186 | A84-V87 WeakPolarHBondContact O-CG2 3.28Å; V87-K125 HydrophobicContact CG1-CG 4.25Å; V87-K125 HydrophobicContact CG2-CG 4.09Å; V87-A185 HydrophobicContact CB-CB 4.33Å; V87-A185 HydrophobicContact CG1-CB 4.02Å; V87-A185 WeakPolarHBondContact O-CA 3.5Å; V87-K186 PolarHBondContact O-N 3.21Å | ||
| 88 | L | 98.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -68.2 | -46.3 | 175.1 | 178.5 | 65.2 | 0 | 0 | 0 | 110.5 | A122 N123 K186 F187 I203 L206 Q207 E210 | L88-A122 HydrophobicContact CD2-CB 3.73Å; L88-N123 PolarHBondContact N-O 3.33Å; L88-K186 HydrophobicContact CD1-CB 4.4Å; L88-K186 WeakPolarHBondContact O-CB 3.36Å; L88-F187 HydrophobicContact CD1-CD2 3.99Å; L88-F187 HydrophobicContact CD1-CE2 4.04Å; L88-F187 WeakPolarHBondContact O-CD2 3.46Å; L88-F187 PolarHBondContact O-N 2.87Å; L88-I203 HydrophobicContact CD2-CD1 4.14Å; L88-I203 HydrophobicContact CD2-CG2 4.14Å; L88-L206 HydrophobicContact CD1-CB 4.39Å; L88-L206 HydrophobicContact CD2-CB 4.35Å; L88-L206 HydrophobicContact CG-CB 4.46Å; L88-Q207 HydrophobicContact CD2-CG 3.74Å; L88-E210 HydrophobicContact CD1-CB 4.34Å; L88-E210 WeakPolarHBondContact CD1-OE2 3.42Å |
| 89 | L | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 121.6 | -174.2 | -179.1 | 64.1 | 0 | 0 | 0 | 111.8 | L91 I124 K125 F187 M189 M199 L202 I203 L206 | L89-L91 HydrophobicContact CD2-CB 4.48Å; L89-L91 HydrophobicContact CG-CB 4.41Å; L89-I124 HydrophobicContact CB-CB 4.21Å; L89-I124 HydrophobicContact CB-CG2 3.73Å; L89-I124 HydrophobicContact CD2-CG2 4.49Å; L89-I124 CarbonylContact O-C 3.46Å; L89-I124 WeakPolarHBondContact O-CA 3.48Å; L89-I124 WeakPolarHBondContact O-CB 3.31Å; L89-K125 PolarHBondContact O-N 3.49Å; L89-F187 WeakPolarHBondContact CA-O 3.33Å; L89-F187 HydrophobicContact CD1-CB 3.97Å; L89-M189 HydrophobicContact CD1-CB 3.7Å; L89-M199 HydrophobicContact CD2-SD 4.45Å; L89-L202 HydrophobicContact CD2-CD2 4.05Å; L89-I203 HydrophobicContact CD2-CD1 4.49Å; L89-L206 HydrophobicContact CB-CD1 4.32Å; L89-L206 HydrophobicContact CD1-CD1 3.91Å; L89-L206 HydrophobicContact CD2-CD1 4.13Å; L89-L206 HydrophobicContact CG-CD1 4.36Å |
| 90 | L | 98.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 112.7 | 161.6 | -179.6 | 63.8 | 0 | 0 | 0 | 108.8 | F92 K125 L127 W177 A178 C182 A185 F187 L188 M189 | L90-F92 HydrophobicContact CD1-CZ 4.39Å; L90-F92 HydrophobicContact CD2-CD2 4.47Å; L90-F92 HydrophobicContact CD2-CE2 3.55Å; L90-F92 HydrophobicContact CD2-CZ 3.77Å; L90-F92 HydrophobicContact CG-CD2 4.37Å; L90-F92 HydrophobicContact CG-CE2 3.86Å; L90-F92 HydrophobicContact CG-CZ 4.12Å; L90-K125 HydrophobicContact CD1-CB 3.87Å; L90-L127 HydrophobicContact CD1-CD1 4.2Å; L90-W177 HydrophobicContact CD1-CZ3 3.89Å; L90-W177 HydrophobicContact CD2-CE3 4.19Å; L90-W177 HydrophobicContact CD2-CZ3 4.08Å; L90-A178 HydrophobicContact CD2-CB 3.67Å; L90-C182 HydrophobicContact CD2-CB 3.87Å; L90-A185 HydrophobicContact CB-CB 3.96Å; L90-F187 PolarHBondContact N-O 2.82Å; L90-L188 HydrophobicContact CD2-CD1 4.42Å; L90-L188 CarbonylContact O-C 3.6Å; L90-L188 WeakPolarHBondContact O-CA 3.42Å; L90-M189 PolarHBondContact O-N 2.98Å |
| 91 | L | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 110.9 | -176.4 | 176.3 | 56.9 | 0 | 0 | 0 | 110.3 | L89 V93 W110 K125 T126 L127 M189 I197 M199 | L89-L91 HydrophobicContact CD2-CB 4.48Å; L89-L91 HydrophobicContact CG-CB 4.41Å; L91-V93 HydrophobicContact CG-CG2 4.38Å; L91-W110 HydrophobicContact CD2-CE3 3.98Å; L91-W110 HydrophobicContact CD2-CZ3 3.69Å; L91-W110 HydrophobicContact CG-CZ3 4.42Å; L91-K125 PolarHBondContact N-O 3.45Å; L91-T126 HydrophobicContact CD2-CG2 4.44Å; L91-T126 WeakPolarHBondContact O-CA 3.18Å; L91-L127 PolarHBondContact O-N 3.45Å; L91-M189 WeakPolarHBondContact CA-O 3.42Å; L91-M189 HydrophobicContact CD1-CB 3.85Å; L91-M189 HydrophobicContact CD1-CG 3.68Å; L91-M189 HydrophobicContact CD1-SD 3.95Å; L91-I197 HydrophobicContact CD1-CD1 4.09Å; L91-I197 HydrophobicContact CD2-CD1 4.4Å; L91-M199 HydrophobicContact CD2-CE 3.88Å |
| 92 | F | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.4 | 168.6 | -68.5 | -69.2 | 0 | 0 | 0 | 111.7 | L90 L127 I156 Q174 W177 A178 L188 M189 T190 A191 | L90-F92 HydrophobicContact CD1-CZ 4.39Å; L90-F92 HydrophobicContact CD2-CD2 4.47Å; L90-F92 HydrophobicContact CD2-CE2 3.55Å; L90-F92 HydrophobicContact CD2-CZ 3.77Å; L90-F92 HydrophobicContact CG-CD2 4.37Å; L90-F92 HydrophobicContact CG-CE2 3.86Å; L90-F92 HydrophobicContact CG-CZ 4.12Å; F92-L127 CarbonylContact C-O 3.46Å; F92-L127 WeakPolarHBondContact CA-O 3.03Å; F92-L127 HydrophobicContact CD1-CB 3.72Å; F92-L127 HydrophobicContact CD1-CD1 4.44Å; F92-L127 HydrophobicContact CE1-CB 3.81Å; F92-L127 HydrophobicContact CE1-CD1 3.69Å; F92-L127 HydrophobicContact CE1-CG 4.41Å; F92-L127 HydrophobicContact CZ-CD1 4.37Å; F92-I156 HydrophobicContact CD1-CD1 3.98Å; F92-I156 HydrophobicContact CE1-CD1 3.49Å; F92-I156 VanDerWaalsContact CE1-CD1 3.49Å; F92-I156 HydrophobicContact CZ-CD1 4.4Å; F92-Q174 HydrophobicContact CB-CG 3.9Å; F92-Q174 VanDerWaalsContact CB-NE2 3.25Å; F92-Q174 HydrophobicContact CD1-CB 4.48Å; F92-Q174 HydrophobicContact CD1-CG 4.07Å; F92-Q174 HydrophobicContact CD2-CB 3.75Å; F92-Q174 HydrophobicContact CD2-CG 4.02Å; F92-Q174 HydrophobicContact CE2-CB 3.95Å; F92-Q174 WeakPolarHBondContact CE2-O 3.4Å; F92-Q174 HydrophobicContact CG-CB 4.01Å; F92-Q174 HydrophobicContact CG-CG 3.74Å; F92-Q174 HydrophobicContact CZ-CB 4.4Å; F92-W177 HydrophobicContact CE1-CD2 4.42Å; F92-W177 HydrophobicContact CE1-CE3 4.19Å; F92-W177 HydrophobicContact CZ-CB 4.17Å; F92-W177 HydrophobicContact CZ-CD2 4.18Å; F92-W177 AromaticContact CZ-CE3 3.67Å; F92-W177 HydrophobicContact CZ-CE3 3.67Å; F92-W177 HydrophobicContact CZ-CG 4.41Å; F92-W177 HydrophobicContact CZ-CZ3 4.44Å; F92-A178 HydrophobicContact CE2-CB 4.15Å; F92-L188 HydrophobicContact CD2-CD1 4.17Å; F92-L188 HydrophobicContact CD2-CG 4.28Å; F92-L188 HydrophobicContact CE2-CD1 3.92Å; F92-L188 HydrophobicContact CE2-CG 4.45Å; F92-M189 PolarHBondContact N-O 2.71Å; F92-T190 CarbonylContact O-C 2.98Å; F92-T190 WeakPolarHBondContact O-CA 3.37Å; F92-A191 PolarHBondContact O-N 2.78Å |
| 93 | V | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 113.3 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | L91 T95 I106 W110 T126 L127 F128 A129 A191 D193 | L91-V93 HydrophobicContact CG-CG2 4.38Å; V93-T95 PolarHBondContact O-N 2.58Å; V93-I106 HydrophobicContact CG1-CD1 3.82Å; V93-W110 HydrophobicContact CG1-CH2 4.28Å; V93-W110 HydrophobicContact CG2-CH2 3.63Å; V93-W110 HydrophobicContact CG2-CZ3 3.77Å; V93-T126 HydrophobicContact CG2-CG2 4.32Å; V93-L127 PolarHBondContact N-O 2.86Å; V93-F128 HydrophobicContact CB-CD1 3.64Å; V93-F128 HydrophobicContact CB-CE1 3.92Å; V93-F128 HydrophobicContact CG1-CD1 3.85Å; V93-F128 HydrophobicContact CG1-CE1 3.94Å; V93-F128 HydrophobicContact CG2-CD1 4.28Å; V93-F128 HydrophobicContact CG2-CE1 4.13Å; V93-A129 PolarHBondContact O-N 3.42Å; V93-A191 CarbonylContact C-O 3.53Å; V93-A191 WeakPolarHBondContact CA-O 3.38Å; V93-D193 HydrophobicContact CG1-CB 3.98Å |
| 94 | K | 98.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 118 | 172.3 | -68.8 | -177.1 | -78.6 | 154.3 | 0 | 108.6 | K170 Q174 A191 D192 D193 G254 D281 | K94-K170 HydrophobicContact CB-CD 4.1Å; K94-K170 HydrophobicContact CD-CD 4.46Å; K94-K170 HydrophobicContact CG-CD 3.94Å; K94-K170 HydrophobicContact CG-CG 4.37Å; K94-Q174 VanDerWaalsContact CG-NE2 3.34Å; K94-A191 PolarHBondContact N-O 3.39Å; K94-D192 WeakPolarHBondContact CE-OD1 3.43Å; K94-D192 IonicContact NZ-OD1 3.68Å; K94-D192 PolarHBondContact NZ-OD1 3.14Å; K94-D192 IonicContact NZ-OD2 3.11Å; K94-D193 PolarHBondContact O-N 3Å; K94-D193 VanDerWaalsContact O-N 3.11Å; K94-G254 PolarHBondContact NZ-O 3.02Å; K94-D281 IonicContact NZ-OD2 2.74Å; K94-D281 PolarHBondContact NZ-OD2 2.79Å |
| 95 | T | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | trans | -146.2 | 156.5 | -178.3 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | V93 N99 R103 F128 A129 L130 K170 D193 | V93-T95 PolarHBondContact O-N 2.58Å; T95-N99 WeakPolarHBondContact OG1-CB 3.34Å; T95-R103 HydrophobicContact CG2-CG 3.88Å; T95-F128 HydrophobicContact CG2-CB 3.95Å; T95-F128 HydrophobicContact CG2-CD1 4.05Å; T95-F128 HydrophobicContact CG2-CG 4.43Å; T95-A129 PolarHBondContact N-O 2.86Å; T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CD2 4Å; T95-L130 HydrophobicContact CG2-CG 3.79Å; T95-K170 PolarHBondContact O-NZ 3.14Å; T95-D193 WeakPolarHBondContact CA-OD2 3.25Å; T95-D193 VanDerWaalsContact CB-OD2 3.23Å; T95-D193 WeakPolarHBondContact CB-OD2 3.24Å; T95-D193 PolarHBondContact OG1-OD2 3.23Å | ||
| 96 | A | 96.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 29 Ų | 29 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | trans | -95 | 152.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E98 N99 R103 | A96-E98 VanDerWaalsContact CB-CD 3.45Å; A96-E98 HydrophobicContact CB-CG 4.32Å; A96-E98 WeakPolarHBondContact CB-OE1 3.06Å; A96-E98 WeakPolarHBondContact CB-OE2 3.47Å; A96-E98 PolarHBondContact O-N 3.01Å; A96-E98 VanDerWaalsContact O-N 3.12Å; A96-N99 WeakPolarHBondContact O-CB 3.19Å; A96-N99 PolarHBondContact O-N 3.37Å; A96-R103 PolarHBondContact O-NH1 3.08Å | ||
| 97 | P | 96.4 | Very high | 98 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -37.4 | -176.1 | -29.6 | 37.5 | 0 | 0 | 0 | 114.1 | N99 R103 L130 P133 L141 D162 | P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.14Å; P97-R103 PolarHBondContact O-NH1 3.15Å; P97-R103 PolarHBondContact O-NH2 3.41Å; P97-L130 HydrophobicContact CB-CD2 4.29Å; P97-L130 HydrophobicContact CG-CD2 4.09Å; P97-P133 HydrophobicContact CB-CG 3.85Å; P97-P133 HydrophobicContact CG-CG 4.03Å; P97-L141 HydrophobicContact CB-CD1 4.45Å; P97-L141 HydrophobicContact CB-CD2 3.76Å; P97-L141 HydrophobicContact CB-CG 3.86Å; P97-D162 HydrophobicContact CG-CB 4.27Å |
| 98 | E | 95.4 | Very high | 98 | Very high | 118 Ų | 118 | 31.6 Ų | 31.6 | 55% | 0.551 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.7 | 178.8 | 62.8 | -88.9 | -154.5 | 0 | 0 | 114.5 | A96 Y100 L141 | A96-E98 VanDerWaalsContact CB-CD 3.45Å; A96-E98 HydrophobicContact CB-CG 4.32Å; A96-E98 WeakPolarHBondContact CB-OE1 3.06Å; A96-E98 WeakPolarHBondContact CB-OE2 3.47Å; A96-E98 PolarHBondContact O-N 3.01Å; A96-E98 VanDerWaalsContact O-N 3.12Å; E98-Y100 PolarHBondContact O-N 3.06Å; E98-L141 HydrophobicContact CB-CD1 4.49Å; E98-L141 HydrophobicContact CB-CD2 4.07Å |
| 99 | N | 97.1 | Very high | 98 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | trans | -82.9 | 42.2 | -173 | -72.2 | -19.5 | 0 | 0 | 0 | 114 | T95 A96 P97 D101 R102 R103 D193 | T95-N99 WeakPolarHBondContact OG1-CB 3.34Å; A96-N99 WeakPolarHBondContact O-CB 3.19Å; A96-N99 PolarHBondContact O-N 3.37Å; P97-N99 VanDerWaalsContact C-N 3.29Å; P97-N99 PolarHBondContact O-N 3.14Å; N99-D101 VanDerWaalsContact C-N 3.3Å; N99-D101 PolarHBondContact O-N 3.28Å; N99-R102 HydrophobicContact CB-CB 4.2Å; N99-R102 HydrophobicContact CB-CG 4.13Å; N99-R102 PolarHBondContact O-N 2.9Å; N99-R103 PolarHBondContact O-N 3.13Å; N99-R103 VanDerWaalsContact O-N 3.14Å; N99-R103 PolarHBondContact O-NH1 3.43Å; N99-D193 WeakPolarHBondContact CB-OD2 3.36Å; N99-D193 PolarHBondContact ND2-OD2 2.73Å | ||
| 100 | Y | 97.3 | Very high | 98 | Very high | 96 Ų | 96 | 31.5 Ų | 31.5 | 38% | 0.376 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -52.8 | -46.4 | 178.2 | 174.4 | -93.4 | 0 | 0 | 0 | 112.4 | E98 R102 R103 S104 E148 | E98-Y100 PolarHBondContact O-N 3.06Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.09Å; Y100-R103 PolarHBondContact O-N 2.87Å; Y100-S104 WeakPolarHBondContact O-CB 3.2Å; Y100-S104 PolarHBondContact O-N 3.23Å; Y100-E148 HydrophobicContact CD2-CB 4.23Å; Y100-E148 VanDerWaalsContact CD2-CD 3.44Å; Y100-E148 HydrophobicContact CD2-CG 3.97Å; Y100-E148 WeakPolarHBondContact CD2-OE2 3.5Å; Y100-E148 HydrophobicContact CE2-CB 4.06Å; Y100-E148 HydrophobicContact CE2-CG 3.77Å |
| 101 | D | 97.9 | Very high | 98 | Very high | 125 Ų | 125 | 31.7 Ų | 31.7 | 67% | 0.668 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -65.2 | -34.3 | -177.2 | -69.5 | -34.6 | 0 | 0 | 0 | 112.5 | N99 S104 A105 | N99-D101 VanDerWaalsContact C-N 3.3Å; N99-D101 PolarHBondContact O-N 3.28Å; D101-S104 PolarHBondContact O-N 3.38Å; D101-A105 WeakPolarHBondContact O-CB 3.46Å; D101-A105 PolarHBondContact O-N 3.23Å |
| 102 | R | 98.2 | Very high | 98 | Very high | 70 Ų | 70 | 34 Ų | 34 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.4 | -48.6 | 175.2 | -57.8 | -172.3 | -170.7 | -170.5 | -1.5 | 110.4 | N99 Y100 S104 A105 I106 D193 | N99-R102 HydrophobicContact CB-CB 4.2Å; N99-R102 HydrophobicContact CB-CG 4.13Å; N99-R102 PolarHBondContact O-N 2.9Å; Y100-R102 VanDerWaalsContact C-N 3.3Å; Y100-R102 PolarHBondContact O-N 3.09Å; R102-S104 VanDerWaalsContact C-N 3.31Å; R102-S104 PolarHBondContact O-N 3.11Å; R102-A105 PolarHBondContact O-N 3.25Å; R102-I106 VanDerWaalsContact O-CG1 3.29Å; R102-I106 WeakPolarHBondContact O-CG1 3.19Å; R102-I106 PolarHBondContact O-N 2.89Å; R102-D193 HydrophobicContact CB-CB 4.3Å; R102-D193 VanDerWaalsContact CD-CG 3.46Å; R102-D193 VanDerWaalsContact CD-OD1 3.27Å; R102-D193 WeakPolarHBondContact CD-OD1 3.24Å; R102-D193 IonicContact CZ-OD1 3.3Å; R102-D193 IonicContact NE-OD1 3.77Å; R102-D193 IonicContact NH1-OD1 3.43Å; R102-D193 PolarHBondContact NH1-OD1 2.82Å |
| 103 | R | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.1 | -45.1 | 174.4 | -63.8 | -169.2 | -72.8 | -80.8 | 9 | 111.4 | T95 A96 P97 N99 Y100 A105 I106 R107 F128 E148 | T95-R103 HydrophobicContact CG2-CG 3.88Å; A96-R103 PolarHBondContact O-NH1 3.08Å; P97-R103 PolarHBondContact O-NH1 3.15Å; P97-R103 PolarHBondContact O-NH2 3.41Å; N99-R103 PolarHBondContact O-N 3.13Å; N99-R103 VanDerWaalsContact O-N 3.14Å; N99-R103 PolarHBondContact O-NH1 3.43Å; Y100-R103 PolarHBondContact O-N 2.87Å; R103-A105 PolarHBondContact O-N 3.38Å; R103-I106 PolarHBondContact O-N 3.04Å; R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 2.85Å; R103-F128 HydrophobicContact CB-CD1 4.09Å; R103-F128 HydrophobicContact CB-CE1 3.8Å; R103-F128 HydrophobicContact CB-CE2 4.29Å; R103-F128 HydrophobicContact CB-CG 4.46Å; R103-F128 HydrophobicContact CB-CZ 3.9Å; R103-F128 HydrophobicContact CG-CD1 3.51Å; R103-F128 HydrophobicContact CG-CD2 4.48Å; R103-F128 HydrophobicContact CG-CE1 3.69Å; R103-F128 HydrophobicContact CG-CG 3.94Å; R103-F128 HydrophobicContact CG-CZ 4.26Å; R103-E148 IonicContact CZ-OE1 3.83Å; R103-E148 IonicContact CZ-OE2 2.82Å; R103-E148 VanDerWaalsContact CZ-OE2 3.3Å; R103-E148 VanDerWaalsContact NE-CD 3.34Å; R103-E148 IonicContact NE-OE1 2.72Å; R103-E148 PolarHBondContact NE-OE1 2.78Å; R103-E148 IonicContact NE-OE2 2.73Å; R103-E148 PolarHBondContact NE-OE2 3.15Å; R103-E148 VanDerWaalsContact NE-OE2 3.08Å; R103-E148 IonicContact NH2-OE1 2.7Å; R103-E148 IonicContact NH2-OE2 3.67Å; R103-E148 PolarHBondContact NH2-OE2 2.86Å |
| 104 | S | 98.3 | Very high | 97.8 | Very high | 10 Ų | 10 | 42 Ų | 42 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.1 | -43.8 | 176.4 | -166.6 | 0 | 0 | 0 | 0 | 112.4 | Y100 D101 R102 R107 K108 | Y100-S104 WeakPolarHBondContact O-CB 3.2Å; Y100-S104 PolarHBondContact O-N 3.23Å; D101-S104 PolarHBondContact O-N 3.38Å; R102-S104 VanDerWaalsContact C-N 3.31Å; R102-S104 PolarHBondContact O-N 3.11Å; S104-R107 PolarHBondContact O-N 3.48Å; S104-K108 WeakPolarHBondContact O-CD 3.34Å; S104-K108 VanDerWaalsContact O-CG 3.29Å; S104-K108 WeakPolarHBondContact O-CG 3.42Å; S104-K108 PolarHBondContact O-N 3.18Å; S104-K108 PolarHBondContact OG-NZ 2.76Å |
| 105 | A | 98.5 | Very high | 97.8 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 13% | 0.132 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D101 R102 R103 K108 T109 L328 | D101-A105 WeakPolarHBondContact O-CB 3.46Å; D101-A105 PolarHBondContact O-N 3.23Å; R102-A105 PolarHBondContact O-N 3.25Å; R103-A105 PolarHBondContact O-N 3.38Å; A105-K108 PolarHBondContact O-N 2.98Å; A105-T109 WeakPolarHBondContact O-CB 3.16Å; A105-T109 WeakPolarHBondContact O-CG2 3.49Å; A105-T109 PolarHBondContact O-N 3.24Å; A105-T109 VanDerWaalsContact O-N 3.16Å; A105-T109 PolarHBondContact O-OG1 3.38Å; A105-L328 HydrophobicContact CB-CD2 3.92Å |
| 106 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 176.6 | -68.7 | 170.4 | 0 | 0 | 0 | 111 | V93 R102 R103 K108 T109 W110 G111 F128 D193 L328 | V93-I106 HydrophobicContact CG1-CD1 3.82Å; R102-I106 VanDerWaalsContact O-CG1 3.29Å; R102-I106 WeakPolarHBondContact O-CG1 3.19Å; R102-I106 PolarHBondContact O-N 2.89Å; R103-I106 PolarHBondContact O-N 3.04Å; I106-K108 PolarHBondContact O-N 2.88Å; I106-T109 CarbonylContact O-C 3.56Å; I106-T109 PolarHBondContact O-N 3.41Å; I106-T109 PolarHBondContact O-OG1 2.97Å; I106-W110 HydrophobicContact CB-CH2 4.34Å; I106-W110 HydrophobicContact CB-CZ2 4.17Å; I106-W110 HydrophobicContact CD1-CH2 3.7Å; I106-W110 HydrophobicContact CD1-CZ2 3.46Å; I106-W110 VanDerWaalsContact CD1-CZ2 3.46Å; I106-W110 HydrophobicContact CG1-CH2 3.93Å; I106-W110 HydrophobicContact CG1-CZ2 3.41Å; I106-W110 VanDerWaalsContact CG1-CZ2 3.41Å; I106-W110 HydrophobicContact CG2-CD2 4.03Å; I106-W110 HydrophobicContact CG2-CE3 3.78Å; I106-W110 HydrophobicContact CG2-CH2 3.49Å; I106-W110 VanDerWaalsContact CG2-CH2 3.49Å; I106-W110 HydrophobicContact CG2-CZ2 3.75Å; I106-W110 HydrophobicContact CG2-CZ3 3.47Å; I106-W110 VanDerWaalsContact CG2-CZ3 3.47Å; I106-G111 WeakPolarHBondContact O-CA 3.4Å; I106-G111 PolarHBondContact O-N 3.34Å; I106-F128 HydrophobicContact CB-CE1 4.17Å; I106-F128 HydrophobicContact CB-CZ 4.14Å; I106-F128 HydrophobicContact CD1-CE1 4.18Å; I106-F128 HydrophobicContact CG2-CE1 3.98Å; I106-F128 HydrophobicContact CG2-CZ 3.89Å; I106-D193 HydrophobicContact CD1-CB 4.12Å; I106-L328 HydrophobicContact CG1-CD2 3.85Å |
| 107 | R | 98.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 50.9 Ų | 50.9 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.3 | -34.2 | 175.4 | -70.6 | -179.2 | -171.1 | 108.1 | 1 | 112.9 | R103 S104 T109 N112 F128 E148 D154 | R103-R107 WeakPolarHBondContact O-CG 3.45Å; R103-R107 PolarHBondContact O-N 2.85Å; S104-R107 PolarHBondContact O-N 3.48Å; R107-T109 VanDerWaalsContact C-N 3.33Å; R107-N112 VanDerWaalsContact O-CB 3.31Å; R107-N112 WeakPolarHBondContact O-CB 2.88Å; R107-N112 PolarHBondContact O-ND2 3.34Å; R107-F128 HydrophobicContact CG-CE2 3.85Å; R107-F128 HydrophobicContact CG-CZ 3.98Å; R107-E148 IonicContact CZ-OE1 2.93Å; R107-E148 IonicContact NH1-OE1 2.67Å; R107-E148 PolarHBondContact NH1-OE1 2.98Å; R107-E148 IonicContact NH2-OE1 3.42Å; R107-E148 PolarHBondContact NH2-OE1 3.04Å; R107-D154 IonicContact CZ-OD1 3.19Å; R107-D154 IonicContact CZ-OD2 3.86Å; R107-D154 IonicContact NE-OD1 2.71Å; R107-D154 PolarHBondContact NE-OD1 3.41Å; R107-D154 IonicContact NE-OD2 2.83Å; R107-D154 PolarHBondContact NE-OD2 2.54Å; R107-D154 IonicContact NH2-OD1 2.77Å; R107-D154 PolarHBondContact NH2-OD1 3.01Å; R107-D154 IonicContact NH2-OD2 3.08Å |
| 108 | K | 98.1 | Very high | 97.9 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 55% | 0.548 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -81.6 | -10.8 | 178.7 | -69.5 | 167.6 | -175.1 | 164.2 | 0 | 113.6 | S104 A105 I106 | S104-K108 WeakPolarHBondContact O-CD 3.34Å; S104-K108 VanDerWaalsContact O-CG 3.29Å; S104-K108 WeakPolarHBondContact O-CG 3.42Å; S104-K108 PolarHBondContact O-N 3.18Å; S104-K108 PolarHBondContact OG-NZ 2.76Å; A105-K108 PolarHBondContact O-N 2.98Å; I106-K108 PolarHBondContact O-N 2.88Å |
| 109 | T | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.4 | -116.9 | -173.3 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | A105 I106 R107 G111 N112 Q329 W332 | A105-T109 WeakPolarHBondContact O-CB 3.16Å; A105-T109 WeakPolarHBondContact O-CG2 3.49Å; A105-T109 PolarHBondContact O-N 3.24Å; A105-T109 VanDerWaalsContact O-N 3.16Å; A105-T109 PolarHBondContact O-OG1 3.38Å; I106-T109 CarbonylContact O-C 3.56Å; I106-T109 PolarHBondContact O-N 3.41Å; I106-T109 PolarHBondContact O-OG1 2.97Å; R107-T109 VanDerWaalsContact C-N 3.33Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.09Å; T109-N112 VanDerWaalsContact O-CB 3.29Å; T109-N112 WeakPolarHBondContact O-CB 3.18Å; T109-N112 PolarHBondContact O-N 3.18Å; T109-Q329 HydrophobicContact CG2-CB 4.35Å; T109-Q329 HydrophobicContact CG2-CG 3.82Å; T109-W332 HydrophobicContact CG2-CB 3.69Å; T109-W332 HydrophobicContact CG2-CG 3.77Å |
| 110 | W | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.9 | -170.2 | 55.4 | -105.2 | 0 | 0 | 0 | 113.9 | L91 V93 I106 N112 I195 I197 M199 W332 | L91-W110 HydrophobicContact CD2-CE3 3.98Å; L91-W110 HydrophobicContact CD2-CZ3 3.69Å; L91-W110 HydrophobicContact CG-CZ3 4.42Å; V93-W110 HydrophobicContact CG1-CH2 4.28Å; V93-W110 HydrophobicContact CG2-CH2 3.63Å; V93-W110 HydrophobicContact CG2-CZ3 3.77Å; I106-W110 HydrophobicContact CB-CH2 4.34Å; I106-W110 HydrophobicContact CB-CZ2 4.17Å; I106-W110 HydrophobicContact CD1-CH2 3.7Å; I106-W110 HydrophobicContact CD1-CZ2 3.46Å; I106-W110 VanDerWaalsContact CD1-CZ2 3.46Å; I106-W110 HydrophobicContact CG1-CH2 3.93Å; I106-W110 HydrophobicContact CG1-CZ2 3.41Å; I106-W110 VanDerWaalsContact CG1-CZ2 3.41Å; I106-W110 HydrophobicContact CG2-CD2 4.03Å; I106-W110 HydrophobicContact CG2-CE3 3.78Å; I106-W110 HydrophobicContact CG2-CH2 3.49Å; I106-W110 VanDerWaalsContact CG2-CH2 3.49Å; I106-W110 HydrophobicContact CG2-CZ2 3.75Å; I106-W110 HydrophobicContact CG2-CZ3 3.47Å; I106-W110 VanDerWaalsContact CG2-CZ3 3.47Å; W110-N112 VanDerWaalsContact C-N 3.3Å; W110-I195 VanDerWaalsContact CZ2-O 3.29Å; W110-I195 WeakPolarHBondContact CZ2-O 3.32Å; W110-I195 PolarHBondContact NE1-O 2.95Å; W110-I197 HydrophobicContact CB-CB 4.29Å; W110-I197 WeakPolarHBondContact CB-O 3.33Å; W110-I197 HydrophobicContact CD2-CB 4.08Å; W110-I197 HydrophobicContact CD2-CD1 4.2Å; W110-I197 HydrophobicContact CD2-CG1 4.24Å; W110-I197 HydrophobicContact CE3-CB 4.29Å; W110-I197 HydrophobicContact CE3-CD1 3.74Å; W110-I197 HydrophobicContact CE3-CG1 4.28Å; W110-I197 HydrophobicContact CG-CB 4.12Å; W110-I197 HydrophobicContact CH2-CD1 3.98Å; W110-I197 HydrophobicContact CZ2-CD1 4.39Å; W110-I197 HydrophobicContact CZ3-CD1 3.66Å; W110-M199 HydrophobicContact CB-CB 4.48Å; W110-M199 WeakPolarHBondContact O-CE 3.47Å; W110-W332 HydrophobicContact CB-CE3 3.97Å; W110-W332 HydrophobicContact CB-CH2 4.35Å; W110-W332 HydrophobicContact CB-CZ3 3.63Å |
| 111 | G | 98.2 | Very high | 98 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 5% | 0.052 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 3.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I106 T109 E113 T126 | I106-G111 WeakPolarHBondContact O-CA 3.4Å; I106-G111 PolarHBondContact O-N 3.34Å; T109-G111 VanDerWaalsContact C-N 3.29Å; T109-G111 PolarHBondContact O-N 3.09Å; G111-E113 PolarHBondContact O-N 3.47Å; G111-T126 PolarHBondContact O-OG1 3.13Å |
| 112 | N | 98.4 | Very high | 97.9 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | trans | -76.2 | 102.4 | -175 | -170.6 | -47 | 0 | 0 | 0 | 112.3 | R107 T109 W110 N114 Y115 V116 | R107-N112 VanDerWaalsContact O-CB 3.31Å; R107-N112 WeakPolarHBondContact O-CB 2.88Å; R107-N112 PolarHBondContact O-ND2 3.34Å; T109-N112 VanDerWaalsContact O-CB 3.29Å; T109-N112 WeakPolarHBondContact O-CB 3.18Å; T109-N112 PolarHBondContact O-N 3.18Å; W110-N112 VanDerWaalsContact C-N 3.3Å; N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.4Å; N112-N114 WeakPolarHBondContact OD1-CB 3.48Å; N112-N114 PolarHBondContact OD1-N 2.53Å; N112-N114 VanDerWaalsContact OD1-N 3.09Å; N112-Y115 PolarHBondContact O-N 3.47Å; N112-Y115 PolarHBondContact OD1-N 3.4Å; N112-V116 WeakPolarHBondContact O-CG2 3.37Å; N112-V116 PolarHBondContact O-N 2.81Å | ||
| 113 | E | 97.6 | Very high | 97.9 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 19% | 0.192 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.6 | -39.4 | -179.9 | -60.5 | -172.7 | -166.3 | 0 | 0 | 112.9 | K81 G111 V116 W117 I124 K125 T126 | K81-E113 VanDerWaalsContact CE-OE1 3.25Å; K81-E113 WeakPolarHBondContact CE-OE1 3.42Å; K81-E113 IonicContact NZ-OE1 2.75Å; G111-E113 PolarHBondContact O-N 3.47Å; E113-V116 PolarHBondContact O-N 3.21Å; E113-W117 WeakPolarHBondContact O-CB 3.18Å; E113-W117 PolarHBondContact O-N 3.22Å; E113-I124 HydrophobicContact CG-CG1 4.25Å; E113-K125 IonicContact OE2-NZ 3.9Å; E113-K125 PolarHBondContact OE2-NZ 3.49Å; E113-K125 VanDerWaalsContact OE2-NZ 3.12Å; E113-T126 PolarHBondContact OE1-N 3.45Å |
| 114 | N | 97.5 | Very high | 97.9 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 68% | 0.679 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -68.3 | -37.7 | -178.6 | -69.3 | -28.7 | 0 | 0 | 0 | 112.5 | N112 S118 | N112-N114 VanDerWaalsContact C-N 3.3Å; N112-N114 PolarHBondContact O-N 3.4Å; N112-N114 WeakPolarHBondContact OD1-CB 3.48Å; N112-N114 PolarHBondContact OD1-N 2.53Å; N112-N114 VanDerWaalsContact OD1-N 3.09Å; N114-S118 VanDerWaalsContact O-CB 3.31Å; N114-S118 WeakPolarHBondContact O-CB 3.48Å; N114-S118 PolarHBondContact O-N 3.45Å; N114-S118 PolarHBondContact O-OG 2.91Å |
| 115 | Y | 97.9 | Very high | 97.8 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.7 | -47.9 | 173.1 | 171.6 | -92.3 | 0 | 0 | 0 | 110.2 | N112 W117 S118 Q119 L120 P200 W332 | N112-Y115 PolarHBondContact O-N 3.47Å; N112-Y115 PolarHBondContact OD1-N 3.4Å; Y115-W117 PolarHBondContact O-N 3.27Å; Y115-S118 PolarHBondContact O-N 3.41Å; Y115-Q119 HydrophobicContact CD2-CB 4.23Å; Y115-Q119 HydrophobicContact CD2-CG 3.61Å; Y115-Q119 HydrophobicContact CE2-CB 4Å; Y115-Q119 HydrophobicContact CE2-CG 3.65Å; Y115-Q119 HydrophobicContact CG-CG 4.28Å; Y115-Q119 WeakPolarHBondContact O-CB 3.24Å; Y115-Q119 WeakPolarHBondContact O-CG 3.42Å; Y115-Q119 PolarHBondContact O-N 3.3Å; Y115-L120 HydrophobicContact CE1-CD1 4.06Å; Y115-L120 HydrophobicContact CE1-CG 4.27Å; Y115-P200 HydrophobicContact CE1-CG 4.5Å; Y115-W332 HydrophobicContact CD1-CH2 4.07Å; Y115-W332 AromaticContact CD1-CZ2 3.85Å; Y115-W332 HydrophobicContact CD1-CZ2 3.85Å; Y115-W332 HydrophobicContact CD2-CZ2 4.5Å; Y115-W332 AromaticContact CE1-CH2 3.61Å; Y115-W332 HydrophobicContact CE1-CH2 3.61Å; Y115-W332 AromaticContact CE1-CZ2 3.52Å; Y115-W332 HydrophobicContact CE1-CZ2 3.52Å; Y115-W332 HydrophobicContact CE2-CZ2 4.21Å; Y115-W332 HydrophobicContact CG-CZ2 4.33Å; Y115-W332 AromaticContact CZ-CZ2 3.72Å |
| 116 | V | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | -178.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | N112 E113 L120 N121 A122 I124 M199 I203 | N112-V116 WeakPolarHBondContact O-CG2 3.37Å; N112-V116 PolarHBondContact O-N 2.81Å; E113-V116 PolarHBondContact O-N 3.21Å; V116-L120 HydrophobicContact CB-CD1 4.5Å; V116-L120 HydrophobicContact CG1-CB 4.36Å; V116-L120 HydrophobicContact CG1-CD1 4.22Å; V116-L120 HydrophobicContact CG2-CD1 4.26Å; V116-L120 CarbonylContact O-C 3.33Å; V116-L120 WeakPolarHBondContact O-CA 3.49Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.35Å; V116-L120 PolarHBondContact O-N 3.28Å; V116-N121 PolarHBondContact O-N 3.28Å; V116-A122 CarbonylContact C-O 3.51Å; V116-A122 HydrophobicContact CG1-CB 4.02Å; V116-I124 HydrophobicContact CB-CD1 4.05Å; V116-I124 HydrophobicContact CB-CG1 4.08Å; V116-I124 HydrophobicContact CG1-CD1 4.18Å; V116-I124 HydrophobicContact CG1-CG1 4.07Å; V116-I124 HydrophobicContact CG1-CG2 3.7Å; V116-I124 HydrophobicContact CG2-CD1 3.72Å; V116-I124 HydrophobicContact CG2-CG1 4.31Å; V116-M199 HydrophobicContact CG2-CG 3.44Å; V116-M199 VanDerWaalsContact CG2-CG 3.44Å; V116-M199 HydrophobicContact CG2-SD 4.4Å; V116-I203 HydrophobicContact CG1-CD1 4Å; V116-I203 HydrophobicContact CG1-CG1 3.99Å |
| 117 | W | 97.1 | Very high | 97.8 | Very high | 155 Ų | 155 | 48.9 Ų | 48.9 | 59% | 0.587 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.3 | -54.1 | 174.5 | 178.7 | -100.5 | 0 | 0 | 0 | 112.2 | E113 Y115 N121 A122 N123 | E113-W117 WeakPolarHBondContact O-CB 3.18Å; E113-W117 PolarHBondContact O-N 3.22Å; Y115-W117 PolarHBondContact O-N 3.27Å; W117-N121 WeakPolarHBondContact O-CA 3.44Å; W117-N121 PolarHBondContact O-N 3.34Å; W117-A122 VanDerWaalsContact CA-O 3.27Å; W117-A122 WeakPolarHBondContact CA-O 3.18Å; W117-A122 PolarHBondContact N-O 2.73Å; W117-N123 HydrophobicContact CE3-CB 3.93Å; W117-N123 HydrophobicContact CZ3-CB 3.87Å |
| 118 | S | 97.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 47.6 Ų | 47.6 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -77.4 | -32.2 | -172 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | N114 Y115 | N114-S118 VanDerWaalsContact O-CB 3.31Å; N114-S118 WeakPolarHBondContact O-CB 3.48Å; N114-S118 PolarHBondContact O-N 3.45Å; N114-S118 PolarHBondContact O-OG 2.91Å; Y115-S118 PolarHBondContact O-N 3.41Å |
| 119 | Q | 97.2 | Very high | 97.9 | Very high | 128 Ų | 128 | 41.6 Ų | 41.6 | 60% | 0.598 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -102.8 | -27.9 | -173.5 | -54.3 | -55.5 | -62.5 | 0 | 0 | 113.2 | Y115 | Y115-Q119 HydrophobicContact CD2-CB 4.23Å; Y115-Q119 HydrophobicContact CD2-CG 3.61Å; Y115-Q119 HydrophobicContact CE2-CB 4Å; Y115-Q119 HydrophobicContact CE2-CG 3.65Å; Y115-Q119 HydrophobicContact CG-CG 4.28Å; Y115-Q119 WeakPolarHBondContact O-CB 3.24Å; Y115-Q119 WeakPolarHBondContact O-CG 3.42Å; Y115-Q119 PolarHBondContact O-N 3.3Å |
| 120 | L | 97.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -115.4 | -2.2 | -174.8 | -49.2 | 178.5 | 0 | 0 | 0 | 113.1 | Y115 V116 A122 M199 P200 I203 Q207 | Y115-L120 HydrophobicContact CE1-CD1 4.06Å; Y115-L120 HydrophobicContact CE1-CG 4.27Å; V116-L120 HydrophobicContact CB-CD1 4.5Å; V116-L120 HydrophobicContact CG1-CB 4.36Å; V116-L120 HydrophobicContact CG1-CD1 4.22Å; V116-L120 HydrophobicContact CG2-CD1 4.26Å; V116-L120 CarbonylContact O-C 3.33Å; V116-L120 WeakPolarHBondContact O-CA 3.49Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.35Å; V116-L120 PolarHBondContact O-N 3.28Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3Å; L120-M199 HydrophobicContact CD1-CB 4.45Å; L120-M199 HydrophobicContact CD1-CG 4.05Å; L120-P200 HydrophobicContact CD1-CB 4.45Å; L120-P200 HydrophobicContact CD1-CG 4.33Å; L120-P200 HydrophobicContact CD2-CB 3.95Å; L120-P200 HydrophobicContact CD2-CG 4.17Å; L120-I203 HydrophobicContact CB-CB 4.46Å; L120-I203 HydrophobicContact CB-CG2 4.04Å; L120-I203 HydrophobicContact CD1-CB 4.17Å; L120-I203 HydrophobicContact CD1-CG1 3.9Å; L120-Q207 PolarHBondContact O-NE2 3.05Å |
| 121 | N | 96.9 | Very high | 97.8 | Very high | 132 Ų | 132 | 41.4 Ų | 41.4 | 71% | 0.706 | 21% | 0.207 | S | C | * | . | trans | 52.9 | 47 | 178.9 | -168.4 | 62.1 | 0 | 0 | 0 | 112.4 | V116 W117 Q207 | V116-N121 PolarHBondContact O-N 3.28Å; W117-N121 WeakPolarHBondContact O-CA 3.44Å; W117-N121 PolarHBondContact O-N 3.34Å; N121-Q207 PolarHBondContact O-NE2 2.97Å | ||
| 122 | A | 97.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | trans | -138.4 | 141.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L88 V116 W117 L120 I203 | L88-A122 HydrophobicContact CD2-CB 3.73Å; V116-A122 CarbonylContact C-O 3.51Å; V116-A122 HydrophobicContact CG1-CB 4.02Å; W117-A122 VanDerWaalsContact CA-O 3.27Å; W117-A122 WeakPolarHBondContact CA-O 3.18Å; W117-A122 PolarHBondContact N-O 2.73Å; L120-A122 VanDerWaalsContact C-N 3.3Å; L120-A122 PolarHBondContact O-N 3Å; A122-I203 HydrophobicContact CB-CD1 4.26Å; A122-I203 HydrophobicContact CB-CG2 3.55Å | ||
| 123 | N | 97.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 12% | 0.118 | 20% | 0.201 | C | C | . | . | trans | -94.1 | 122.8 | 171.9 | -175.5 | 17.4 | 0 | 0 | 0 | 109.6 | D86 L88 W117 K125 | D86-N123 WeakPolarHBondContact O-CB 3.42Å; D86-N123 PolarHBondContact O-ND2 2.92Å; L88-N123 PolarHBondContact N-O 3.33Å; W117-N123 HydrophobicContact CE3-CB 3.93Å; W117-N123 HydrophobicContact CZ3-CB 3.87Å; N123-K125 WeakPolarHBondContact OD1-CE 3.19Å; N123-K125 PolarHBondContact OD1-NZ 3.46Å | ||
| 124 | I | 98 | Very high | 97 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 159 | 174.9 | 71.8 | 162.5 | 0 | 0 | 0 | 109.7 | L89 E113 V116 M199 I203 | L89-I124 HydrophobicContact CB-CB 4.21Å; L89-I124 HydrophobicContact CB-CG2 3.73Å; L89-I124 HydrophobicContact CD2-CG2 4.49Å; L89-I124 CarbonylContact O-C 3.46Å; L89-I124 WeakPolarHBondContact O-CA 3.48Å; L89-I124 WeakPolarHBondContact O-CB 3.31Å; E113-I124 HydrophobicContact CG-CG1 4.25Å; V116-I124 HydrophobicContact CB-CD1 4.05Å; V116-I124 HydrophobicContact CB-CG1 4.08Å; V116-I124 HydrophobicContact CG1-CD1 4.18Å; V116-I124 HydrophobicContact CG1-CG1 4.07Å; V116-I124 HydrophobicContact CG1-CG2 3.7Å; V116-I124 HydrophobicContact CG2-CD1 3.72Å; V116-I124 HydrophobicContact CG2-CG1 4.31Å; I124-M199 HydrophobicContact CD1-CE 4.27Å; I124-I203 HydrophobicContact CG2-CD1 3.85Å |
| 125 | K | 98.1 | Very high | 96.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.126 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.8 | 170 | -61.8 | -62.3 | 160.2 | -149.3 | 0 | 109.7 | K81 V87 L89 L90 L91 E113 N123 | K81-K125 HydrophobicContact CG-CD 4.27Å; K81-K125 VanDerWaalsContact O-CD 3.31Å; K81-K125 WeakPolarHBondContact O-CD 3.31Å; K81-K125 WeakPolarHBondContact O-CE 3.39Å; V87-K125 HydrophobicContact CG1-CG 4.25Å; V87-K125 HydrophobicContact CG2-CG 4.09Å; L89-K125 PolarHBondContact O-N 3.49Å; L90-K125 HydrophobicContact CD1-CB 3.87Å; L91-K125 PolarHBondContact N-O 3.45Å; E113-K125 IonicContact OE2-NZ 3.9Å; E113-K125 PolarHBondContact OE2-NZ 3.49Å; E113-K125 VanDerWaalsContact OE2-NZ 3.12Å; N123-K125 WeakPolarHBondContact OD1-CE 3.19Å; N123-K125 PolarHBondContact OD1-NZ 3.46Å |
| 126 | T | 98.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.5 | 177.1 | -55.6 | 0 | 0 | 0 | 0 | 108.5 | L91 V93 G111 E113 | L91-T126 HydrophobicContact CD2-CG2 4.44Å; L91-T126 WeakPolarHBondContact O-CA 3.18Å; V93-T126 HydrophobicContact CG2-CG2 4.32Å; G111-T126 PolarHBondContact O-OG1 3.13Å; E113-T126 PolarHBondContact OE1-N 3.45Å |
| 127 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.6 | 177.2 | -73.5 | 174.2 | 0 | 0 | 0 | 110.6 | K81 L90 L91 F92 V93 D154 I156 W177 | K81-L127 HydrophobicContact CG-CD2 3.96Å; K81-L127 HydrophobicContact CG-CG 4.49Å; L90-L127 HydrophobicContact CD1-CD1 4.2Å; L91-L127 PolarHBondContact O-N 3.45Å; F92-L127 CarbonylContact C-O 3.46Å; F92-L127 WeakPolarHBondContact CA-O 3.03Å; F92-L127 HydrophobicContact CD1-CB 3.72Å; F92-L127 HydrophobicContact CD1-CD1 4.44Å; F92-L127 HydrophobicContact CE1-CB 3.81Å; F92-L127 HydrophobicContact CE1-CD1 3.69Å; F92-L127 HydrophobicContact CE1-CG 4.41Å; F92-L127 HydrophobicContact CZ-CD1 4.37Å; V93-L127 PolarHBondContact N-O 2.86Å; L127-D154 CarbonylContact C-O 3.53Å; L127-D154 WeakPolarHBondContact CA-O 3.45Å; L127-I156 HydrophobicContact CD1-CG2 4.21Å; L127-I156 HydrophobicContact CD2-CG2 4.14Å; L127-W177 HydrophobicContact CD1-CD2 4.05Å; L127-W177 HydrophobicContact CD1-CE3 3.87Å; L127-W177 HydrophobicContact CD1-CH2 3.38Å; L127-W177 HydrophobicContact CD1-CZ2 3.56Å; L127-W177 HydrophobicContact CD1-CZ3 3.52Å |
| 128 | F | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.1 | 172.4 | -63.3 | -77.2 | 0 | 0 | 0 | 109.4 | V93 T95 R103 I106 R107 L130 D154 V155 I156 | V93-F128 HydrophobicContact CB-CD1 3.64Å; V93-F128 HydrophobicContact CB-CE1 3.92Å; V93-F128 HydrophobicContact CG1-CD1 3.85Å; V93-F128 HydrophobicContact CG1-CE1 3.94Å; V93-F128 HydrophobicContact CG2-CD1 4.28Å; V93-F128 HydrophobicContact CG2-CE1 4.13Å; T95-F128 HydrophobicContact CG2-CB 3.95Å; T95-F128 HydrophobicContact CG2-CD1 4.05Å; T95-F128 HydrophobicContact CG2-CG 4.43Å; R103-F128 HydrophobicContact CB-CD1 4.09Å; R103-F128 HydrophobicContact CB-CE1 3.8Å; R103-F128 HydrophobicContact CB-CE2 4.29Å; R103-F128 HydrophobicContact CB-CG 4.46Å; R103-F128 HydrophobicContact CB-CZ 3.9Å; R103-F128 HydrophobicContact CG-CD1 3.51Å; R103-F128 HydrophobicContact CG-CD2 4.48Å; R103-F128 HydrophobicContact CG-CE1 3.69Å; R103-F128 HydrophobicContact CG-CG 3.94Å; R103-F128 HydrophobicContact CG-CZ 4.26Å; I106-F128 HydrophobicContact CB-CE1 4.17Å; I106-F128 HydrophobicContact CB-CZ 4.14Å; I106-F128 HydrophobicContact CD1-CE1 4.18Å; I106-F128 HydrophobicContact CG2-CE1 3.98Å; I106-F128 HydrophobicContact CG2-CZ 3.89Å; R107-F128 HydrophobicContact CG-CE2 3.85Å; R107-F128 HydrophobicContact CG-CZ 3.98Å; F128-L130 HydrophobicContact CB-CD1 3.86Å; F128-L130 WeakPolarHBondContact O-CD1 3.43Å; F128-D154 HydrophobicContact CD2-CB 4.41Å; F128-D154 WeakPolarHBondContact CE2-OD2 3.34Å; F128-D154 PolarHBondContact N-O 3.25Å; F128-V155 HydrophobicContact CB-CG2 4.4Å; F128-I156 PolarHBondContact O-N 3.42Å |
| 129 | A | 98.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | V93 T95 I156 K170 M173 Q174 | V93-A129 PolarHBondContact O-N 3.42Å; T95-A129 PolarHBondContact N-O 2.86Å; A129-I156 HydrophobicContact CB-CD1 4.33Å; A129-I156 HydrophobicContact CB-CG1 4.18Å; A129-K170 HydrophobicContact CB-CG 4.27Å; A129-K170 WeakPolarHBondContact O-CD 3.45Å; A129-K170 VanDerWaalsContact O-CE 3.27Å; A129-K170 WeakPolarHBondContact O-CE 3.35Å; A129-K170 PolarHBondContact O-NZ 3.45Å; A129-M173 HydrophobicContact CB-CE 3.61Å; A129-Q174 HydrophobicContact CB-CG 3.93Å |
| 130 | L | 97.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.6 | -173.9 | -61.7 | 101.3 | 0 | 0 | 0 | 113.1 | T95 P97 F128 L145 V155 I156 Q157 Q158 | T95-L130 HydrophobicContact CG2-CD1 3.9Å; T95-L130 HydrophobicContact CG2-CD2 4Å; T95-L130 HydrophobicContact CG2-CG 3.79Å; P97-L130 HydrophobicContact CB-CD2 4.29Å; P97-L130 HydrophobicContact CG-CD2 4.09Å; F128-L130 HydrophobicContact CB-CD1 3.86Å; F128-L130 WeakPolarHBondContact O-CD1 3.43Å; L130-L145 HydrophobicContact CD2-CD1 3.99Å; L130-L145 HydrophobicContact CD2-CD2 4.27Å; L130-V155 HydrophobicContact CD1-CB 4.42Å; L130-V155 HydrophobicContact CD1-CG1 3.63Å; L130-V155 HydrophobicContact CD1-CG2 4.27Å; L130-I156 PolarHBondContact N-O 3.24Å; L130-Q157 HydrophobicContact CB-CG 4.46Å; L130-Q157 WeakPolarHBondContact O-CA 3.21Å; L130-Q158 PolarHBondContact O-N 3.24Å |
| 131 | G | 97 | Very high | 92 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -169.6 | 158 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q157 F160 D162 | G131-Q157 PolarHBondContact O-NE2 3.02Å; G131-F160 CarbonylContact C-O 3.46Å; G131-F160 WeakPolarHBondContact CA-O 3.32Å; G131-D162 PolarHBondContact N-OD2 3.4Å |
| 132 | T | 95.8 | Very high | 91.9 | Very high | 20 Ų | 20 | 43.7 Ų | 43.7 | 12% | 0.123 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 147.1 | 171.1 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | L75 F160 V161 D162 | L75-T132 HydrophobicContact CD1-CG2 3.43Å; L75-T132 VanDerWaalsContact CD1-CG2 3.43Å; T132-F160 PolarHBondContact N-O 3.37Å; T132-F160 VanDerWaalsContact OG1-C 3.3Å; T132-F160 PolarHBondContact OG1-O 3.15Å; T132-V161 WeakPolarHBondContact OG1-CA 3.17Å; T132-V161 PolarHBondContact OG1-N 3.46Å; T132-D162 WeakPolarHBondContact O-CB 3.35Å; T132-D162 PolarHBondContact O-N 2.91Å |
| 133 | P | 94.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 156.1 | 167.3 | -30.4 | 38.3 | 0 | 0 | 0 | 113.2 | P97 L141 Q142 | P97-P133 HydrophobicContact CB-CG 3.85Å; P97-P133 HydrophobicContact CG-CG 4.03Å; P133-L141 HydrophobicContact CB-CB 4.26Å; P133-L141 HydrophobicContact CB-CD2 4.06Å; P133-L141 HydrophobicContact CB-CG 4.35Å; P133-L141 HydrophobicContact CG-CB 4.02Å; P133-L141 HydrophobicContact CG-CD2 4.1Å; P133-L141 HydrophobicContact CG-CG 3.94Å; P133-Q142 HydrophobicContact CG-CB 4.26Å |
| 134 | S | 87.6 | Confident | 91.8 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 37% | 0.371 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 138.9 | 168.7 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | L136 E137 G138 | S134-L136 PolarHBondContact O-N 3.43Å; S134-E137 PolarHBondContact O-N 3.23Å; S134-E137 VanDerWaalsContact O-N 3.08Å; S134-G138 VanDerWaalsContact O-CA 3.23Å; S134-G138 WeakPolarHBondContact O-CA 3.33Å; S134-G138 PolarHBondContact O-N 2.73Å; S134-G138 VanDerWaalsContact O-N 3.08Å |
| 135 | P | 81.3 | Confident | 91.7 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 71% | 0.714 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.9 | 179.8 | -27.7 | 34.7 | 0 | 0 | 0 | 114.7 | ||
| 136 | L | 74.2 | Confident | 91.6 | Very high | 163 Ų | 163 | 55.6 Ų | 55.6 | 85% | 0.853 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.6 | -178.3 | -65.4 | 172 | 0 | 0 | 0 | 113.7 | S134 | S134-L136 PolarHBondContact O-N 3.43Š|
| 137 | E | 69.3 | Low | 91.6 | Very high | 145 Ų | 145 | 63.5 Ų | 63.5 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.9 | 9.3 | -176 | -62.4 | -179.3 | 177.1 | 0 | 0 | 111.6 | S134 | S134-E137 PolarHBondContact O-N 3.23Å; S134-E137 VanDerWaalsContact O-N 3.08Å |
| 138 | G | 79.9 | Confident | 91.6 | Very high | 13 Ų | 13 | 63.9 Ų | 63.9 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -80.5 | -36.7 | -147.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | S134 Q142 | S134-G138 VanDerWaalsContact O-CA 3.23Å; S134-G138 WeakPolarHBondContact O-CA 3.33Å; S134-G138 PolarHBondContact O-N 2.73Å; S134-G138 VanDerWaalsContact O-N 3.08Å; G138-Q142 WeakPolarHBondContact O-CB 3.4Å; G138-Q142 PolarHBondContact O-N 3.03Å |
| 139 | E | 87.8 | Confident | 91.5 | Very high | 164 Ų | 164 | 64.7 Ų | 64.7 | 77% | 0.766 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.9 | -43.4 | -172 | -71.2 | -169.2 | 176.4 | 0 | 0 | 113.3 | R143 | E139-R143 WeakPolarHBondContact O-CB 3.44Å; E139-R143 PolarHBondContact O-N 2.98Å |
| 140 | E | 91.5 | Very high | 91.4 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -43.6 | 179 | -169.8 | -169.9 | 151.7 | 0 | 0 | 110.8 | R143 K144 | E140-R143 WeakPolarHBondContact O-CB 3.36Å; E140-R143 PolarHBondContact O-N 3.19Å; E140-K144 WeakPolarHBondContact O-CG 3.39Å; E140-K144 PolarHBondContact O-N 3.08Å; E140-K144 WeakPolarHBondContact OE1-CE 3.4Å; E140-K144 IonicContact OE1-NZ 3.57Å; E140-K144 PolarHBondContact OE1-NZ 2.86Å |
| 141 | L | 93.7 | Very high | 91.4 | Very high | 29 Ų | 29 | 77.2 Ų | 77.2 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 179.8 | -173 | 53.9 | 0 | 0 | 0 | 111.6 | P97 E98 P133 R143 K144 L145 | P97-L141 HydrophobicContact CB-CD1 4.45Å; P97-L141 HydrophobicContact CB-CD2 3.76Å; P97-L141 HydrophobicContact CB-CG 3.86Å; E98-L141 HydrophobicContact CB-CD1 4.49Å; E98-L141 HydrophobicContact CB-CD2 4.07Å; P133-L141 HydrophobicContact CB-CB 4.26Å; P133-L141 HydrophobicContact CB-CD2 4.06Å; P133-L141 HydrophobicContact CB-CG 4.35Å; P133-L141 HydrophobicContact CG-CB 4.02Å; P133-L141 HydrophobicContact CG-CD2 4.1Å; P133-L141 HydrophobicContact CG-CG 3.94Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.19Å; L141-K144 PolarHBondContact O-N 3.08Å; L141-L145 PolarHBondContact O-N 2.96Å |
| 142 | Q | 95.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 81.6 Ų | 81.6 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.3 | -175 | 62.1 | 30.9 | 0 | 0 | 111.2 | P133 G138 L145 V146 | P133-Q142 HydrophobicContact CG-CB 4.26Å; G138-Q142 WeakPolarHBondContact O-CB 3.4Å; G138-Q142 PolarHBondContact O-N 3.03Å; Q142-L145 PolarHBondContact O-N 3.27Å; Q142-V146 WeakPolarHBondContact O-CG2 3.45Å; Q142-V146 PolarHBondContact O-N 3.4Å |
| 143 | R | 94.8 | Very high | 91.5 | Very high | 135 Ų | 135 | 84.3 Ų | 84.3 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.9 | -51.7 | 174.7 | -158.1 | -171.2 | -45 | 116.9 | 8.1 | 110.2 | E139 E140 L141 L145 V146 W147 | E139-R143 WeakPolarHBondContact O-CB 3.44Å; E139-R143 PolarHBondContact O-N 2.98Å; E140-R143 WeakPolarHBondContact O-CB 3.36Å; E140-R143 PolarHBondContact O-N 3.19Å; L141-R143 VanDerWaalsContact C-N 3.31Å; L141-R143 PolarHBondContact O-N 3.19Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 3.26Å; R143-V146 PolarHBondContact O-N 3.41Å; R143-V146 VanDerWaalsContact O-N 3.13Å; R143-W147 PolarHBondContact O-N 2.78Å |
| 144 | K | 95.8 | Very high | 91.7 | Very high | 118 Ų | 118 | 84.3 Ų | 84.3 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.8 | -41 | 178 | -72.1 | 175.6 | -176.4 | 167.1 | 0 | 112.3 | E140 L141 W147 E148 | E140-K144 WeakPolarHBondContact O-CG 3.39Å; E140-K144 PolarHBondContact O-N 3.08Å; E140-K144 WeakPolarHBondContact OE1-CE 3.4Å; E140-K144 IonicContact OE1-NZ 3.57Å; E140-K144 PolarHBondContact OE1-NZ 2.86Å; L141-K144 PolarHBondContact O-N 3.08Å; K144-W147 PolarHBondContact O-N 3.37Å; K144-E148 PolarHBondContact O-N 3.33Å |
| 145 | L | 96.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 177.4 | -174.4 | 66.6 | 0 | 0 | 0 | 112.3 | L130 L141 Q142 R143 W147 E148 D149 V155 | L130-L145 HydrophobicContact CD2-CD1 3.99Å; L130-L145 HydrophobicContact CD2-CD2 4.27Å; L141-L145 PolarHBondContact O-N 2.96Å; Q142-L145 PolarHBondContact O-N 3.27Å; R143-L145 VanDerWaalsContact C-N 3.26Å; R143-L145 PolarHBondContact O-N 3.26Å; L145-W147 VanDerWaalsContact C-N 3.33Å; L145-W147 PolarHBondContact O-N 2.98Å; L145-E148 WeakPolarHBondContact O-CB 3.36Å; L145-E148 PolarHBondContact O-N 3.2Å; L145-D149 WeakPolarHBondContact O-CB 3.48Å; L145-D149 PolarHBondContact O-N 3.45Å; L145-V155 HydrophobicContact CD1-CG1 4.31Å; L145-V155 HydrophobicContact CD1-CG2 4.3Å |
| 146 | V | 96.9 | Very high | 93 | Very high | 53 Ų | 53 | 76.6 Ų | 76.6 | 32% | 0.321 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.8 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | I76 Q142 R143 D149 Q150 | I76-V146 HydrophobicContact CD1-CG2 4.39Å; Q142-V146 WeakPolarHBondContact O-CG2 3.45Å; Q142-V146 PolarHBondContact O-N 3.4Å; R143-V146 PolarHBondContact O-N 3.41Å; R143-V146 VanDerWaalsContact O-N 3.13Å; V146-D149 PolarHBondContact O-N 3.15Å; V146-Q150 WeakPolarHBondContact O-CG 3.31Å; V146-Q150 PolarHBondContact O-N 2.88Å |
| 147 | W | 97.4 | Very high | 94.1 | Very high | 169 Ų | 169 | 68.8 Ų | 68.8 | 64% | 0.64 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 175 | -82.9 | 79.7 | 0 | 0 | 0 | 112.3 | R143 K144 L145 M151 | R143-W147 PolarHBondContact O-N 2.78Å; K144-W147 PolarHBondContact O-N 3.37Å; L145-W147 VanDerWaalsContact C-N 3.33Å; L145-W147 PolarHBondContact O-N 2.98Å; W147-M151 WeakPolarHBondContact O-CG 3.49Å |
| 148 | E | 98.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 62.8 Ų | 62.8 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 172 | 173.5 | -175.6 | -169.9 | 0 | 0 | 110.9 | Y100 R103 R107 K144 L145 Q150 M151 Y152 | Y100-E148 HydrophobicContact CD2-CB 4.23Å; Y100-E148 VanDerWaalsContact CD2-CD 3.44Å; Y100-E148 HydrophobicContact CD2-CG 3.97Å; Y100-E148 WeakPolarHBondContact CD2-OE2 3.5Å; Y100-E148 HydrophobicContact CE2-CB 4.06Å; Y100-E148 HydrophobicContact CE2-CG 3.77Å; R103-E148 IonicContact CZ-OE1 3.83Å; R103-E148 IonicContact CZ-OE2 2.82Å; R103-E148 VanDerWaalsContact CZ-OE2 3.3Å; R103-E148 VanDerWaalsContact NE-CD 3.34Å; R103-E148 IonicContact NE-OE1 2.72Å; R103-E148 PolarHBondContact NE-OE1 2.78Å; R103-E148 IonicContact NE-OE2 2.73Å; R103-E148 PolarHBondContact NE-OE2 3.15Å; R103-E148 VanDerWaalsContact NE-OE2 3.08Å; R103-E148 IonicContact NH2-OE1 2.7Å; R103-E148 IonicContact NH2-OE2 3.67Å; R103-E148 PolarHBondContact NH2-OE2 2.86Å; R107-E148 IonicContact CZ-OE1 2.93Å; R107-E148 IonicContact NH1-OE1 2.67Å; R107-E148 PolarHBondContact NH1-OE1 2.98Å; R107-E148 IonicContact NH2-OE1 3.42Å; R107-E148 PolarHBondContact NH2-OE1 3.04Å; K144-E148 PolarHBondContact O-N 3.33Å; L145-E148 WeakPolarHBondContact O-CB 3.36Å; L145-E148 PolarHBondContact O-N 3.2Å; E148-Q150 PolarHBondContact O-N 2.97Å; E148-M151 WeakPolarHBondContact O-CB 3.46Å; E148-M151 PolarHBondContact O-N 3.33Å; E148-Y152 HydrophobicContact CG-CD2 3.76Å; E148-Y152 HydrophobicContact CG-CE2 4.16Å; E148-Y152 VanDerWaalsContact O-CD2 3.24Å; E148-Y152 WeakPolarHBondContact O-CD2 3.26Å; E148-Y152 PolarHBondContact O-N 3.49Å |
| 149 | D | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 66.2 Ų | 66.2 | 9% | 0.086 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -42 | -177 | -176.3 | 58.9 | 0 | 0 | 0 | 112.7 | I76 H78 L145 V146 M151 Y152 N153 V155 | I76-D149 HydrophobicContact CD1-CB 4.19Å; I76-D149 HydrophobicContact CG2-CB 4.5Å; I76-D149 VanDerWaalsContact CG2-CG 3.5Å; I76-D149 WeakPolarHBondContact CG2-OD2 3.45Å; H78-D149 IonicContact CD2-OD1 3.97Å; H78-D149 PolarHBondContact CD2-OD1 3.26Å; H78-D149 IonicContact CE1-OD1 3.91Å; H78-D149 IonicContact CE1-OD2 2.66Å; H78-D149 PolarHBondContact CE1-OD2 3.08Å; H78-D149 IonicContact NE2-OD1 3.69Å; H78-D149 PolarHBondContact NE2-OD1 2.84Å; H78-D149 IonicContact NE2-OD2 3.72Å; H78-D149 PolarHBondContact NE2-OD2 3.16Å; L145-D149 WeakPolarHBondContact O-CB 3.48Å; L145-D149 PolarHBondContact O-N 3.45Å; V146-D149 PolarHBondContact O-N 3.15Å; D149-M151 PolarHBondContact O-N 3.46Å; D149-M151 VanDerWaalsContact O-N 3.09Å; D149-Y152 PolarHBondContact O-N 2.74Å; D149-Y152 VanDerWaalsContact O-N 3.17Å; D149-N153 WeakPolarHBondContact O-CA 3.47Å; D149-N153 PolarHBondContact O-N 2.82Å; D149-V155 HydrophobicContact CB-CB 4.32Å; D149-V155 WeakPolarHBondContact OD1-CB 3.12Å; D149-V155 PolarHBondContact OD1-N 3.28Å |
| 150 | Q | 97.2 | Very high | 96.5 | Very high | 121 Ų | 121 | 58.6 Ų | 58.6 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -56.3 | -28 | 174.5 | -74.3 | 173 | -6.5 | 0 | 0 | 113.2 | V146 E148 | V146-Q150 WeakPolarHBondContact O-CG 3.31Å; V146-Q150 PolarHBondContact O-N 2.88Å; E148-Q150 PolarHBondContact O-N 2.97Å |
| 151 | M | 97.1 | Very high | 96.7 | Very high | 143 Ų | 143 | 56.3 Ų | 56.3 | 70% | 0.704 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -85.9 | -35 | -179.6 | -64 | -66.5 | -71.6 | 0 | 0 | 112.7 | W147 E148 D149 | W147-M151 WeakPolarHBondContact O-CG 3.49Å; E148-M151 WeakPolarHBondContact O-CB 3.46Å; E148-M151 PolarHBondContact O-N 3.33Å; D149-M151 PolarHBondContact O-N 3.46Å; D149-M151 VanDerWaalsContact O-N 3.09Å |
| 152 | Y | 97.6 | Very high | 96.8 | Very high | 91 Ų | 91 | 56.3 Ų | 56.3 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -114.6 | -23 | -167.8 | -61.4 | -66.9 | 0 | 0 | 0 | 115 | E148 D149 D154 | E148-Y152 HydrophobicContact CG-CD2 3.76Å; E148-Y152 HydrophobicContact CG-CE2 4.16Å; E148-Y152 VanDerWaalsContact O-CD2 3.24Å; E148-Y152 WeakPolarHBondContact O-CD2 3.26Å; E148-Y152 PolarHBondContact O-N 3.49Å; D149-Y152 PolarHBondContact O-N 2.74Å; D149-Y152 VanDerWaalsContact O-N 3.17Å; Y152-D154 VanDerWaalsContact C-N 3.27Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.05Å; Y152-D154 PolarHBondContact O-N 3Å |
| 153 | N | 96.9 | Very high | 96.8 | Very high | 77 Ų | 77 | 56.1 Ų | 56.1 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | trans | 46.8 | 49.5 | -178.7 | -55.7 | -72.6 | 0 | 0 | 0 | 112.4 | H78 K81 D149 | H78-N153 PolarHBondContact CE1-OD1 3.26Å; K81-N153 PolarHBondContact NZ-O 3.17Å; D149-N153 WeakPolarHBondContact O-CA 3.47Å; D149-N153 PolarHBondContact O-N 2.82Å | ||
| 154 | D | 97.8 | Very high | 96.8 | Very high | 12 Ų | 12 | 52.6 Ų | 52.6 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | trans | -140.6 | 12.6 | -175 | 65.6 | 6.1 | 0 | 0 | 0 | 113.4 | R107 L127 F128 Y152 | R107-D154 IonicContact CZ-OD1 3.19Å; R107-D154 IonicContact CZ-OD2 3.86Å; R107-D154 IonicContact NE-OD1 2.71Å; R107-D154 PolarHBondContact NE-OD1 3.41Å; R107-D154 IonicContact NE-OD2 2.83Å; R107-D154 PolarHBondContact NE-OD2 2.54Å; R107-D154 IonicContact NH2-OD1 2.77Å; R107-D154 PolarHBondContact NH2-OD1 3.01Å; R107-D154 IonicContact NH2-OD2 3.08Å; L127-D154 CarbonylContact C-O 3.53Å; L127-D154 WeakPolarHBondContact CA-O 3.45Å; F128-D154 HydrophobicContact CD2-CB 4.41Å; F128-D154 WeakPolarHBondContact CE2-OD2 3.34Å; F128-D154 PolarHBondContact N-O 3.25Å; Y152-D154 VanDerWaalsContact C-N 3.27Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.05Å; Y152-D154 PolarHBondContact O-N 3Å | ||
| 155 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 132.4 | 175.2 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | I76 H78 F128 L130 L145 D149 Q157 | I76-V155 HydrophobicContact CB-CG1 4.48Å; I76-V155 HydrophobicContact CD1-CG1 4.1Å; I76-V155 HydrophobicContact CG2-CB 4.48Å; I76-V155 HydrophobicContact CG2-CG1 4.36Å; I76-V155 WeakPolarHBondContact CG2-O 3.41Å; H78-V155 PolarHBondContact CD2-O 2.91Å; F128-V155 HydrophobicContact CB-CG2 4.4Å; L130-V155 HydrophobicContact CD1-CB 4.42Å; L130-V155 HydrophobicContact CD1-CG1 3.63Å; L130-V155 HydrophobicContact CD1-CG2 4.27Å; L145-V155 HydrophobicContact CD1-CG1 4.31Å; L145-V155 HydrophobicContact CD1-CG2 4.3Å; D149-V155 HydrophobicContact CB-CB 4.32Å; D149-V155 WeakPolarHBondContact OD1-CB 3.12Å; D149-V155 PolarHBondContact OD1-N 3.28Å; V155-Q157 HydrophobicContact CG1-CB 4.44Å |
| 156 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.5 | 161.7 | 63.9 | 167.2 | 0 | 0 | 0 | 109.2 | I76 N77 F92 L127 F128 A129 L130 M173 W177 | I76-I156 WeakPolarHBondContact O-CA 3.39Å; N77-I156 WeakPolarHBondContact O-CG2 3.19Å; F92-I156 HydrophobicContact CD1-CD1 3.98Å; F92-I156 HydrophobicContact CE1-CD1 3.49Å; F92-I156 VanDerWaalsContact CE1-CD1 3.49Å; F92-I156 HydrophobicContact CZ-CD1 4.4Å; L127-I156 HydrophobicContact CD1-CG2 4.21Å; L127-I156 HydrophobicContact CD2-CG2 4.14Å; F128-I156 PolarHBondContact O-N 3.42Å; A129-I156 HydrophobicContact CB-CD1 4.33Å; A129-I156 HydrophobicContact CB-CG1 4.18Å; L130-I156 PolarHBondContact N-O 3.24Å; I156-M173 HydrophobicContact CD1-CE 4.09Å; I156-M173 HydrophobicContact CD1-CG 4.38Å; I156-M173 HydrophobicContact CD1-SD 4.47Å; I156-M173 HydrophobicContact CG1-CE 4.11Å; I156-W177 HydrophobicContact CD1-CB 4.26Å; I156-W177 HydrophobicContact CD1-CG 4.12Å |
| 157 | Q | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 130.9 | -176.5 | -168.7 | -176 | 36.3 | 0 | 0 | 110.8 | Y74 L75 I76 L130 G131 V155 | Y74-Q157 CarbonylContact C-O 3.4Å; Y74-Q157 WeakPolarHBondContact CA-O 3.08Å; L75-Q157 HydrophobicContact CB-CB 4.5Å; L75-Q157 HydrophobicContact CD1-CG 4.48Å; L75-Q157 PolarHBondContact N-O 3.24Å; I76-Q157 HydrophobicContact CB-CB 4Å; I76-Q157 HydrophobicContact CD1-CB 4.35Å; I76-Q157 HydrophobicContact CG1-CB 4.16Å; I76-Q157 PolarHBondContact N-O 3.05Å; I76-Q157 PolarHBondContact O-N 3.41Å; L130-Q157 HydrophobicContact CB-CG 4.46Å; L130-Q157 WeakPolarHBondContact O-CA 3.21Å; G131-Q157 PolarHBondContact O-NE2 3.02Å; V155-Q157 HydrophobicContact CG1-CB 4.44Å |
| 158 | Q | 97.2 | Very high | 96.6 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 157.3 | 169.1 | -82.5 | -175.4 | -17.6 | 0 | 0 | 111.9 | Q73 Y74 L130 F160 M173 | Q73-Q158 VanDerWaalsContact O-CA 3.3Å; Q73-Q158 WeakPolarHBondContact O-CA 3.46Å; Y74-Q158 HydrophobicContact CD1-CG 3.56Å; Y74-Q158 HydrophobicContact CD2-CG 4.41Å; Y74-Q158 HydrophobicContact CE1-CG 3.69Å; Y74-Q158 VanDerWaalsContact CE2-NE2 3.27Å; Y74-Q158 HydrophobicContact CG-CG 3.95Å; Y74-Q158 PolarHBondContact OH-NE2 3.3Å; L130-Q158 PolarHBondContact O-N 3.24Å; Q158-F160 HydrophobicContact CB-CD1 3.75Å; Q158-F160 HydrophobicContact CB-CE1 3.69Å; Q158-F160 PolarHBondContact O-N 3.34Å; Q158-M173 HydrophobicContact CB-CG 4.44Å; Q158-M173 HydrophobicContact CB-SD 3.63Å; Q158-M173 VanDerWaalsContact CD-CG 3.43Å; Q158-M173 HydrophobicContact CG-CG 3.83Å; Q158-M173 HydrophobicContact CG-SD 3.5Å; Q158-M173 VanDerWaalsContact CG-SD 3.5Å; Q158-M173 VanDerWaalsContact OE1-CB 3.28Å |
| 159 | D | 95.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 51.7 | -175.5 | -169.1 | 21.9 | 0 | 0 | 0 | 114.5 | Y72 Q73 L75 | Y72-D159 WeakPolarHBondContact CD1-O 3.18Å; Y72-D159 WeakPolarHBondContact CE1-O 3.3Å; Q73-D159 PolarHBondContact O-N 3.18Å; L75-D159 HydrophobicContact CD1-CB 4.18Å; L75-D159 HydrophobicContact CD2-CB 4.21Å; L75-D159 HydrophobicContact CG-CB 4.15Å |
| 160 | F | 95.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 142.8 | 168.8 | 64.2 | -99.1 | 0 | 0 | 0 | 109.6 | Y72 G131 T132 Q158 D162 N166 L169 K170 M173 | Y72-F160 HydrophobicContact CD1-CB 3.78Å; Y72-F160 HydrophobicContact CD2-CB 4.42Å; Y72-F160 HydrophobicContact CD2-CD1 4.41Å; Y72-F160 HydrophobicContact CE1-CB 3.64Å; Y72-F160 HydrophobicContact CE2-CB 4.34Å; Y72-F160 HydrophobicContact CG-CB 4.14Å; Y72-F160 HydrophobicContact CG-CD1 4.26Å; G131-F160 CarbonylContact C-O 3.46Å; G131-F160 WeakPolarHBondContact CA-O 3.32Å; T132-F160 PolarHBondContact N-O 3.37Å; T132-F160 VanDerWaalsContact OG1-C 3.3Å; T132-F160 PolarHBondContact OG1-O 3.15Å; Q158-F160 HydrophobicContact CB-CD1 3.75Å; Q158-F160 HydrophobicContact CB-CE1 3.69Å; Q158-F160 PolarHBondContact O-N 3.34Å; F160-D162 PolarHBondContact O-N 3.08Å; F160-N166 HydrophobicContact CD2-CB 4.05Å; F160-N166 HydrophobicContact CE2-CB 4.47Å; F160-L169 HydrophobicContact CB-CD1 3.93Å; F160-L169 HydrophobicContact CD1-CB 4.06Å; F160-L169 HydrophobicContact CD2-CB 4.2Å; F160-L169 HydrophobicContact CD2-CD1 4.39Å; F160-L169 HydrophobicContact CE1-CB 4.15Å; F160-L169 HydrophobicContact CE2-CB 4.32Å; F160-L169 HydrophobicContact CG-CB 4.1Å; F160-L169 HydrophobicContact CG-CD1 4.08Å; F160-L169 HydrophobicContact CZ-CB 4.32Å; F160-K170 HydrophobicContact CE2-CB 4.17Å; F160-K170 HydrophobicContact CZ-CB 3.76Å; F160-K170 HydrophobicContact CZ-CG 4.41Å; F160-M173 HydrophobicContact CE1-CB 4.49Å; F160-M173 HydrophobicContact CE1-SD 4.2Å |
| 161 | V | 95.3 | Very high | 96.6 | Very high | 55 Ų | 55 | 41.2 Ų | 41.2 | 33% | 0.333 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 125.2 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | T132 S163 N166 | T132-V161 WeakPolarHBondContact OG1-CA 3.17Å; T132-V161 PolarHBondContact OG1-N 3.46Å; V161-S163 PolarHBondContact O-N 3.4Å; V161-S163 VanDerWaalsContact O-N 3.16Å; V161-N166 WeakPolarHBondContact O-CB 3.31Å; V161-N166 PolarHBondContact O-ND2 2.93Å |
| 162 | D | 95.8 | Very high | 96.6 | Very high | 30 Ų | 30 | 35.9 Ų | 35.9 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | trans | -69.3 | 111 | 177.2 | -150.5 | -36 | 0 | 0 | 0 | 109.7 | P97 G131 T132 F160 K170 | P97-D162 HydrophobicContact CG-CB 4.27Å; G131-D162 PolarHBondContact N-OD2 3.4Å; T132-D162 WeakPolarHBondContact O-CB 3.35Å; T132-D162 PolarHBondContact O-N 2.91Å; F160-D162 PolarHBondContact O-N 3.08Å; D162-K170 IonicContact OD1-NZ 2.89Å; D162-K170 PolarHBondContact OD1-NZ 3.01Å; D162-K170 WeakPolarHBondContact OD2-CE 3.25Å; D162-K170 IonicContact OD2-NZ 3.12Å; D162-K170 PolarHBondContact OD2-NZ 2.87Å | ||
| 163 | S | 94.8 | Very high | 96.6 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -155 | 160.1 | 179.4 | 73.2 | 0 | 0 | 0 | 0 | 110.3 | V161 Y165 N166 L167 | V161-S163 PolarHBondContact O-N 3.4Å; V161-S163 VanDerWaalsContact O-N 3.16Å; S163-Y165 PolarHBondContact O-N 2.9Å; S163-N166 PolarHBondContact O-N 2.88Å; S163-N166 PolarHBondContact OG-N 3.09Å; S163-N166 PolarHBondContact OG-ND2 3Å; S163-L167 PolarHBondContact O-N 3.26Å |
| 164 | F | 94.1 | Very high | 96.6 | Very high | 61 Ų | 61 | 28 Ų | 28 | 27% | 0.268 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -53.4 | -38.9 | 174.5 | -178.4 | -94.9 | 0 | 0 | 0 | 112.4 | N166 L167 K235 Y236 Y279 I280 | F164-N166 PolarHBondContact O-N 3.02Å; F164-L167 HydrophobicContact CD2-CD1 3.62Å; F164-L167 HydrophobicContact CE2-CD1 3.81Å; F164-L167 HydrophobicContact CG-CD1 4.31Å; F164-L167 VanDerWaalsContact O-CG 3.29Å; F164-L167 WeakPolarHBondContact O-CG 3.48Å; F164-L167 PolarHBondContact O-N 2.99Å; F164-K235 WeakPolarHBondContact CE1-O 3.1Å; F164-Y236 HydrophobicContact CE2-CD1 4.39Å; F164-Y236 HydrophobicContact CE2-CE1 4.08Å; F164-Y236 AromaticContact CZ-CD1 3.69Å; F164-Y236 HydrophobicContact CZ-CD1 3.69Å; F164-Y236 AromaticContact CZ-CE1 3.84Å; F164-Y236 HydrophobicContact CZ-CE1 3.84Å; F164-Y279 HydrophobicContact CD1-CD2 4.41Å; F164-Y279 AromaticContact CE1-CD2 3.96Å; F164-Y279 HydrophobicContact CE1-CD2 3.96Å; F164-Y279 AromaticContact CE1-CE2 3.95Å; F164-Y279 HydrophobicContact CE1-CE2 3.95Å; F164-I280 HydrophobicContact CE1-CD1 4.11Å; F164-I280 HydrophobicContact CZ-CD1 3.98Å |
| 165 | Y | 94.8 | Very high | 96.6 | Very high | 138 Ų | 138 | 27.6 Ų | 27.6 | 54% | 0.541 | 14% | 0.139 | S | C | . | . | G | 310 helix | trans | -74.5 | -9.5 | -179.8 | -60.5 | -73.9 | 0 | 0 | 0 | 113.9 | S163 Y279 | S163-Y165 PolarHBondContact O-N 2.9Å; Y165-Y279 AromaticContact CD1-CD1 3.9Å; Y165-Y279 HydrophobicContact CD1-CD1 3.9Å; Y165-Y279 AromaticContact CD1-CD2 3.83Å; Y165-Y279 HydrophobicContact CD1-CD2 3.83Å; Y165-Y279 AromaticContact CD1-CE1 3.8Å; Y165-Y279 HydrophobicContact CD1-CE1 3.8Å; Y165-Y279 AromaticContact CD1-CE2 3.78Å; Y165-Y279 HydrophobicContact CD1-CE2 3.78Å; Y165-Y279 AromaticContact CD1-CG 3.88Å; Y165-Y279 HydrophobicContact CD1-CG 3.88Å; Y165-Y279 AromaticContact CD1-CZ 3.73Å; Y165-Y279 HydrophobicContact CE1-CD2 4.38Å; Y165-Y279 HydrophobicContact CE1-CE1 4.14Å; Y165-Y279 AromaticContact CE1-CE2 3.87Å; Y165-Y279 HydrophobicContact CE1-CE2 3.87Å; Y165-Y279 AromaticContact CE1-CZ 3.7Å; Y165-Y279 WeakPolarHBondContact O-CB 3.43Å |
| 166 | N | 96.2 | Very high | 96.5 | Very high | 45 Ų | 45 | 29 Ų | 29 | 24% | 0.241 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -110.1 | 12.6 | 176.8 | -71.8 | -23.9 | 0 | 0 | 0 | 112.6 | F160 V161 S163 F164 T168 L169 K170 | F160-N166 HydrophobicContact CD2-CB 4.05Å; F160-N166 HydrophobicContact CE2-CB 4.47Å; V161-N166 WeakPolarHBondContact O-CB 3.31Å; V161-N166 PolarHBondContact O-ND2 2.93Å; S163-N166 PolarHBondContact O-N 2.88Å; S163-N166 PolarHBondContact OG-N 3.09Å; S163-N166 PolarHBondContact OG-ND2 3Å; F164-N166 PolarHBondContact O-N 3.02Å; N166-T168 PolarHBondContact O-N 3.19Å; N166-L169 HydrophobicContact CB-CD1 4.09Å; N166-L169 WeakPolarHBondContact O-CB 3.41Å; N166-L169 PolarHBondContact O-N 2.94Å; N166-K170 PolarHBondContact O-N 2.86Å; N166-K170 VanDerWaalsContact O-N 3.16Å |
| 167 | L | 96.8 | Very high | 96.5 | Very high | 28 Ų | 28 | 29 Ų | 29 | 15% | 0.147 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.2 | -34 | 178.1 | -74.7 | 174.2 | 0 | 0 | 0 | 112.6 | S163 F164 L169 K170 L171 D281 | S163-L167 PolarHBondContact O-N 3.26Å; F164-L167 HydrophobicContact CD2-CD1 3.62Å; F164-L167 HydrophobicContact CE2-CD1 3.81Å; F164-L167 HydrophobicContact CG-CD1 4.31Å; F164-L167 VanDerWaalsContact O-CG 3.29Å; F164-L167 WeakPolarHBondContact O-CG 3.48Å; F164-L167 PolarHBondContact O-N 2.99Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.46Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.45Å; L167-K170 VanDerWaalsContact O-N 3.17Å; L167-L171 PolarHBondContact O-N 2.85Å; L167-D281 HydrophobicContact CB-CB 3.93Å |
| 168 | T | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.3 | -33.3 | 175.2 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | N166 K170 L171 L172 L278 Y279 D281 F284 | N166-T168 PolarHBondContact O-N 3.19Å; T168-K170 VanDerWaalsContact C-N 3.34Å; T168-L171 WeakPolarHBondContact O-CB 3.24Å; T168-L171 PolarHBondContact O-N 3.25Å; T168-L172 HydrophobicContact CG2-CD1 4.49Å; T168-L172 VanDerWaalsContact O-CG 3.24Å; T168-L172 WeakPolarHBondContact O-CG 3.14Å; T168-L172 PolarHBondContact O-N 2.96Å; T168-L278 WeakPolarHBondContact CB-O 3.45Å; T168-L278 PolarHBondContact OG1-O 3.12Å; T168-Y279 PolarHBondContact OG1-O 3.43Å; T168-D281 WeakPolarHBondContact OG1-CA 3.38Å; T168-F284 HydrophobicContact CG2-CB 4.17Å; T168-F284 HydrophobicContact CG2-CD1 3.69Å; T168-F284 HydrophobicContact CG2-CD2 4.27Å; T168-F284 HydrophobicContact CG2-CE1 4.13Å; T168-F284 HydrophobicContact CG2-CG 3.76Å |
| 169 | L | 96.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 31 Ų | 31 | 14% | 0.141 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 171.9 | -60.4 | 179.2 | 0 | 0 | 0 | 111.3 | Y72 F160 N166 L167 L171 L172 M173 | Y72-L169 HydrophobicContact CD2-CD1 4.43Å; Y72-L169 HydrophobicContact CD2-CD2 4.42Å; Y72-L169 HydrophobicContact CE2-CD1 3.56Å; Y72-L169 HydrophobicContact CE2-CD2 3.76Å; Y72-L169 HydrophobicContact CE2-CG 4.21Å; F160-L169 HydrophobicContact CB-CD1 3.93Å; F160-L169 HydrophobicContact CD1-CB 4.06Å; F160-L169 HydrophobicContact CD2-CB 4.2Å; F160-L169 HydrophobicContact CD2-CD1 4.39Å; F160-L169 HydrophobicContact CE1-CB 4.15Å; F160-L169 HydrophobicContact CE2-CB 4.32Å; F160-L169 HydrophobicContact CG-CB 4.1Å; F160-L169 HydrophobicContact CG-CD1 4.08Å; F160-L169 HydrophobicContact CZ-CB 4.32Å; N166-L169 HydrophobicContact CB-CD1 4.09Å; N166-L169 WeakPolarHBondContact O-CB 3.41Å; N166-L169 PolarHBondContact O-N 2.94Å; L167-L169 VanDerWaalsContact C-N 3.32Å; L167-L169 PolarHBondContact O-N 3.46Å; L169-L171 VanDerWaalsContact C-N 3.34Å; L169-L171 PolarHBondContact O-N 3.38Å; L169-L172 HydrophobicContact CD2-CD1 4.47Å; L169-L172 PolarHBondContact O-N 3.46Å; L169-M173 WeakPolarHBondContact O-CB 3.22Å; L169-M173 PolarHBondContact O-N 3.2Å |
| 170 | K | 97.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.8 | -174.1 | 174.4 | -75.2 | -178.4 | 0 | 112.1 | K94 T95 A129 F160 D162 N166 L167 T168 M173 Q174 | K94-K170 HydrophobicContact CB-CD 4.1Å; K94-K170 HydrophobicContact CD-CD 4.46Å; K94-K170 HydrophobicContact CG-CD 3.94Å; K94-K170 HydrophobicContact CG-CG 4.37Å; T95-K170 PolarHBondContact O-NZ 3.14Å; A129-K170 HydrophobicContact CB-CG 4.27Å; A129-K170 WeakPolarHBondContact O-CD 3.45Å; A129-K170 VanDerWaalsContact O-CE 3.27Å; A129-K170 WeakPolarHBondContact O-CE 3.35Å; A129-K170 PolarHBondContact O-NZ 3.45Å; F160-K170 HydrophobicContact CE2-CB 4.17Å; F160-K170 HydrophobicContact CZ-CB 3.76Å; F160-K170 HydrophobicContact CZ-CG 4.41Å; D162-K170 IonicContact OD1-NZ 2.89Å; D162-K170 PolarHBondContact OD1-NZ 3.01Å; D162-K170 WeakPolarHBondContact OD2-CE 3.25Å; D162-K170 IonicContact OD2-NZ 3.12Å; D162-K170 PolarHBondContact OD2-NZ 2.87Å; N166-K170 PolarHBondContact O-N 2.86Å; N166-K170 VanDerWaalsContact O-N 3.16Å; L167-K170 WeakPolarHBondContact O-CB 3.42Å; L167-K170 PolarHBondContact O-N 3.45Å; L167-K170 VanDerWaalsContact O-N 3.17Å; T168-K170 VanDerWaalsContact C-N 3.34Å; K170-M173 HydrophobicContact CG-CE 4.22Å; K170-M173 WeakPolarHBondContact O-CB 3.39Å; K170-M173 PolarHBondContact O-N 2.92Å; K170-Q174 WeakPolarHBondContact O-CG 3.38Å; K170-Q174 PolarHBondContact O-N 3.04Å; K170-Q174 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.5 | -53.4 | 172.2 | -174.3 | 78.2 | 0 | 0 | 0 | 111 | L167 T168 L169 M173 Q174 F175 Y257 D281 F284 M285 | L167-L171 PolarHBondContact O-N 2.85Å; T168-L171 WeakPolarHBondContact O-CB 3.24Å; T168-L171 PolarHBondContact O-N 3.25Å; L169-L171 VanDerWaalsContact C-N 3.34Å; L169-L171 PolarHBondContact O-N 3.38Å; L171-M173 PolarHBondContact O-N 3.22Å; L171-Q174 WeakPolarHBondContact O-CB 3.21Å; L171-Q174 PolarHBondContact O-N 3.28Å; L171-F175 HydrophobicContact CD1-CD2 4.14Å; L171-F175 HydrophobicContact CD1-CE2 3.6Å; L171-F175 HydrophobicContact CG-CD2 3.96Å; L171-F175 HydrophobicContact CG-CE2 3.84Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.15Å; L171-F175 VanDerWaalsContact O-N 3.12Å; L171-Y257 WeakPolarHBondContact CD1-OH 3.41Å; L171-D281 HydrophobicContact CB-CB 4.18Å; L171-D281 HydrophobicContact CD2-CB 4.28Å; L171-D281 WeakPolarHBondContact CD2-O 3.26Å; L171-F284 HydrophobicContact CD2-CD1 4Å; L171-M285 HydrophobicContact CD2-CB 4.19Å |
| 172 | L | 97.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.1 | -39.1 | 178.6 | -67.8 | 174.1 | 0 | 0 | 0 | 111.9 | T168 L169 Q174 F175 S176 S271 F284 | T168-L172 HydrophobicContact CG2-CD1 4.49Å; T168-L172 VanDerWaalsContact O-CG 3.24Å; T168-L172 WeakPolarHBondContact O-CG 3.14Å; T168-L172 PolarHBondContact O-N 2.96Å; L169-L172 HydrophobicContact CD2-CD1 4.47Å; L169-L172 PolarHBondContact O-N 3.46Å; L172-Q174 PolarHBondContact O-N 2.99Å; L172-F175 PolarHBondContact O-N 3.24Å; L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.45Å; L172-S271 VanDerWaalsContact CD2-CB 3.45Å; L172-S271 WeakPolarHBondContact CD2-OG 3.37Å; L172-F284 HydrophobicContact CD2-CE1 3.91Å |
| 173 | M | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 174.2 | 179.6 | -179.2 | 68.8 | 0 | 0 | 112.1 | Y74 A129 I156 Q158 F160 L169 K170 L171 W177 | Y74-M173 HydrophobicContact CE1-CG 3.78Å; Y74-M173 HydrophobicContact CE1-SD 4.23Å; Y74-M173 PolarHBondContact OH-O 3.02Å; A129-M173 HydrophobicContact CB-CE 3.61Å; I156-M173 HydrophobicContact CD1-CE 4.09Å; I156-M173 HydrophobicContact CD1-CG 4.38Å; I156-M173 HydrophobicContact CD1-SD 4.47Å; I156-M173 HydrophobicContact CG1-CE 4.11Å; Q158-M173 HydrophobicContact CB-CG 4.44Å; Q158-M173 HydrophobicContact CB-SD 3.63Å; Q158-M173 VanDerWaalsContact CD-CG 3.43Å; Q158-M173 HydrophobicContact CG-CG 3.83Å; Q158-M173 HydrophobicContact CG-SD 3.5Å; Q158-M173 VanDerWaalsContact CG-SD 3.5Å; Q158-M173 VanDerWaalsContact OE1-CB 3.28Å; F160-M173 HydrophobicContact CE1-CB 4.49Å; F160-M173 HydrophobicContact CE1-SD 4.2Å; L169-M173 WeakPolarHBondContact O-CB 3.22Å; L169-M173 PolarHBondContact O-N 3.2Å; K170-M173 HydrophobicContact CG-CE 4.22Å; K170-M173 WeakPolarHBondContact O-CB 3.39Å; K170-M173 PolarHBondContact O-N 2.92Å; L171-M173 PolarHBondContact O-N 3.22Å; M173-W177 VanDerWaalsContact O-CB 3.29Å; M173-W177 WeakPolarHBondContact O-CB 3.44Å; M173-W177 PolarHBondContact O-N 3.06Å |
| 174 | Q | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -48.9 | 179.7 | -67.7 | 167.3 | -35.7 | 0 | 0 | 111.4 | F92 K94 A129 K170 L171 L172 W177 A178 T190 | F92-Q174 HydrophobicContact CB-CG 3.9Å; F92-Q174 VanDerWaalsContact CB-NE2 3.25Å; F92-Q174 HydrophobicContact CD1-CB 4.48Å; F92-Q174 HydrophobicContact CD1-CG 4.07Å; F92-Q174 HydrophobicContact CD2-CB 3.75Å; F92-Q174 HydrophobicContact CD2-CG 4.02Å; F92-Q174 HydrophobicContact CE2-CB 3.95Å; F92-Q174 WeakPolarHBondContact CE2-O 3.4Å; F92-Q174 HydrophobicContact CG-CB 4.01Å; F92-Q174 HydrophobicContact CG-CG 3.74Å; F92-Q174 HydrophobicContact CZ-CB 4.4Å; K94-Q174 VanDerWaalsContact CG-NE2 3.34Å; A129-Q174 HydrophobicContact CB-CG 3.93Å; K170-Q174 WeakPolarHBondContact O-CG 3.38Å; K170-Q174 PolarHBondContact O-N 3.04Å; K170-Q174 VanDerWaalsContact O-N 3.15Å; L171-Q174 WeakPolarHBondContact O-CB 3.21Å; L171-Q174 PolarHBondContact O-N 3.28Å; L172-Q174 PolarHBondContact O-N 2.99Å; Q174-W177 PolarHBondContact O-N 3.48Å; Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 3.33Å; Q174-T190 PolarHBondContact NE2-OG1 3.3Å |
| 175 | F | 97.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.9 | -40.4 | 178.9 | -79.2 | -84.1 | 0 | 0 | 0 | 112.3 | L171 L172 A178 N179 I259 A264 V267 Y268 M285 | L171-F175 HydrophobicContact CD1-CD2 4.14Å; L171-F175 HydrophobicContact CD1-CE2 3.6Å; L171-F175 HydrophobicContact CG-CD2 3.96Å; L171-F175 HydrophobicContact CG-CE2 3.84Å; L171-F175 WeakPolarHBondContact O-CD2 3.35Å; L171-F175 PolarHBondContact O-N 3.15Å; L171-F175 VanDerWaalsContact O-N 3.12Å; L172-F175 PolarHBondContact O-N 3.24Å; F175-A178 PolarHBondContact O-N 3.05Å; F175-N179 WeakPolarHBondContact O-CB 3.23Å; F175-N179 PolarHBondContact O-N 3.28Å; F175-I259 HydrophobicContact CE1-CD1 3.42Å; F175-I259 VanDerWaalsContact CE1-CD1 3.42Å; F175-I259 HydrophobicContact CZ-CD1 3.78Å; F175-A264 HydrophobicContact CD1-CB 4.38Å; F175-A264 WeakPolarHBondContact CD1-O 3.46Å; F175-A264 HydrophobicContact CE1-CB 4.31Å; F175-V267 HydrophobicContact CD1-CB 4.07Å; F175-V267 HydrophobicContact CD1-CG1 3.75Å; F175-V267 HydrophobicContact CD2-CG1 4.36Å; F175-V267 HydrophobicContact CE1-CB 3.76Å; F175-V267 HydrophobicContact CE1-CG1 3.47Å; F175-V267 VanDerWaalsContact CE1-CG1 3.47Å; F175-V267 HydrophobicContact CE1-CG2 4.48Å; F175-V267 HydrophobicContact CE2-CG1 4.15Å; F175-V267 HydrophobicContact CG-CG1 4.19Å; F175-V267 HydrophobicContact CZ-CB 4.39Å; F175-V267 HydrophobicContact CZ-CG1 3.72Å; F175-Y268 HydrophobicContact CB-CD2 4.35Å; F175-M285 HydrophobicContact CE1-SD 4.39Å; F175-M285 HydrophobicContact CE2-SD 4Å; F175-M285 HydrophobicContact CZ-CE 3.96Å; F175-M285 HydrophobicContact CZ-SD 3.54Å; F175-M285 VanDerWaalsContact CZ-SD 3.54Å |
| 176 | S | 96.8 | Very high | 97 | Very high | 28 Ų | 28 | 30.5 Ų | 30.5 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 174.3 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | L172 T180 Y268 | L172-S176 WeakPolarHBondContact O-CB 3.2Å; L172-S176 PolarHBondContact O-N 3.45Å; S176-T180 VanDerWaalsContact O-CB 3.27Å; S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.92Å; S176-T180 PolarHBondContact O-OG1 3.33Å; S176-Y268 VanDerWaalsContact CA-CE2 3.47Å |
| 177 | W | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.8 | -47.6 | 179.3 | -166.9 | 100.1 | 0 | 0 | 0 | 111 | Y74 N77 K81 C82 L90 F92 L127 I156 M173 Q174 N179 T180 Y181 C182 | Y74-W177 AromaticContact CE1-CD1 3.87Å; N77-W177 PolarHBondContact O-NE1 3.01Å; N77-W177 PolarHBondContact OD1-NE1 2.87Å; K81-W177 HydrophobicContact CB-CH2 4.36Å; K81-W177 HydrophobicContact CB-CZ2 4.43Å; C82-W177 HydrophobicContact CB-CH2 3.83Å; C82-W177 HydrophobicContact CB-CZ3 4.14Å; L90-W177 HydrophobicContact CD1-CZ3 3.89Å; L90-W177 HydrophobicContact CD2-CE3 4.19Å; L90-W177 HydrophobicContact CD2-CZ3 4.08Å; F92-W177 HydrophobicContact CE1-CD2 4.42Å; F92-W177 HydrophobicContact CE1-CE3 4.19Å; F92-W177 HydrophobicContact CZ-CB 4.17Å; F92-W177 HydrophobicContact CZ-CD2 4.18Å; F92-W177 AromaticContact CZ-CE3 3.67Å; F92-W177 HydrophobicContact CZ-CE3 3.67Å; F92-W177 HydrophobicContact CZ-CG 4.41Å; F92-W177 HydrophobicContact CZ-CZ3 4.44Å; L127-W177 HydrophobicContact CD1-CD2 4.05Å; L127-W177 HydrophobicContact CD1-CE3 3.87Å; L127-W177 HydrophobicContact CD1-CH2 3.38Å; L127-W177 HydrophobicContact CD1-CZ2 3.56Å; L127-W177 HydrophobicContact CD1-CZ3 3.52Å; I156-W177 HydrophobicContact CD1-CB 4.26Å; I156-W177 HydrophobicContact CD1-CG 4.12Å; M173-W177 VanDerWaalsContact O-CB 3.29Å; M173-W177 WeakPolarHBondContact O-CB 3.44Å; M173-W177 PolarHBondContact O-N 3.06Å; Q174-W177 PolarHBondContact O-N 3.48Å; W177-N179 PolarHBondContact O-N 2.94Å; W177-T180 PolarHBondContact O-N 3.26Å; W177-Y181 HydrophobicContact CB-CD2 4.4Å; W177-Y181 AromaticContact CD1-CD2 3.46Å; W177-Y181 VanDerWaalsContact CD1-CD2 3.46Å; W177-Y181 AromaticContact CD1-CE2 3.82Å; W177-Y181 AromaticContact CD2-CD2 3.87Å; W177-Y181 HydrophobicContact CD2-CD2 3.87Å; W177-Y181 HydrophobicContact CD2-CG 4.47Å; W177-Y181 AromaticContact CE2-CD2 3.77Å; W177-Y181 AromaticContact CG-CD2 3.69Å; W177-Y181 HydrophobicContact CG-CD2 3.69Å; W177-Y181 HydrophobicContact CG-CE2 4.36Å; W177-Y181 AromaticContact NE1-CD2 3.51Å; W177-Y181 PolarHBondContact O-N 3.39Å; W177-C182 HydrophobicContact CE3-CB 4.25Å; W177-C182 HydrophobicContact CH2-CB 4.44Å; W177-C182 HydrophobicContact CZ3-CB 3.62Å |
| 178 | A | 97.6 | Very high | 97.2 | Very high | 7 Ų | 7 | 27.4 Ų | 27.4 | 6% | 0.058 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.1 | -50.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L90 F92 Q174 F175 T180 C182 L188 | L90-A178 HydrophobicContact CD2-CB 3.67Å; F92-A178 HydrophobicContact CE2-CB 4.15Å; Q174-A178 WeakPolarHBondContact O-CB 3.34Å; Q174-A178 PolarHBondContact O-N 3.33Å; F175-A178 PolarHBondContact O-N 3.05Å; A178-T180 VanDerWaalsContact C-N 3.31Å; A178-T180 PolarHBondContact O-N 3.3Å; A178-C182 CarbonylContact O-C 3.57Å; A178-C182 VanDerWaalsContact O-CA 3.28Å; A178-C182 WeakPolarHBondContact O-CA 3.28Å; A178-C182 PolarHBondContact O-N 3.13Å; A178-L188 HydrophobicContact CB-CD1 3.55Å |
| 179 | N | 96.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 27.3 Ų | 27.3 | 30% | 0.299 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.5 | -32.1 | -178.2 | -168 | 64.3 | 0 | 0 | 0 | 112.8 | F175 W177 Y268 | F175-N179 WeakPolarHBondContact O-CB 3.23Å; F175-N179 PolarHBondContact O-N 3.28Å; W177-N179 PolarHBondContact O-N 2.94Å; N179-Y268 HydrophobicContact CB-CD1 3.94Å; N179-Y268 HydrophobicContact CB-CE1 4.4Å; N179-Y268 HydrophobicContact CB-CG 4.08Å; N179-Y268 VanDerWaalsContact ND2-CD1 3.28Å; N179-Y268 WeakPolarHBondContact ND2-CD1 3.38Å; N179-Y268 WeakPolarHBondContact ND2-CE1 3.44Å |
| 180 | T | 95.7 | Very high | 97.4 | Very high | 76 Ų | 76 | 26 Ų | 26 | 47% | 0.466 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -84.6 | -42.5 | -176.7 | -53.3 | 0 | 0 | 0 | 0 | 112.7 | S176 W177 A178 | S176-T180 VanDerWaalsContact O-CB 3.27Å; S176-T180 WeakPolarHBondContact O-CB 3.44Å; S176-T180 PolarHBondContact O-N 2.92Å; S176-T180 PolarHBondContact O-OG1 3.33Å; W177-T180 PolarHBondContact O-N 3.26Å; A178-T180 VanDerWaalsContact C-N 3.31Å; A178-T180 PolarHBondContact O-N 3.3Å |
| 181 | Y | 96.5 | Very high | 97.4 | Very high | 68 Ų | 68 | 25.8 Ų | 25.8 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -115 | -10.8 | -167.4 | -56.2 | -62.9 | 0 | 0 | 0 | 113.8 | Y74 N77 K79 W177 | Y74-Y181 HydrophobicContact CE2-CE2 4.43Å; N77-Y181 PolarHBondContact ND2-OH 3.23Å; N77-Y181 VanDerWaalsContact ND2-OH 3.08Å; N77-Y181 WeakPolarHBondContact OD1-CE2 3.36Å; K79-Y181 HydrophobicContact CB-CD1 3.63Å; K79-Y181 HydrophobicContact CB-CE1 3.66Å; K79-Y181 HydrophobicContact CB-CG 4.24Å; W177-Y181 HydrophobicContact CB-CD2 4.4Å; W177-Y181 AromaticContact CD1-CD2 3.46Å; W177-Y181 VanDerWaalsContact CD1-CD2 3.46Å; W177-Y181 AromaticContact CD1-CE2 3.82Å; W177-Y181 AromaticContact CD2-CD2 3.87Å; W177-Y181 HydrophobicContact CD2-CD2 3.87Å; W177-Y181 HydrophobicContact CD2-CG 4.47Å; W177-Y181 AromaticContact CE2-CD2 3.77Å; W177-Y181 AromaticContact CG-CD2 3.69Å; W177-Y181 HydrophobicContact CG-CD2 3.69Å; W177-Y181 HydrophobicContact CG-CE2 4.36Å; W177-Y181 AromaticContact NE1-CD2 3.51Å; W177-Y181 PolarHBondContact O-N 3.39Å |
| 182 | C | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | trans | -145.1 | 43.2 | -175.8 | -158.1 | 0 | 0 | 0 | 0 | 113.6 | C82 L90 W177 A178 H184 A185 | C82-C182 HydrophobicContact CB-CB 3.52Å; C82-C182 WeakPolarHBondContact CB-SG 3.43Å; C82-C182 VanDerWaalsContact SG-CA 3.5Å; C82-C182 WeakPolarHBondContact SG-CB 3.45Å; C82-C182 CovalentContact SG-SG 2.02Å; C82-C182 PolarHBondContact SG-SG 3.06Å; L90-C182 HydrophobicContact CD2-CB 3.87Å; W177-C182 HydrophobicContact CE3-CB 4.25Å; W177-C182 HydrophobicContact CH2-CB 4.44Å; W177-C182 HydrophobicContact CZ3-CB 3.62Å; A178-C182 CarbonylContact O-C 3.57Å; A178-C182 VanDerWaalsContact O-CA 3.28Å; A178-C182 WeakPolarHBondContact O-CA 3.28Å; A178-C182 PolarHBondContact O-N 3.13Å; C182-H184 PolarHBondContact O-N 3.28Å; C182-A185 PolarHBondContact O-N 2.94Å | ||
| 183 | P | 95.5 | Very high | 97.5 | Very high | 91 Ų | 91 | 26.4 Ų | 26.4 | 59% | 0.591 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -10.7 | -172.7 | 29.1 | -37.6 | 0 | 0 | 0 | 114.3 | ||
| 184 | H | 95.9 | Very high | 97.5 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 28% | 0.278 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -3.2 | -178.7 | 56.5 | -85.3 | 0 | 0 | 0 | 113.4 | C82 A84 Q85 C182 K186 | C82-H184 PolarHBondContact O-CE1 3.23Å; C82-H184 PolarHBondContact O-NE2 3.4Å; C82-H184 VanDerWaalsContact SG-CE1 3.52Å; C82-H184 PolarHBondContact SG-NE2 2.97Å; C82-H184 VanDerWaalsContact SG-NE2 3.36Å; A84-H184 PolarHBondContact O-NE2 3.24Å; Q85-H184 PolarHBondContact O-CD2 2.84Å; C182-H184 PolarHBondContact O-N 3.28Å; H184-K186 PolarHBondContact O-N 3.31Å |
| 185 | A | 97.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 27.8 Ų | 27.8 | 7% | 0.074 | 15% | 0.149 | C | C | . | . | trans | -60.5 | 132 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | V87 L90 C182 | V87-A185 HydrophobicContact CB-CB 4.33Å; V87-A185 HydrophobicContact CG1-CB 4.02Å; V87-A185 WeakPolarHBondContact O-CA 3.5Å; L90-A185 HydrophobicContact CB-CB 3.96Å; C182-A185 PolarHBondContact O-N 2.94Å | ||
| 186 | K | 98.2 | Very high | 97.5 | Very high | 94 Ų | 94 | 27.6 Ų | 27.6 | 41% | 0.409 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -69.9 | -41 | -177.9 | -55.1 | -60.5 | -176.2 | -178.8 | 0 | 112.1 | V87 L88 H184 E210 G261 | V87-K186 PolarHBondContact O-N 3.21Å; L88-K186 HydrophobicContact CD1-CB 4.4Å; L88-K186 WeakPolarHBondContact O-CB 3.36Å; H184-K186 PolarHBondContact O-N 3.31Å; K186-E210 WeakPolarHBondContact CE-OE1 3.42Å; K186-E210 WeakPolarHBondContact CG-OE1 3.4Å; K186-G261 PolarHBondContact O-N 3.11Å |
| 187 | F | 98.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.8 | 178 | -58.9 | -79.3 | 0 | 0 | 0 | 111 | L88 L89 L90 L206 L209 E210 V214 F217 V258 I259 | L88-F187 HydrophobicContact CD1-CD2 3.99Å; L88-F187 HydrophobicContact CD1-CE2 4.04Å; L88-F187 WeakPolarHBondContact O-CD2 3.46Å; L88-F187 PolarHBondContact O-N 2.87Å; L89-F187 WeakPolarHBondContact CA-O 3.33Å; L89-F187 HydrophobicContact CD1-CB 3.97Å; L90-F187 PolarHBondContact N-O 2.82Å; F187-L206 HydrophobicContact CB-CD1 4.33Å; F187-L206 HydrophobicContact CD1-CD2 4.16Å; F187-L206 HydrophobicContact CD2-CB 4Å; F187-L206 HydrophobicContact CD2-CD1 4.26Å; F187-L206 HydrophobicContact CD2-CD2 4.12Å; F187-L206 HydrophobicContact CD2-CG 4.33Å; F187-L206 HydrophobicContact CE1-CD2 4.39Å; F187-L206 HydrophobicContact CE2-CB 4.02Å; F187-L206 HydrophobicContact CE2-CD2 4.36Å; F187-L206 WeakPolarHBondContact CE2-O 3.42Å; F187-L206 HydrophobicContact CG-CD1 4.38Å; F187-L206 HydrophobicContact CG-CD2 4.02Å; F187-L206 HydrophobicContact CZ-CD2 4.5Å; F187-L209 HydrophobicContact CE1-CB 4.34Å; F187-L209 HydrophobicContact CE1-CD1 4.42Å; F187-L209 HydrophobicContact CZ-CB 3.71Å; F187-L209 HydrophobicContact CZ-CD1 4.48Å; F187-E210 HydrophobicContact CE2-CB 4.26Å; F187-V214 HydrophobicContact CE1-CG1 3.71Å; F187-V214 HydrophobicContact CZ-CG1 3.88Å; F187-F217 HydrophobicContact CD1-CD1 4.27Å; F187-F217 HydrophobicContact CE1-CD1 4.04Å; F187-F217 HydrophobicContact CE1-CE1 4.44Å; F187-V258 HydrophobicContact CB-CG1 4.02Å; F187-V258 HydrophobicContact CD1-CG1 4.22Å; F187-V258 HydrophobicContact CG-CG1 4.42Å; F187-I259 CarbonylContact C-O 3.49Å; F187-I259 VanDerWaalsContact CA-O 3.28Å; F187-I259 WeakPolarHBondContact CA-O 3.35Å |
| 188 | L | 98.8 | Very high | 97.6 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 132.1 | 167.4 | -177.8 | 154.4 | 0 | 0 | 0 | 108.4 | L90 F92 A178 V258 I259 A264 | L90-L188 HydrophobicContact CD2-CD1 4.42Å; L90-L188 CarbonylContact O-C 3.6Å; L90-L188 WeakPolarHBondContact O-CA 3.42Å; F92-L188 HydrophobicContact CD2-CD1 4.17Å; F92-L188 HydrophobicContact CD2-CG 4.28Å; F92-L188 HydrophobicContact CE2-CD1 3.92Å; F92-L188 HydrophobicContact CE2-CG 4.45Å; A178-L188 HydrophobicContact CB-CD1 3.55Å; L188-V258 CarbonylContact O-C 3.49Å; L188-V258 WeakPolarHBondContact O-CA 3.46Å; L188-I259 HydrophobicContact CB-CD1 4.32Å; L188-I259 HydrophobicContact CB-CG1 3.85Å; L188-I259 HydrophobicContact CD2-CD1 4.07Å; L188-I259 HydrophobicContact CD2-CG1 4.11Å; L188-I259 PolarHBondContact N-O 3.21Å; L188-I259 PolarHBondContact O-N 2.9Å; L188-A264 HydrophobicContact CB-CB 4.34Å; L188-A264 HydrophobicContact CD1-CB 4.16Å |
| 189 | M | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136.6 | 168.8 | 179.5 | 171.2 | -171 | 0 | 0 | 109.3 | L89 L90 L91 F92 A191 I197 L202 A256 Y257 V258 T320 | L89-M189 HydrophobicContact CD1-CB 3.7Å; L90-M189 PolarHBondContact O-N 2.98Å; L91-M189 WeakPolarHBondContact CA-O 3.42Å; L91-M189 HydrophobicContact CD1-CB 3.85Å; L91-M189 HydrophobicContact CD1-CG 3.68Å; L91-M189 HydrophobicContact CD1-SD 3.95Å; F92-M189 PolarHBondContact N-O 2.71Å; M189-A191 HydrophobicContact CE-CB 4.5Å; M189-I197 HydrophobicContact CE-CD1 3.42Å; M189-I197 VanDerWaalsContact CE-CD1 3.42Å; M189-I197 HydrophobicContact CE-CG1 3.82Å; M189-I197 HydrophobicContact CE-CG2 4.23Å; M189-I197 HydrophobicContact SD-CD1 3.91Å; M189-L202 HydrophobicContact CE-CD2 4.36Å; M189-L202 HydrophobicContact SD-CD2 3.47Å; M189-L202 WeakPolarHBondContact SD-CD2 3.48Å; M189-A256 HydrophobicContact CE-CB 3.87Å; M189-Y257 WeakPolarHBondContact CA-O 3.22Å; M189-Y257 WeakPolarHBondContact CG-O 3.22Å; M189-V258 HydrophobicContact CB-CG2 4.07Å; M189-V258 HydrophobicContact CG-CG2 3.98Å; M189-V258 HydrophobicContact SD-CG2 3.98Å; M189-T320 HydrophobicContact CE-CG2 4.11Å |
| 190 | T | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.4 | 161.8 | -169 | 0 | 0 | 0 | 0 | 109 | F92 Q174 A256 Y257 | F92-T190 CarbonylContact O-C 2.98Å; F92-T190 WeakPolarHBondContact O-CA 3.37Å; Q174-T190 PolarHBondContact NE2-OG1 3.3Å; T190-A256 VanDerWaalsContact O-CA 3.28Å; T190-A256 WeakPolarHBondContact O-CA 3.28Å; T190-Y257 HydrophobicContact CG2-CD1 3.58Å; T190-Y257 HydrophobicContact CG2-CD2 4.15Å; T190-Y257 HydrophobicContact CG2-CE1 3.1Å; T190-Y257 HydrophobicContact CG2-CE2 3.72Å; T190-Y257 HydrophobicContact CG2-CG 4.08Å; T190-Y257 WeakPolarHBondContact CG2-OH 3.29Å; T190-Y257 PolarHBondContact N-O 3.03Å; T190-Y257 PolarHBondContact O-N 3.42Å |
| 191 | A | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 153.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F92 V93 K94 M189 I197 A255 A256 | F92-A191 PolarHBondContact O-N 2.78Å; V93-A191 CarbonylContact C-O 3.53Å; V93-A191 WeakPolarHBondContact CA-O 3.38Å; K94-A191 PolarHBondContact N-O 3.39Å; M189-A191 HydrophobicContact CE-CB 4.5Å; A191-I197 HydrophobicContact CB-CD1 3.93Å; A191-A255 CarbonylContact C-O 3.59Å; A191-A255 WeakPolarHBondContact CA-O 3.23Å; A191-A256 HydrophobicContact CB-CB 4.17Å |
| 192 | D | 98 | Very high | 98 | Very high | 38 Ų | 38 | 17.9 Ų | 17.9 | 20% | 0.203 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 158.1 | 166.7 | -67.3 | -29.1 | 0 | 0 | 0 | 111.1 | K94 D194 I195 A255 | K94-D192 WeakPolarHBondContact CE-OD1 3.43Å; K94-D192 IonicContact NZ-OD1 3.68Å; K94-D192 PolarHBondContact NZ-OD1 3.14Å; K94-D192 IonicContact NZ-OD2 3.11Å; D192-D194 PolarHBondContact O-N 3.46Å; D192-I195 HydrophobicContact CB-CG1 4Å; D192-I195 WeakPolarHBondContact O-CG1 3.3Å; D192-I195 PolarHBondContact O-N 2.58Å; D192-A255 PolarHBondContact N-O 3.46Å |
| 193 | D | 98 | Very high | 98 | Very high | 11 Ų | 11 | 17.9 Ų | 17.9 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -1.5 | -176.5 | 69.6 | 13.7 | 0 | 0 | 0 | 115.4 | V93 K94 T95 N99 R102 I106 | V93-D193 HydrophobicContact CG1-CB 3.98Å; K94-D193 PolarHBondContact O-N 3Å; K94-D193 VanDerWaalsContact O-N 3.11Å; T95-D193 WeakPolarHBondContact CA-OD2 3.25Å; T95-D193 VanDerWaalsContact CB-OD2 3.23Å; T95-D193 WeakPolarHBondContact CB-OD2 3.24Å; T95-D193 PolarHBondContact OG1-OD2 3.23Å; N99-D193 WeakPolarHBondContact CB-OD2 3.36Å; N99-D193 PolarHBondContact ND2-OD2 2.73Å; R102-D193 HydrophobicContact CB-CB 4.3Å; R102-D193 VanDerWaalsContact CD-CG 3.46Å; R102-D193 VanDerWaalsContact CD-OD1 3.27Å; R102-D193 WeakPolarHBondContact CD-OD1 3.24Å; R102-D193 IonicContact CZ-OD1 3.3Å; R102-D193 IonicContact NE-OD1 3.77Å; R102-D193 IonicContact NH1-OD1 3.43Å; R102-D193 PolarHBondContact NH1-OD1 2.82Å; I106-D193 HydrophobicContact CD1-CB 4.12Å |
| 194 | D | 97.4 | Very high | 98.2 | Very high | 29 Ų | 29 | 19 Ų | 19 | 16% | 0.155 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 14.9 | 173.9 | 70.5 | -14 | 0 | 0 | 0 | 112.7 | D192 H322 G323 H324 L325 | D192-D194 PolarHBondContact O-N 3.46Å; D194-H322 IonicContact OD1-CE1 2.73Å; D194-H322 IonicContact OD2-CE1 3.27Å; D194-H322 PolarHBondContact OD2-CE1 3.48Å; D194-H322 VanDerWaalsContact OD2-CE1 3.24Å; D194-H322 IonicContact OD2-ND1 3.5Å; D194-G323 CarbonylContact O-C 3.57Å; D194-G323 WeakPolarHBondContact O-CA 3.35Å; D194-G323 PolarHBondContact O-N 3.4Å; D194-H324 PolarHBondContact O-N 3.27Å; D194-L325 HydrophobicContact CB-CD2 3.4Å; D194-L325 HydrophobicContact CB-CG 4.43Å |
| 195 | I | 97.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143.4 | 177.7 | -53 | -56.3 | 0 | 0 | 0 | 110.9 | W110 D192 I197 A255 A256 S321 H322 | W110-I195 VanDerWaalsContact CZ2-O 3.29Å; W110-I195 WeakPolarHBondContact CZ2-O 3.32Å; W110-I195 PolarHBondContact NE1-O 2.95Å; D192-I195 HydrophobicContact CB-CG1 4Å; D192-I195 WeakPolarHBondContact O-CG1 3.3Å; D192-I195 PolarHBondContact O-N 2.58Å; I195-I197 HydrophobicContact CG2-CG1 4.31Å; I195-A255 HydrophobicContact CD1-CB 3.83Å; I195-A255 HydrophobicContact CG1-CB 4.46Å; I195-A255 WeakPolarHBondContact CG1-O 3.13Å; I195-A256 HydrophobicContact CG2-CB 4.38Å; I195-S321 CarbonylContact C-O 3.59Å; I195-S321 WeakPolarHBondContact CA-O 3.29Å; I195-S321 WeakPolarHBondContact CG2-O 3.24Å; I195-H322 HydrophobicContact CD1-CB 3.87Å; I195-H322 WeakPolarHBondContact CD1-CD2 3.48Å |
| 196 | F | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 130.2 | 162.2 | 179 | -88.6 | 0 | 0 | 0 | 109.6 | H198 M318 T320 S321 H324 L328 L331 W332 A335 | F196-H198 HydrophobicContact CE1-CB 3.86Å; F196-M318 HydrophobicContact CD1-CE 3.67Å; F196-M318 HydrophobicContact CD1-SD 4.12Å; F196-M318 HydrophobicContact CE1-CE 3.42Å; F196-M318 VanDerWaalsContact CE1-CE 3.42Å; F196-M318 HydrophobicContact CE1-SD 4.41Å; F196-M318 HydrophobicContact CZ-CE 4.34Å; F196-T320 CarbonylContact O-C 3.52Å; F196-T320 WeakPolarHBondContact O-CA 3.4Å; F196-S321 PolarHBondContact N-O 2.73Å; F196-S321 PolarHBondContact O-N 2.7Å; F196-H324 VanDerWaalsContact CB-CD2 3.46Å; F196-H324 WeakPolarHBondContact CB-CD2 3.25Å; F196-L328 HydrophobicContact CB-CD1 4.03Å; F196-L328 HydrophobicContact CD2-CD1 3.76Å; F196-L328 HydrophobicContact CG-CD1 4.41Å; F196-L331 HydrophobicContact CB-CD2 3.7Å; F196-L331 HydrophobicContact CD1-CD2 3.99Å; F196-L331 HydrophobicContact CD1-CG 4.41Å; F196-L331 HydrophobicContact CD2-CB 4.25Å; F196-L331 HydrophobicContact CD2-CD2 3.56Å; F196-L331 HydrophobicContact CD2-CG 3.72Å; F196-L331 HydrophobicContact CE2-CB 4.38Å; F196-L331 HydrophobicContact CE2-CD2 4.2Å; F196-L331 HydrophobicContact CE2-CG 3.85Å; F196-L331 HydrophobicContact CG-CD2 3.44Å; F196-L331 VanDerWaalsContact CG-CD2 3.44Å; F196-L331 HydrophobicContact CG-CG 4.02Å; F196-L331 HydrophobicContact CZ-CG 4.27Å; F196-W332 HydrophobicContact CE2-CB 3.99Å; F196-W332 AromaticContact CE2-CE3 3.81Å; F196-W332 HydrophobicContact CE2-CE3 3.81Å; F196-W332 AromaticContact CZ-CE3 3.84Å; F196-W332 HydrophobicContact CZ-CE3 3.84Å; F196-W332 HydrophobicContact CZ-CZ3 4.48Å; F196-A335 HydrophobicContact CE1-CB 4.21Å; F196-A335 HydrophobicContact CZ-CB 3.83Å |
| 197 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.5 | 172.5 | -58.1 | 172.7 | 0 | 0 | 0 | 108.9 | L91 W110 M189 A191 I195 M199 L202 | L91-I197 HydrophobicContact CD1-CD1 4.09Å; L91-I197 HydrophobicContact CD2-CD1 4.4Å; W110-I197 HydrophobicContact CB-CB 4.29Å; W110-I197 WeakPolarHBondContact CB-O 3.33Å; W110-I197 HydrophobicContact CD2-CB 4.08Å; W110-I197 HydrophobicContact CD2-CD1 4.2Å; W110-I197 HydrophobicContact CD2-CG1 4.24Å; W110-I197 HydrophobicContact CE3-CB 4.29Å; W110-I197 HydrophobicContact CE3-CD1 3.74Å; W110-I197 HydrophobicContact CE3-CG1 4.28Å; W110-I197 HydrophobicContact CG-CB 4.12Å; W110-I197 HydrophobicContact CH2-CD1 3.98Å; W110-I197 HydrophobicContact CZ2-CD1 4.39Å; W110-I197 HydrophobicContact CZ3-CD1 3.66Å; M189-I197 HydrophobicContact CE-CD1 3.42Å; M189-I197 VanDerWaalsContact CE-CD1 3.42Å; M189-I197 HydrophobicContact CE-CG1 3.82Å; M189-I197 HydrophobicContact CE-CG2 4.23Å; M189-I197 HydrophobicContact SD-CD1 3.91Å; A191-I197 HydrophobicContact CB-CD1 3.93Å; I195-I197 HydrophobicContact CG2-CG1 4.31Å; I197-M199 VanDerWaalsContact C-N 3.25Å; I197-M199 HydrophobicContact CG2-CE 4.06Å; I197-M199 PolarHBondContact O-N 3.41Å; I197-L202 HydrophobicContact CG2-CD2 3.69Å |
| 198 | H | 98.4 | Very high | 98.3 | Very high | 5 Ų | 5 | 18.9 Ų | 18.9 | 2% | 0.023 | 10% | 0.096 | C | C | . | . | trans | -79.2 | 77.1 | 174 | -164.9 | -63.4 | 0 | 0 | 0 | 110.4 | F196 P200 N201 L202 Y315 M318 M319 A335 | F196-H198 HydrophobicContact CE1-CB 3.86Å; H198-P200 VanDerWaalsContact C-CD 3.49Å; H198-P200 VanDerWaalsContact C-N 3.34Å; H198-N201 HydrophobicContact CB-CB 4.36Å; H198-N201 PolarHBondContact CE1-ND2 3.35Å; H198-N201 PolarHBondContact CE1-OD1 3.37Å; H198-N201 VanDerWaalsContact CE1-OD1 3.28Å; H198-N201 WeakPolarHBondContact ND1-CB 3.29Å; H198-N201 PolarHBondContact ND1-N 3.06Å; H198-N201 PolarHBondContact ND1-ND2 3.29Å; H198-N201 PolarHBondContact ND1-OD1 3.22Å; H198-N201 PolarHBondContact O-N 3.46Å; H198-L202 PolarHBondContact O-N 3.08Å; H198-Y315 PolarHBondContact CD2-O 3.35Å; H198-Y315 PolarHBondContact NE2-O 3.4Å; H198-M318 HydrophobicContact CB-CG 4.18Å; H198-M318 WeakPolarHBondContact CB-O 3.46Å; H198-M319 PolarHBondContact N-O 3.38Å; H198-A335 PolarHBondContact NE2-O 3.33Å | ||
| 199 | M | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -52.4 | -40.8 | -171.4 | -161.3 | 56.2 | 74.3 | 0 | 0 | 114.3 | L89 L91 W110 V116 L120 I124 I197 N201 L202 I203 W332 | L89-M199 HydrophobicContact CD2-SD 4.45Å; L91-M199 HydrophobicContact CD2-CE 3.88Å; W110-M199 HydrophobicContact CB-CB 4.48Å; W110-M199 WeakPolarHBondContact O-CE 3.47Å; V116-M199 HydrophobicContact CG2-CG 3.44Å; V116-M199 VanDerWaalsContact CG2-CG 3.44Å; V116-M199 HydrophobicContact CG2-SD 4.4Å; L120-M199 HydrophobicContact CD1-CB 4.45Å; L120-M199 HydrophobicContact CD1-CG 4.05Å; I124-M199 HydrophobicContact CD1-CE 4.27Å; I197-M199 VanDerWaalsContact C-N 3.25Å; I197-M199 HydrophobicContact CG2-CE 4.06Å; I197-M199 PolarHBondContact O-N 3.41Å; M199-N201 VanDerWaalsContact C-N 3.31Å; M199-N201 PolarHBondContact O-N 3.46Å; M199-L202 PolarHBondContact O-N 3.44Å; M199-L202 HydrophobicContact SD-CD2 4.13Å; M199-I203 HydrophobicContact CG-CG1 4Å; M199-I203 WeakPolarHBondContact O-CB 3.31Å; M199-I203 VanDerWaalsContact O-CG1 3.29Å; M199-I203 WeakPolarHBondContact O-CG1 3.36Å; M199-I203 PolarHBondContact O-N 3.26Å; M199-I203 HydrophobicContact SD-CD1 3.93Å; M199-I203 HydrophobicContact SD-CG1 3.82Å; M199-W332 HydrophobicContact CB-CH2 4.04Å; M199-W332 HydrophobicContact CB-CZ3 4.14Å |
| 200 | P | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 22.8 Ų | 22.8 | 7% | 0.065 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -35.1 | 175.1 | -25.8 | 34.7 | 0 | 0 | 0 | 115.2 | Y115 L120 H198 E204 T336 | Y115-P200 HydrophobicContact CE1-CG 4.5Å; L120-P200 HydrophobicContact CD1-CB 4.45Å; L120-P200 HydrophobicContact CD1-CG 4.33Å; L120-P200 HydrophobicContact CD2-CB 3.95Å; L120-P200 HydrophobicContact CD2-CG 4.17Å; H198-P200 VanDerWaalsContact C-CD 3.49Å; H198-P200 VanDerWaalsContact C-N 3.34Å; P200-E204 WeakPolarHBondContact O-CB 3.32Å; P200-E204 PolarHBondContact O-N 3.21Å; P200-T336 HydrophobicContact CG-CG2 4.19Å |
| 201 | N | 98.2 | Very high | 98.2 | Very high | 16 Ų | 16 | 30.6 Ų | 30.6 | 9% | 0.086 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -79.9 | -39.2 | -179.6 | -71 | -7.9 | 0 | 0 | 0 | 110 | H198 M199 Y205 Y315 E316 M318 M319 | H198-N201 HydrophobicContact CB-CB 4.36Å; H198-N201 PolarHBondContact CE1-ND2 3.35Å; H198-N201 PolarHBondContact CE1-OD1 3.37Å; H198-N201 VanDerWaalsContact CE1-OD1 3.28Å; H198-N201 WeakPolarHBondContact ND1-CB 3.29Å; H198-N201 PolarHBondContact ND1-N 3.06Å; H198-N201 PolarHBondContact ND1-ND2 3.29Å; H198-N201 PolarHBondContact ND1-OD1 3.22Å; H198-N201 PolarHBondContact O-N 3.46Å; M199-N201 VanDerWaalsContact C-N 3.31Å; M199-N201 PolarHBondContact O-N 3.46Å; N201-Y205 WeakPolarHBondContact O-CB 3.45Å; N201-Y205 PolarHBondContact O-N 3.04Å; N201-Y205 VanDerWaalsContact O-N 3.09Å; N201-Y315 PolarHBondContact ND2-O 3.16Å; N201-E316 PolarHBondContact ND2-O 3.29Å; N201-M318 PolarHBondContact ND2-O 2.81Å; N201-M319 HydrophobicContact CB-CE 4.37Å; N201-M319 HydrophobicContact CB-SD 3.89Å |
| 202 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -50.3 | 177.7 | 179.5 | 63.1 | 0 | 0 | 0 | 111.1 | L89 M189 I197 H198 M199 E204 Y205 L206 V258 M319 | L89-L202 HydrophobicContact CD2-CD2 4.05Å; M189-L202 HydrophobicContact CE-CD2 4.36Å; M189-L202 HydrophobicContact SD-CD2 3.47Å; M189-L202 WeakPolarHBondContact SD-CD2 3.48Å; I197-L202 HydrophobicContact CG2-CD2 3.69Å; H198-L202 PolarHBondContact O-N 3.08Å; M199-L202 PolarHBondContact O-N 3.44Å; M199-L202 HydrophobicContact SD-CD2 4.13Å; L202-E204 PolarHBondContact O-N 3.41Å; L202-Y205 WeakPolarHBondContact O-CB 3.25Å; L202-Y205 PolarHBondContact O-N 3.22Å; L202-L206 HydrophobicContact CD1-CD1 4.09Å; L202-L206 HydrophobicContact CD1-CD2 4.3Å; L202-L206 HydrophobicContact CD1-CG 4.02Å; L202-L206 HydrophobicContact CG-CD1 4.03Å; L202-L206 HydrophobicContact CG-CG 4.27Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-V258 HydrophobicContact CD1-CG2 4.14Å; L202-M319 HydrophobicContact CB-SD 4.44Å |
| 203 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | -178.4 | -64.4 | -62 | 0 | 0 | 0 | 111.6 | L88 L89 V116 L120 A122 I124 M199 Y205 L206 Q207 | L88-I203 HydrophobicContact CD2-CD1 4.14Å; L88-I203 HydrophobicContact CD2-CG2 4.14Å; L89-I203 HydrophobicContact CD2-CD1 4.49Å; V116-I203 HydrophobicContact CG1-CD1 4Å; V116-I203 HydrophobicContact CG1-CG1 3.99Å; L120-I203 HydrophobicContact CB-CB 4.46Å; L120-I203 HydrophobicContact CB-CG2 4.04Å; L120-I203 HydrophobicContact CD1-CB 4.17Å; L120-I203 HydrophobicContact CD1-CG1 3.9Å; A122-I203 HydrophobicContact CB-CD1 4.26Å; A122-I203 HydrophobicContact CB-CG2 3.55Å; I124-I203 HydrophobicContact CG2-CD1 3.85Å; M199-I203 HydrophobicContact CG-CG1 4Å; M199-I203 WeakPolarHBondContact O-CB 3.31Å; M199-I203 VanDerWaalsContact O-CG1 3.29Å; M199-I203 WeakPolarHBondContact O-CG1 3.36Å; M199-I203 PolarHBondContact O-N 3.26Å; M199-I203 HydrophobicContact SD-CD1 3.93Å; M199-I203 HydrophobicContact SD-CG1 3.82Å; I203-Y205 VanDerWaalsContact C-N 3.26Å; I203-Y205 PolarHBondContact O-N 3.34Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-Q207 HydrophobicContact CG2-CG 4.22Å; I203-Q207 WeakPolarHBondContact O-CB 3.49Å; I203-Q207 WeakPolarHBondContact O-CG 3.32Å; I203-Q207 PolarHBondContact O-N 3.45Å |
| 204 | E | 98.2 | Very high | 98 | Very high | 115 Ų | 115 | 38.6 Ų | 38.6 | 54% | 0.537 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.5 | -43.1 | 175.1 | -176.7 | 175.4 | 165.3 | 0 | 0 | 111.1 | P200 L202 S208 K341 | P200-E204 WeakPolarHBondContact O-CB 3.32Å; P200-E204 PolarHBondContact O-N 3.21Å; L202-E204 PolarHBondContact O-N 3.41Å; E204-S208 PolarHBondContact O-N 2.91Å; E204-K341 IonicContact OE2-NZ 3.28Å; E204-K341 PolarHBondContact OE2-NZ 3.43Å |
| 205 | Y | 98.4 | Very high | 98 | Very high | 59 Ų | 59 | 43.8 Ų | 43.8 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 176.5 | -179.4 | -108 | 0 | 0 | 0 | 112.7 | N201 L202 I203 S208 L209 F217 I219 M319 | N201-Y205 WeakPolarHBondContact O-CB 3.45Å; N201-Y205 PolarHBondContact O-N 3.04Å; N201-Y205 VanDerWaalsContact O-N 3.09Å; L202-Y205 WeakPolarHBondContact O-CB 3.25Å; L202-Y205 PolarHBondContact O-N 3.22Å; I203-Y205 VanDerWaalsContact C-N 3.26Å; I203-Y205 PolarHBondContact O-N 3.34Å; Y205-S208 PolarHBondContact O-N 2.96Å; Y205-S208 PolarHBondContact O-OG 2.75Å; Y205-L209 HydrophobicContact CD1-CD1 3.99Å; Y205-L209 HydrophobicContact CE1-CD1 3.46Å; Y205-L209 VanDerWaalsContact CE1-CD1 3.46Å; Y205-L209 HydrophobicContact CE1-CG 4.32Å; Y205-L209 HydrophobicContact CE2-CD1 4.47Å; Y205-L209 WeakPolarHBondContact O-CG 3.28Å; Y205-L209 PolarHBondContact O-N 3.44Å; Y205-L209 VanDerWaalsContact O-N 3.15Å; Y205-F217 AromaticContact CE1-CZ 3.95Å; Y205-F217 HydrophobicContact CE1-CZ 3.95Å; Y205-I219 HydrophobicContact CD1-CD1 4.36Å; Y205-I219 HydrophobicContact CE1-CD1 3.56Å; Y205-M319 HydrophobicContact CD1-CE 4.45Å; Y205-M319 HydrophobicContact CD2-CE 4.46Å; Y205-M319 HydrophobicContact CG-CE 3.99Å |
| 206 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | -179.7 | -63.9 | -176.3 | 0 | 0 | 0 | 112.7 | L88 L89 F187 L202 I203 S208 L209 E210 V258 | L88-L206 HydrophobicContact CD1-CB 4.39Å; L88-L206 HydrophobicContact CD2-CB 4.35Å; L88-L206 HydrophobicContact CG-CB 4.46Å; L89-L206 HydrophobicContact CB-CD1 4.32Å; L89-L206 HydrophobicContact CD1-CD1 3.91Å; L89-L206 HydrophobicContact CD2-CD1 4.13Å; L89-L206 HydrophobicContact CG-CD1 4.36Å; F187-L206 HydrophobicContact CB-CD1 4.33Å; F187-L206 HydrophobicContact CD1-CD2 4.16Å; F187-L206 HydrophobicContact CD2-CB 4Å; F187-L206 HydrophobicContact CD2-CD1 4.26Å; F187-L206 HydrophobicContact CD2-CD2 4.12Å; F187-L206 HydrophobicContact CD2-CG 4.33Å; F187-L206 HydrophobicContact CE1-CD2 4.39Å; F187-L206 HydrophobicContact CE2-CB 4.02Å; F187-L206 HydrophobicContact CE2-CD2 4.36Å; F187-L206 WeakPolarHBondContact CE2-O 3.42Å; F187-L206 HydrophobicContact CG-CD1 4.38Å; F187-L206 HydrophobicContact CG-CD2 4.02Å; F187-L206 HydrophobicContact CZ-CD2 4.5Å; L202-L206 HydrophobicContact CD1-CD1 4.09Å; L202-L206 HydrophobicContact CD1-CD2 4.3Å; L202-L206 HydrophobicContact CD1-CG 4.02Å; L202-L206 HydrophobicContact CG-CD1 4.03Å; L202-L206 HydrophobicContact CG-CG 4.27Å; L202-L206 WeakPolarHBondContact O-CG 3.38Å; L202-L206 PolarHBondContact O-N 2.85Å; I203-L206 PolarHBondContact O-N 3.31Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 2.87Å; L206-L209 HydrophobicContact CD2-CD1 4.34Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 PolarHBondContact O-N 2.84Å; L206-L209 VanDerWaalsContact O-N 3.15Å; L206-E210 PolarHBondContact O-N 2.91Å; L206-V258 HydrophobicContact CD2-CG1 3.93Å |
| 207 | Q | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 25% | 0.252 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.9 | -74.4 | 172.9 | -26.6 | 0 | 0 | 111.3 | L88 L120 N121 I203 L209 E210 Q211 | L88-Q207 HydrophobicContact CD2-CG 3.74Å; L120-Q207 PolarHBondContact O-NE2 3.05Å; N121-Q207 PolarHBondContact O-NE2 2.97Å; I203-Q207 HydrophobicContact CG2-CG 4.22Å; I203-Q207 WeakPolarHBondContact O-CB 3.49Å; I203-Q207 WeakPolarHBondContact O-CG 3.32Å; I203-Q207 PolarHBondContact O-N 3.45Å; Q207-L209 VanDerWaalsContact C-N 3.3Å; Q207-L209 PolarHBondContact O-N 2.87Å; Q207-E210 PolarHBondContact O-N 2.92Å; Q207-Q211 VanDerWaalsContact O-CG 3.28Å; Q207-Q211 WeakPolarHBondContact O-CG 3.21Å; Q207-Q211 PolarHBondContact O-N 3.34Å |
| 208 | S | 98.3 | Very high | 98 | Very high | 52 Ų | 52 | 47.6 Ų | 47.6 | 36% | 0.364 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.7 | -34.9 | 175.9 | 80.8 | 0 | 0 | 0 | 0 | 112.8 | E204 Y205 L206 | E204-S208 PolarHBondContact O-N 2.91Å; Y205-S208 PolarHBondContact O-N 2.96Å; Y205-S208 PolarHBondContact O-OG 2.75Å; L206-S208 VanDerWaalsContact C-N 3.29Å; L206-S208 PolarHBondContact O-N 2.87Å |
| 209 | L | 98.3 | Very high | 98 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.2 | -36.9 | 176.9 | -70.6 | 179.3 | 0 | 0 | 0 | 112.5 | F187 Y205 L206 Q207 I212 G213 V214 F217 | F187-L209 HydrophobicContact CE1-CB 4.34Å; F187-L209 HydrophobicContact CE1-CD1 4.42Å; F187-L209 HydrophobicContact CZ-CB 3.71Å; F187-L209 HydrophobicContact CZ-CD1 4.48Å; Y205-L209 HydrophobicContact CD1-CD1 3.99Å; Y205-L209 HydrophobicContact CE1-CD1 3.46Å; Y205-L209 VanDerWaalsContact CE1-CD1 3.46Å; Y205-L209 HydrophobicContact CE1-CG 4.32Å; Y205-L209 HydrophobicContact CE2-CD1 4.47Å; Y205-L209 WeakPolarHBondContact O-CG 3.28Å; Y205-L209 PolarHBondContact O-N 3.44Å; Y205-L209 VanDerWaalsContact O-N 3.15Å; L206-L209 HydrophobicContact CD2-CD1 4.34Å; L206-L209 WeakPolarHBondContact O-CB 3.22Å; L206-L209 PolarHBondContact O-N 2.84Å; L206-L209 VanDerWaalsContact O-N 3.15Å; Q207-L209 VanDerWaalsContact C-N 3.3Å; Q207-L209 PolarHBondContact O-N 2.87Å; L209-I212 HydrophobicContact CD2-CD1 4.15Å; L209-I212 WeakPolarHBondContact O-CG1 3.49Å; L209-I212 PolarHBondContact O-N 3.36Å; L209-G213 PolarHBondContact O-N 2.88Å; L209-V214 HydrophobicContact CB-CB 4.38Å; L209-V214 HydrophobicContact CB-CG1 3.82Å; L209-V214 HydrophobicContact CD2-CB 4.44Å; L209-V214 HydrophobicContact CD2-CG1 4.48Å; L209-V214 PolarHBondContact O-N 3.29Å; L209-V214 VanDerWaalsContact O-N 3.13Å; L209-F217 HydrophobicContact CD1-CD1 4.29Å; L209-F217 HydrophobicContact CD1-CD2 4.43Å; L209-F217 HydrophobicContact CD1-CE1 3.57Å; L209-F217 HydrophobicContact CD1-CE2 3.75Å; L209-F217 HydrophobicContact CD1-CZ 3.26Å; L209-F217 HydrophobicContact CD2-CE2 4.42Å |
| 210 | E | 97.3 | Very high | 98 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.8 | -177.6 | 179.6 | -154 | 0 | 0 | 111.2 | L88 K186 F187 L206 Q207 I212 G213 | L88-E210 HydrophobicContact CD1-CB 4.34Å; L88-E210 WeakPolarHBondContact CD1-OE2 3.42Å; K186-E210 WeakPolarHBondContact CE-OE1 3.42Å; K186-E210 WeakPolarHBondContact CG-OE1 3.4Å; F187-E210 HydrophobicContact CE2-CB 4.26Å; L206-E210 PolarHBondContact O-N 2.91Å; Q207-E210 PolarHBondContact O-N 2.92Å; E210-I212 PolarHBondContact O-N 3.23Å; E210-G213 WeakPolarHBondContact O-CA 3.39Å; E210-G213 PolarHBondContact O-N 2.71Å |
| 211 | Q | 96.9 | Very high | 97.9 | Very high | 165 Ų | 165 | 48.5 Ų | 48.5 | 77% | 0.771 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -58 | -34 | 179 | -75.7 | 172 | 9.3 | 0 | 0 | 113.1 | Q207 | Q207-Q211 VanDerWaalsContact O-CG 3.28Å; Q207-Q211 WeakPolarHBondContact O-CG 3.21Å; Q207-Q211 PolarHBondContact O-N 3.34Å |
| 212 | I | 97.6 | Very high | 97.8 | Very high | 127 Ų | 127 | 47.9 Ų | 47.9 | 65% | 0.651 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -0.9 | 176.6 | 66.9 | 171.6 | 0 | 0 | 0 | 113.2 | L209 E210 | L209-I212 HydrophobicContact CD2-CD1 4.15Å; L209-I212 WeakPolarHBondContact O-CG1 3.49Å; L209-I212 PolarHBondContact O-N 3.36Å; E210-I212 PolarHBondContact O-N 3.23Å |
| 213 | G | 96.7 | Very high | 97.6 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 51% | 0.505 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L209 E210 | L209-G213 PolarHBondContact O-N 2.88Å; E210-G213 WeakPolarHBondContact O-CA 3.39Å; E210-G213 PolarHBondContact O-N 2.71Å |
| 214 | V | 97.3 | Very high | 97.3 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 24% | 0.242 | 29% | 0.285 | C | S | . | . | trans | -57 | 139.5 | -178.5 | 80.9 | 0 | 0 | 0 | 0 | 111.6 | F187 L209 F217 | F187-V214 HydrophobicContact CE1-CG1 3.71Å; F187-V214 HydrophobicContact CZ-CG1 3.88Å; L209-V214 HydrophobicContact CB-CB 4.38Å; L209-V214 HydrophobicContact CB-CG1 3.82Å; L209-V214 HydrophobicContact CD2-CB 4.44Å; L209-V214 HydrophobicContact CD2-CG1 4.48Å; L209-V214 PolarHBondContact O-N 3.29Å; L209-V214 VanDerWaalsContact O-N 3.13Å; V214-F217 HydrophobicContact CG1-CB 3.96Å; V214-F217 HydrophobicContact CG1-CD2 4.44Å; V214-F217 HydrophobicContact CG1-CG 4.08Å; V214-F217 HydrophobicContact CG2-CB 3.97Å; V214-F217 HydrophobicContact CG2-CD2 3.88Å; V214-F217 HydrophobicContact CG2-CG 4.17Å | ||
| 215 | Q | 97.1 | Very high | 96.9 | Very high | 139 Ų | 139 | 52.1 Ų | 52.1 | 65% | 0.65 | 26% | 0.261 | S | S | * | . | trans | -131.7 | 168.2 | 173.6 | -64.1 | -174 | 13 | 0 | 0 | 109.2 | F217 | Q215-F217 PolarHBondContact O-N 3.46Å; Q215-F217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | D | 97.6 | Very high | 96.7 | Very high | 76 Ų | 76 | 50 Ų | 50 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | S | Bend | trans | 53 | 33.2 | -179 | -64.2 | -42.3 | 0 | 0 | 0 | 112.4 | D262 K266 I294 | D216-D262 PolarHBondContact N-OD2 3.26Å; D216-D262 VanDerWaalsContact N-OD2 3.14Å; D216-K266 IonicContact OD1-NZ 2.58Å; D216-K266 PolarHBondContact OD1-NZ 2.9Å; D216-I294 HydrophobicContact CB-CD1 3.65Å; D216-I294 WeakPolarHBondContact OD1-CD1 3.44Å |
| 217 | F | 98.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | trans | -95.3 | 127.6 | -170.8 | -176.3 | -105.3 | 0 | 0 | 0 | 110.9 | F187 Y205 L209 V214 Q215 I219 V258 I259 S260 | F187-F217 HydrophobicContact CD1-CD1 4.27Å; F187-F217 HydrophobicContact CE1-CD1 4.04Å; F187-F217 HydrophobicContact CE1-CE1 4.44Å; Y205-F217 AromaticContact CE1-CZ 3.95Å; Y205-F217 HydrophobicContact CE1-CZ 3.95Å; L209-F217 HydrophobicContact CD1-CD1 4.29Å; L209-F217 HydrophobicContact CD1-CD2 4.43Å; L209-F217 HydrophobicContact CD1-CE1 3.57Å; L209-F217 HydrophobicContact CD1-CE2 3.75Å; L209-F217 HydrophobicContact CD1-CZ 3.26Å; L209-F217 HydrophobicContact CD2-CE2 4.42Å; V214-F217 HydrophobicContact CG1-CB 3.96Å; V214-F217 HydrophobicContact CG1-CD2 4.44Å; V214-F217 HydrophobicContact CG1-CG 4.08Å; V214-F217 HydrophobicContact CG2-CB 3.97Å; V214-F217 HydrophobicContact CG2-CD2 3.88Å; V214-F217 HydrophobicContact CG2-CG 4.17Å; Q215-F217 PolarHBondContact O-N 3.46Å; Q215-F217 VanDerWaalsContact O-N 3.09Å; F217-I219 HydrophobicContact CD2-CG2 4.32Å; F217-I219 HydrophobicContact CE1-CB 4.36Å; F217-I219 HydrophobicContact CE1-CD1 4.05Å; F217-I219 HydrophobicContact CE1-CG1 3.63Å; F217-I219 HydrophobicContact CE1-CG2 3.98Å; F217-I219 HydrophobicContact CE2-CG2 3.42Å; F217-I219 VanDerWaalsContact CE2-CG2 3.42Å; F217-I219 HydrophobicContact CZ-CB 3.97Å; F217-I219 HydrophobicContact CZ-CD1 3.75Å; F217-I219 HydrophobicContact CZ-CG1 3.58Å; F217-I219 HydrophobicContact CZ-CG2 3.21Å; F217-V258 HydrophobicContact CE1-CG1 4.44Å; F217-I259 CarbonylContact O-C 3.56Å; F217-I259 WeakPolarHBondContact O-CA 3.2Å; F217-S260 PolarHBondContact N-OG 2.96Å; F217-S260 VanDerWaalsContact N-OG 3.11Å; F217-S260 PolarHBondContact O-N 3.35Å | ||
| 218 | W | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 118.6 | 172.1 | 179.3 | 17.5 | 0 | 0 | 0 | 109.6 | T252 Y257 V258 I259 M285 A289 I294 P296 Q297 | W218-T252 HydrophobicContact CZ2-CG2 4.1Å; W218-T252 WeakPolarHBondContact CZ2-OG1 3.16Å; W218-T252 PolarHBondContact NE1-OG1 3.18Å; W218-Y257 AromaticContact NE1-CD2 3.76Å; W218-Y257 AromaticContact NE1-CG 3.86Å; W218-V258 CarbonylContact C-O 3.54Å; W218-V258 WeakPolarHBondContact CA-O 3.21Å; W218-I259 HydrophobicContact CB-CG2 3.84Å; W218-I259 HydrophobicContact CD2-CG2 4.46Å; W218-I259 HydrophobicContact CG-CG2 3.62Å; W218-M285 HydrophobicContact CD2-CE 4.38Å; W218-M285 HydrophobicContact CH2-CG 4.15Å; W218-M285 HydrophobicContact CZ2-CE 4.22Å; W218-M285 HydrophobicContact CZ2-CG 3.8Å; W218-A289 HydrophobicContact CE3-CB 3.79Å; W218-A289 HydrophobicContact CH2-CB 3.91Å; W218-A289 HydrophobicContact CZ3-CB 3.18Å; W218-I294 HydrophobicContact CB-CG2 4.28Å; W218-I294 HydrophobicContact CE3-CG2 4.09Å; W218-P296 HydrophobicContact CD2-CB 3.57Å; W218-P296 HydrophobicContact CE3-CB 3.49Å; W218-P296 VanDerWaalsContact CE3-CB 3.49Å; W218-P296 HydrophobicContact CE3-CG 4.01Å; W218-P296 HydrophobicContact CG-CB 4.15Å; W218-P296 HydrophobicContact CH2-CB 4.02Å; W218-P296 HydrophobicContact CH2-CG 4.05Å; W218-P296 HydrophobicContact CZ2-CB 4.09Å; W218-P296 HydrophobicContact CZ3-CB 3.71Å; W218-P296 VanDerWaalsContact CZ3-CD 3.48Å; W218-P296 HydrophobicContact CZ3-CG 3.75Å; W218-Q297 WeakPolarHBondContact O-CB 3.4Å; W218-Q297 PolarHBondContact O-N 2.99Å |
| 219 | I | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.1 | 178.3 | 59.3 | 158.5 | 0 | 0 | 0 | 113.3 | Y205 F217 Y257 V258 Q297 H299 F302 | Y205-I219 HydrophobicContact CD1-CD1 4.36Å; Y205-I219 HydrophobicContact CE1-CD1 3.56Å; F217-I219 HydrophobicContact CD2-CG2 4.32Å; F217-I219 HydrophobicContact CE1-CB 4.36Å; F217-I219 HydrophobicContact CE1-CD1 4.05Å; F217-I219 HydrophobicContact CE1-CG1 3.63Å; F217-I219 HydrophobicContact CE1-CG2 3.98Å; F217-I219 HydrophobicContact CE2-CG2 3.42Å; F217-I219 VanDerWaalsContact CE2-CG2 3.42Å; F217-I219 HydrophobicContact CZ-CB 3.97Å; F217-I219 HydrophobicContact CZ-CD1 3.75Å; F217-I219 HydrophobicContact CZ-CG1 3.58Å; F217-I219 HydrophobicContact CZ-CG2 3.21Å; I219-Y257 WeakPolarHBondContact O-CA 3.36Å; I219-Y257 VanDerWaalsContact O-CB 3.25Å; I219-Y257 WeakPolarHBondContact O-CB 3.22Å; I219-V258 HydrophobicContact CD1-CB 4.38Å; I219-V258 HydrophobicContact CG1-CB 3.89Å; I219-V258 PolarHBondContact N-O 2.93Å; I219-V258 PolarHBondContact O-N 3.41Å; I219-Q297 WeakPolarHBondContact CA-O 3.39Å; I219-Q297 HydrophobicContact CG2-CB 3.94Å; I219-H299 HydrophobicContact CB-CB 4.32Å; I219-H299 HydrophobicContact CD1-CB 4.44Å; I219-F302 HydrophobicContact CD1-CE2 3.67Å; I219-F302 HydrophobicContact CD1-CZ 3.79Å; I219-F302 HydrophobicContact CG1-CZ 4.34Å |
| 220 | G | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | -160.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V222 Q297 H299 | G220-V222 PolarHBondContact O-N 3.43Å; G220-Q297 PolarHBondContact N-O 3.02Å; G220-H299 PolarHBondContact O-N 3Å; G220-H299 VanDerWaalsContact O-N 3.07Å |
| 221 | R | 96.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 50.1 Ų | 50.1 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 103.4 | 168 | 173.9 | 71.2 | 178.5 | 80.5 | 0.7 | 109.3 | T252 A253 S303 Y366 D368 | R221-T252 CarbonylContact O-C 3.51Å; R221-T252 VanDerWaalsContact O-CA 3.24Å; R221-T252 WeakPolarHBondContact O-CA 3.47Å; R221-A253 HydrophobicContact CB-CB 4.06Å; R221-A253 HydrophobicContact CG-CB 4.2Å; R221-A253 PolarHBondContact O-N 3.49Å; R221-S303 WeakPolarHBondContact CB-O 3.44Å; R221-Y366 PolarHBondContact NH2-OH 3.28Å; R221-D368 IonicContact CZ-OD1 3.46Å; R221-D368 VanDerWaalsContact CZ-OD1 3.27Å; R221-D368 IonicContact NE-OD1 3.59Å; R221-D368 PolarHBondContact NE-OD1 3.08Å; R221-D368 IonicContact NH2-OD1 3.59Å; R221-D368 PolarHBondContact NH2-OD1 3.08Å |
| 222 | V | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 123.6 | -175.2 | -177.1 | 0 | 0 | 0 | 0 | 112.7 | G220 R224 D250 Y251 T252 P296 Y298 | G220-V222 PolarHBondContact O-N 3.43Å; V222-R224 HydrophobicContact CG1-CG 3.96Å; V222-D250 HydrophobicContact CG1-CB 4.29Å; V222-Y251 CarbonylContact C-O 3.56Å; V222-Y251 VanDerWaalsContact CA-O 3.32Å; V222-Y251 WeakPolarHBondContact CA-O 3.45Å; V222-T252 HydrophobicContact CG2-CG2 4.06Å; V222-P296 HydrophobicContact CG1-CB 4.4Å; V222-P296 HydrophobicContact CG1-CG 3.89Å; V222-P296 HydrophobicContact CG2-CB 3.83Å; V222-P296 HydrophobicContact CG2-CG 4.24Å; V222-Y298 HydrophobicContact CB-CD2 3.95Å; V222-Y298 HydrophobicContact CG2-CD2 4.38Å |
| 223 | H | 94.1 | Very high | 95 | Very high | 36 Ų | 36 | 50.1 Ų | 50.1 | 17% | 0.167 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120 | 163.2 | -67.5 | -87.2 | 0 | 0 | 0 | 109 | A226 D250 Y251 A253 | H223-A226 HydrophobicContact CB-CB 4.28Å; H223-D250 WeakPolarHBondContact O-CA 3.32Å; H223-Y251 HydrophobicContact CB-CD1 3.99Å; H223-Y251 HydrophobicContact CB-CD2 4.36Å; H223-Y251 HydrophobicContact CB-CE1 3.52Å; H223-Y251 HydrophobicContact CB-CE2 3.92Å; H223-Y251 HydrophobicContact CB-CG 4.38Å; H223-Y251 VanDerWaalsContact CB-CZ 3.47Å; H223-Y251 AromaticContact CD2-CE2 3.71Å; H223-Y251 AromaticContact CD2-CZ 3.99Å; H223-Y251 AromaticContact CG-CE2 3.93Å; H223-Y251 AromaticContact CG-CZ 3.73Å; H223-Y251 PolarHBondContact N-O 3.31Å; H223-Y251 PolarHBondContact O-N 3Å; H223-A253 WeakPolarHBondContact NE2-CB 3.23Å |
| 224 | R | 92.3 | Very high | 94.9 | Very high | 169 Ų | 169 | 49.3 Ų | 49.3 | 64% | 0.638 | 25% | 0.247 | S | C | * | . | trans | -100.4 | 103.8 | -176.3 | -71.7 | -173.1 | -177.8 | -135.2 | -4.5 | 109.8 | R48 V222 A226 D250 | R48-R224 PolarHBondContact NH1-O 2.65Å; V222-R224 HydrophobicContact CG1-CG 3.96Å; R224-A226 VanDerWaalsContact C-N 3.3Å; R224-A226 PolarHBondContact O-N 2.94Å; R224-D250 WeakPolarHBondContact CA-OD1 3.28Å | ||
| 225 | G | 90.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 60 | 42.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S44 Y248 D250 | S44-G225 PolarHBondContact OG-O 3.3Å; G225-Y248 WeakPolarHBondContact CA-O 3.42Å; G225-D250 PolarHBondContact N-OD1 3.21Å |
| 226 | A | 92.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 136.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109 | H223 R224 Y248 Y251 | H223-A226 HydrophobicContact CB-CB 4.28Å; R224-A226 VanDerWaalsContact C-N 3.3Å; R224-A226 PolarHBondContact O-N 2.94Å; A226-Y248 HydrophobicContact CB-CD2 4.43Å; A226-Y248 VanDerWaalsContact O-CD2 3.25Å; A226-Y248 WeakPolarHBondContact O-CD2 3.27Å; A226-Y248 PolarHBondContact O-N 3.39Å; A226-Y251 HydrophobicContact CB-CE1 3.96Å |
| 227 | P | 93.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 49.3 Ų | 49.3 | 10% | 0.104 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 145.2 | 174.4 | 29.5 | -32.9 | 0 | 0 | 0 | 110.4 | I229 P246 | P227-I229 PolarHBondContact O-N 2.84Å; P227-P246 WeakPolarHBondContact CA-O 3.4Å |
| 228 | P | 94.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 136.7 | 165.8 | -19.2 | 29.8 | 0 | 0 | 0 | 110.9 | R230 V238 Y243 W245 P246 Y248 | P228-R230 PolarHBondContact O-N 3.49Å; P228-V238 HydrophobicContact CB-CB 4.29Å; P228-Y243 HydrophobicContact CG-CD1 3.62Å; P228-Y243 HydrophobicContact CG-CE1 3.99Å; P228-W245 WeakPolarHBondContact CG-O 3.48Å; P228-P246 WeakPolarHBondContact CD-O 3.37Å; P228-Y248 WeakPolarHBondContact CA-OH 3.38Å; P228-Y248 HydrophobicContact CB-CE1 4.09Å; P228-Y248 HydrophobicContact CB-CE2 4.21Å; P228-Y248 VanDerWaalsContact CB-OH 3.32Å; P228-Y248 WeakPolarHBondContact CB-OH 3.24Å; P228-Y248 HydrophobicContact CG-CD1 4.18Å; P228-Y248 HydrophobicContact CG-CE1 3.61Å; P228-Y248 HydrophobicContact CG-CE2 4.18Å |
| 229 | I | 93.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 50 Ų | 50 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | B | Isolated β-bridge | trans | -79.5 | 117.5 | 175.2 | -66.2 | 165.1 | 0 | 0 | 0 | 108.6 | P227 H231 Y236 Y237 V238 | P227-I229 PolarHBondContact O-N 2.84Å; I229-H231 HydrophobicContact CG2-CB 4.23Å; I229-Y236 HydrophobicContact CD1-CD2 4.24Å; I229-Y236 HydrophobicContact CD1-CG 4.39Å; I229-Y237 CarbonylContact O-C 3.44Å; I229-Y237 VanDerWaalsContact O-CA 3.29Å; I229-Y237 WeakPolarHBondContact O-CA 3.16Å; I229-V238 PolarHBondContact O-N 3.46Å |
| 230 | R | 92.8 | Very high | 93.8 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 8% | 0.083 | 26% | 0.261 | C | S | . | . | trans | -93.8 | -2.9 | -178.4 | -55.2 | -53.6 | -172.9 | 178.9 | 3.2 | 114.2 | P228 K232 Y237 V238 S239 Y240 Y243 W245 | P228-R230 PolarHBondContact O-N 3.49Å; R230-K232 PolarHBondContact O-N 2.9Å; R230-Y237 WeakPolarHBondContact O-CD2 3.3Å; R230-Y237 WeakPolarHBondContact O-CE2 3.3Å; R230-V238 VanDerWaalsContact CD-O 3.23Å; R230-V238 WeakPolarHBondContact CD-O 3.41Å; R230-V238 PolarHBondContact NH1-O 3.29Å; R230-S239 PolarHBondContact NH1-O 2.93Å; R230-Y240 HydrophobicContact CG-CE2 4.41Å; R230-Y243 VanDerWaalsContact CZ-O 3.25Å; R230-Y243 PolarHBondContact NH1-O 3.04Å; R230-Y243 PolarHBondContact NH2-O 2.74Å; R230-W245 PolarHBondContact NH2-O 2.89Å; R230-W245 VanDerWaalsContact NH2-O 3.15Å | ||
| 231 | H | 92 | Very high | 93.5 | Very high | 85 Ų | 85 | 63.2 Ų | 63.2 | 39% | 0.394 | 30% | 0.298 | S | S | . | . | trans | -79.1 | 113.7 | 177.1 | -64.1 | -66.3 | 0 | 0 | 0 | 111.4 | D35 I229 S233 S234 Y237 | D35-H231 PolarHBondContact O-CE1 3.45Å; I229-H231 HydrophobicContact CG2-CB 4.23Å; H231-S233 PolarHBondContact O-N 3.19Å; H231-S233 VanDerWaalsContact O-N 3.13Å; H231-S234 VanDerWaalsContact O-CB 3.3Å; H231-S234 WeakPolarHBondContact O-CB 3.45Å; H231-S234 PolarHBondContact O-N 2.84Å; H231-Y237 WeakPolarHBondContact O-CB 3.43Å | ||
| 232 | K | 92.6 | Very high | 93.2 | Very high | 170 Ų | 170 | 64.2 Ų | 64.2 | 74% | 0.739 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.9 | -176.7 | -67.2 | -174.4 | 179.5 | -176.2 | 0 | 115.4 | R230 S234 Y237 | R230-K232 PolarHBondContact O-N 2.9Å; K232-S234 VanDerWaalsContact C-N 3.31Å; K232-Y237 HydrophobicContact CB-CD2 4.48Å; K232-Y237 HydrophobicContact CG-CD2 4.1Å; K232-Y237 HydrophobicContact CG-CE1 4.2Å; K232-Y237 HydrophobicContact CG-CE2 3.67Å |
| 233 | S | 92.8 | Very high | 92.9 | Very high | 122 Ų | 122 | 64.1 Ų | 64.1 | 85% | 0.853 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.4 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | H231 | H231-S233 PolarHBondContact O-N 3.19Å; H231-S233 VanDerWaalsContact O-N 3.13Å |
| 234 | S | 93.8 | Very high | 92.8 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -76.4 | 136.7 | 176.4 | -178 | 0 | 0 | 0 | 0 | 110.3 | H231 K232 Y236 Y237 | H231-S234 VanDerWaalsContact O-CB 3.3Å; H231-S234 WeakPolarHBondContact O-CB 3.45Å; H231-S234 PolarHBondContact O-N 2.84Å; K232-S234 VanDerWaalsContact C-N 3.31Å; S234-Y236 PolarHBondContact O-N 2.94Å; S234-Y236 VanDerWaalsContact O-N 3.14Å; S234-Y236 PolarHBondContact OG-N 3.43Å; S234-Y236 VanDerWaalsContact OG-N 3.13Å; S234-Y237 VanDerWaalsContact O-CB 3.28Å; S234-Y237 WeakPolarHBondContact O-CB 3.37Å; S234-Y237 PolarHBondContact O-N 2.78Å |
| 235 | K | 93.3 | Very high | 92.7 | Very high | 120 Ų | 120 | 60.7 Ų | 60.7 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.2 | 168.5 | 71.3 | 178.6 | -168.8 | 170 | 0 | 112.4 | F164 | F164-K235 WeakPolarHBondContact CE1-O 3.1Š|
| 236 | Y | 94.9 | Very high | 92.7 | Very high | 79 Ų | 79 | 62.5 Ų | 62.5 | 31% | 0.31 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 15.8 | 178.7 | -57 | -63.4 | 0 | 0 | 0 | 113.3 | F164 I229 S234 V238 I280 | F164-Y236 HydrophobicContact CE2-CD1 4.39Å; F164-Y236 HydrophobicContact CE2-CE1 4.08Å; F164-Y236 AromaticContact CZ-CD1 3.69Å; F164-Y236 HydrophobicContact CZ-CD1 3.69Å; F164-Y236 AromaticContact CZ-CE1 3.84Å; F164-Y236 HydrophobicContact CZ-CE1 3.84Å; I229-Y236 HydrophobicContact CD1-CD2 4.24Å; I229-Y236 HydrophobicContact CD1-CG 4.39Å; S234-Y236 PolarHBondContact O-N 2.94Å; S234-Y236 VanDerWaalsContact O-N 3.14Å; S234-Y236 PolarHBondContact OG-N 3.43Å; S234-Y236 VanDerWaalsContact OG-N 3.13Å; Y236-V238 PolarHBondContact O-N 2.9Å; Y236-I280 HydrophobicContact CD1-CD1 4.13Å |
| 237 | Y | 95.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 61.8 Ų | 61.8 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -52.5 | 139.2 | 176 | 170.3 | -113.1 | 0 | 0 | 0 | 110.5 | I229 R230 H231 K232 S234 S239 Y279 | I229-Y237 CarbonylContact O-C 3.44Å; I229-Y237 VanDerWaalsContact O-CA 3.29Å; I229-Y237 WeakPolarHBondContact O-CA 3.16Å; R230-Y237 WeakPolarHBondContact O-CD2 3.3Å; R230-Y237 WeakPolarHBondContact O-CE2 3.3Å; H231-Y237 WeakPolarHBondContact O-CB 3.43Å; K232-Y237 HydrophobicContact CB-CD2 4.48Å; K232-Y237 HydrophobicContact CG-CD2 4.1Å; K232-Y237 HydrophobicContact CG-CE1 4.2Å; K232-Y237 HydrophobicContact CG-CE2 3.67Å; S234-Y237 VanDerWaalsContact O-CB 3.28Å; S234-Y237 WeakPolarHBondContact O-CB 3.37Å; S234-Y237 PolarHBondContact O-N 2.78Å; Y237-S239 VanDerWaalsContact OH-CB 3.32Å; Y237-S239 WeakPolarHBondContact OH-CB 3.37Å; Y237-Y279 PolarHBondContact O-OH 2.82Å |
| 238 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -136.9 | 125.5 | 170.4 | 174.6 | 0 | 0 | 0 | 0 | 108.2 | P228 I229 R230 Y236 M242 Y248 L278 I280 | P228-V238 HydrophobicContact CB-CB 4.29Å; I229-V238 PolarHBondContact O-N 3.46Å; R230-V238 VanDerWaalsContact CD-O 3.23Å; R230-V238 WeakPolarHBondContact CD-O 3.41Å; R230-V238 PolarHBondContact NH1-O 3.29Å; Y236-V238 PolarHBondContact O-N 2.9Å; V238-M242 HydrophobicContact CG1-CB 4.13Å; V238-M242 HydrophobicContact CG1-CG 4.03Å; V238-M242 HydrophobicContact CG1-SD 4.07Å; V238-Y248 VanDerWaalsContact CG2-OH 3.23Å; V238-Y248 WeakPolarHBondContact CG2-OH 3.47Å; V238-L278 HydrophobicContact CG1-CD1 4.06Å; V238-L278 HydrophobicContact CG2-CD1 4.11Å; V238-I280 HydrophobicContact CG2-CG1 3.87Å | ||
| 239 | S | 94.1 | Very high | 92.7 | Very high | 21 Ų | 21 | 61.4 Ų | 61.4 | 15% | 0.147 | 30% | 0.296 | C | S | . | . | trans | -78.3 | 162.4 | -178.2 | 87.1 | 0 | 0 | 0 | 0 | 112.1 | R230 Y237 E241 M242 Y243 | R230-S239 PolarHBondContact NH1-O 2.93Å; Y237-S239 VanDerWaalsContact OH-CB 3.32Å; Y237-S239 WeakPolarHBondContact OH-CB 3.37Å; S239-E241 VanDerWaalsContact C-N 3.27Å; S239-E241 WeakPolarHBondContact CB-OE2 3.47Å; S239-E241 PolarHBondContact O-N 2.98Å; S239-E241 PolarHBondContact OG-N 3.24Å; S239-E241 PolarHBondContact OG-OE2 2.81Å; S239-M242 PolarHBondContact O-N 3.38Å; S239-M242 PolarHBondContact OG-N 3.18Å; S239-Y243 PolarHBondContact O-N 3.13Å | ||
| 240 | Y | 91.8 | Very high | 92.7 | Very high | 113 Ų | 113 | 59.6 Ų | 59.6 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -31.1 | 177 | -76.5 | -77.2 | 0 | 0 | 0 | 112.1 | R230 M242 Y243 Q244 | R230-Y240 HydrophobicContact CG-CE2 4.41Å; Y240-M242 VanDerWaalsContact C-N 3.32Å; Y240-Y243 CarbonylContact O-C 3.47Å; Y240-Q244 VanDerWaalsContact O-CA 3.32Å; Y240-Q244 WeakPolarHBondContact O-CA 3.14Å; Y240-Q244 WeakPolarHBondContact O-CB 3.42Å; Y240-Q244 PolarHBondContact O-N 2.81Å |
| 241 | E | 90.8 | Very high | 92.9 | Very high | 166 Ų | 166 | 59.5 Ų | 59.5 | 78% | 0.776 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -35.6 | 175.3 | -54.1 | 76.7 | -166.2 | 0 | 0 | 111.7 | S239 | S239-E241 VanDerWaalsContact C-N 3.27Å; S239-E241 WeakPolarHBondContact CB-OE2 3.47Å; S239-E241 PolarHBondContact O-N 2.98Å; S239-E241 PolarHBondContact OG-N 3.24Å; S239-E241 PolarHBondContact OG-OE2 2.81Å |
| 242 | M | 90.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 26% | 0.256 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -43.2 | 177.3 | -179.2 | 172.8 | -73.8 | 0 | 0 | 112.1 | V238 S239 Y240 S277 L278 Y279 | V238-M242 HydrophobicContact CG1-CB 4.13Å; V238-M242 HydrophobicContact CG1-CG 4.03Å; V238-M242 HydrophobicContact CG1-SD 4.07Å; S239-M242 PolarHBondContact O-N 3.38Å; S239-M242 PolarHBondContact OG-N 3.18Å; Y240-M242 VanDerWaalsContact C-N 3.32Å; M242-S277 WeakPolarHBondContact CE-O 3.36Å; M242-L278 HydrophobicContact CG-CB 4.44Å; M242-L278 HydrophobicContact CG-CD1 3.85Å; M242-L278 HydrophobicContact SD-CD1 3.64Å; M242-Y279 HydrophobicContact CE-CD1 3.72Å; M242-Y279 HydrophobicContact CE-CE1 3.63Å; M242-Y279 HydrophobicContact SD-CD1 3.95Å; M242-Y279 HydrophobicContact SD-CE1 3.77Å |
| 243 | Y | 91.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | trans | -150 | 109.2 | 177.7 | -168.9 | -91.3 | 0 | 0 | 0 | 109.6 | V57 L61 P228 R230 S239 Y240 W245 A247 Y248 L287 | V57-Y243 HydrophobicContact CG1-CE2 3.93Å; L61-Y243 HydrophobicContact CD1-CD2 4.35Å; L61-Y243 HydrophobicContact CD1-CE2 4.36Å; P228-Y243 HydrophobicContact CG-CD1 3.62Å; P228-Y243 HydrophobicContact CG-CE1 3.99Å; R230-Y243 VanDerWaalsContact CZ-O 3.25Å; R230-Y243 PolarHBondContact NH1-O 3.04Å; R230-Y243 PolarHBondContact NH2-O 2.74Å; S239-Y243 PolarHBondContact O-N 3.13Å; Y240-Y243 CarbonylContact O-C 3.47Å; Y243-W245 HydrophobicContact CD1-CB 4.36Å; Y243-W245 HydrophobicContact CD1-CE3 4.1Å; Y243-W245 WeakPolarHBondContact CD1-O 3.4Å; Y243-W245 AromaticContact CD2-CE3 3.8Å; Y243-W245 HydrophobicContact CD2-CE3 3.8Å; Y243-W245 AromaticContact CD2-CZ3 3.95Å; Y243-W245 HydrophobicContact CD2-CZ3 3.95Å; Y243-W245 HydrophobicContact CE1-CB 3.68Å; Y243-W245 AromaticContact CE1-CE3 3.86Å; Y243-W245 HydrophobicContact CE1-CE3 3.86Å; Y243-W245 WeakPolarHBondContact CE1-O 3.49Å; Y243-W245 AromaticContact CE2-CE3 3.52Å; Y243-W245 HydrophobicContact CE2-CE3 3.52Å; Y243-W245 AromaticContact CE2-CZ3 3.85Å; Y243-W245 HydrophobicContact CE2-CZ3 3.85Å; Y243-W245 HydrophobicContact CG-CE3 4.08Å; Y243-W245 AromaticContact CZ-CE3 3.54Å; Y243-A247 PolarHBondContact OH-O 3.48Å; Y243-Y248 AromaticContact CD1-CD1 3.93Å; Y243-Y248 HydrophobicContact CD1-CD1 3.93Å; Y243-Y248 AromaticContact CD1-CE1 3.6Å; Y243-Y248 HydrophobicContact CD1-CE1 3.6Å; Y243-Y248 HydrophobicContact CD2-CD1 4.32Å; Y243-Y248 HydrophobicContact CD2-CE1 4.12Å; Y243-Y248 AromaticContact CE1-CD1 3.55Å; Y243-Y248 HydrophobicContact CE1-CD1 3.55Å; Y243-Y248 AromaticContact CE1-CE1 3.75Å; Y243-Y248 HydrophobicContact CE1-CE1 3.75Å; Y243-Y248 HydrophobicContact CE2-CD1 4Å; Y243-Y248 HydrophobicContact CE2-CE1 4.27Å; Y243-Y248 HydrophobicContact CG-CD1 4.29Å; Y243-Y248 AromaticContact CG-CE1 3.79Å; Y243-Y248 HydrophobicContact CG-CE1 3.79Å; Y243-Y248 AromaticContact CZ-CD1 3.6Å; Y243-L287 HydrophobicContact CE2-CD2 4.02Å | ||
| 244 | Q | 90.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 42.2 Ų | 42.2 | 50% | 0.5 | 20% | 0.198 | S | C | . | . | trans | -82.7 | -19 | -171.2 | 66.2 | -172.7 | -54.8 | 0 | 0 | 114.4 | Y240 | Y240-Q244 VanDerWaalsContact O-CA 3.32Å; Y240-Q244 WeakPolarHBondContact O-CA 3.14Å; Y240-Q244 WeakPolarHBondContact O-CB 3.42Å; Y240-Q244 PolarHBondContact O-N 2.81Å | ||
| 245 | W | 91 | Very high | 93.2 | Very high | 26 Ų | 26 | 41 Ų | 41 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -84.8 | 156.6 | -169.7 | -54 | -79.3 | 0 | 0 | 0 | 113.7 | Y47 F56 V57 T60 L61 P228 R230 Y243 A247 | Y47-W245 HydrophobicContact CE1-CB 4.46Å; F56-W245 AromaticContact CD2-CD1 3.95Å; F56-W245 HydrophobicContact CD2-CD2 4.42Å; F56-W245 AromaticContact CD2-CE2 3.61Å; F56-W245 AromaticContact CD2-CZ2 3.96Å; F56-W245 HydrophobicContact CD2-CZ2 3.96Å; F56-W245 AromaticContact CD2-NE1 3.29Å; F56-W245 VanDerWaalsContact CD2-NE1 3.29Å; F56-W245 AromaticContact CE2-CD1 3.27Å; F56-W245 AromaticContact CE2-CD2 3.85Å; F56-W245 HydrophobicContact CE2-CD2 3.85Å; F56-W245 AromaticContact CE2-CE2 3.48Å; F56-W245 VanDerWaalsContact CE2-CE2 3.48Å; F56-W245 AromaticContact CE2-CG 3.68Å; F56-W245 HydrophobicContact CE2-CG 3.68Å; F56-W245 HydrophobicContact CE2-CZ2 4.22Å; F56-W245 AromaticContact CE2-NE1 3.1Å; V57-W245 HydrophobicContact CB-CH2 4.35Å; V57-W245 HydrophobicContact CB-CZ3 4.31Å; V57-W245 HydrophobicContact CG1-CE3 4.11Å; V57-W245 HydrophobicContact CG1-CH2 4.15Å; V57-W245 HydrophobicContact CG1-CZ3 3.76Å; V57-W245 HydrophobicContact CG2-CD2 3.93Å; V57-W245 HydrophobicContact CG2-CE3 3.98Å; V57-W245 HydrophobicContact CG2-CG 4.43Å; V57-W245 HydrophobicContact CG2-CH2 4.46Å; V57-W245 HydrophobicContact CG2-CZ2 4.42Å; V57-W245 HydrophobicContact CG2-CZ3 4.26Å; T60-W245 HydrophobicContact CG2-CH2 3.73Å; T60-W245 HydrophobicContact CG2-CZ2 3.91Å; L61-W245 HydrophobicContact CD1-CZ3 4.2Å; L61-W245 HydrophobicContact CD2-CZ3 4.33Å; L61-W245 HydrophobicContact CG-CH2 4.19Å; L61-W245 HydrophobicContact CG-CZ3 4.09Å; P228-W245 WeakPolarHBondContact CG-O 3.48Å; R230-W245 PolarHBondContact NH2-O 2.89Å; R230-W245 VanDerWaalsContact NH2-O 3.15Å; Y243-W245 HydrophobicContact CD1-CB 4.36Å; Y243-W245 HydrophobicContact CD1-CE3 4.1Å; Y243-W245 WeakPolarHBondContact CD1-O 3.4Å; Y243-W245 AromaticContact CD2-CE3 3.8Å; Y243-W245 HydrophobicContact CD2-CE3 3.8Å; Y243-W245 AromaticContact CD2-CZ3 3.95Å; Y243-W245 HydrophobicContact CD2-CZ3 3.95Å; Y243-W245 HydrophobicContact CE1-CB 3.68Å; Y243-W245 AromaticContact CE1-CE3 3.86Å; Y243-W245 HydrophobicContact CE1-CE3 3.86Å; Y243-W245 WeakPolarHBondContact CE1-O 3.49Å; Y243-W245 AromaticContact CE2-CE3 3.52Å; Y243-W245 HydrophobicContact CE2-CE3 3.52Å; Y243-W245 AromaticContact CE2-CZ3 3.85Å; Y243-W245 HydrophobicContact CE2-CZ3 3.85Å; Y243-W245 HydrophobicContact CG-CE3 4.08Å; Y243-W245 AromaticContact CZ-CE3 3.54Å; W245-A247 VanDerWaalsContact C-N 3.32Å; W245-A247 PolarHBondContact O-N 3.46Å |
| 246 | P | 90.4 | Very high | 93.4 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 25% | 0.253 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -74.6 | -14.4 | -176.9 | -19.3 | 33.8 | 0 | 0 | 0 | 115.5 | M28 Y47 P227 P228 | M28-P246 HydrophobicContact CE-CG 4.27Å; Y47-P246 HydrophobicContact CD2-CG 3.85Å; Y47-P246 HydrophobicContact CE2-CG 4.15Å; Y47-P246 HydrophobicContact CG-CB 4.25Å; Y47-P246 HydrophobicContact CG-CG 4.06Å; P227-P246 WeakPolarHBondContact CA-O 3.4Å; P228-P246 WeakPolarHBondContact CD-O 3.37Å |
| 247 | A | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -144.7 | 138.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S44 Y47 R48 Y54 Y243 W245 | S44-A247 WeakPolarHBondContact OG-CB 3.49Å; Y47-A247 HydrophobicContact CD1-CB 3.82Å; Y47-A247 HydrophobicContact CE1-CB 4.41Å; R48-A247 HydrophobicContact CG-CB 4.36Å; Y54-A247 WeakPolarHBondContact CE1-O 3.4Å; Y54-A247 WeakPolarHBondContact OH-CB 3.2Å; Y243-A247 PolarHBondContact OH-O 3.48Å; W245-A247 VanDerWaalsContact C-N 3.32Å; W245-A247 PolarHBondContact O-N 3.46Å |
| 248 | Y | 93.7 | Very high | 93.7 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 4% | 0.039 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 158.1 | 168.5 | -62.8 | -46.7 | 0 | 0 | 0 | 112 | Y54 G225 A226 P228 V238 Y243 Y251 V283 | Y54-Y248 PolarHBondContact OH-O 2.75Å; G225-Y248 WeakPolarHBondContact CA-O 3.42Å; A226-Y248 HydrophobicContact CB-CD2 4.43Å; A226-Y248 VanDerWaalsContact O-CD2 3.25Å; A226-Y248 WeakPolarHBondContact O-CD2 3.27Å; A226-Y248 PolarHBondContact O-N 3.39Å; P228-Y248 WeakPolarHBondContact CA-OH 3.38Å; P228-Y248 HydrophobicContact CB-CE1 4.09Å; P228-Y248 HydrophobicContact CB-CE2 4.21Å; P228-Y248 VanDerWaalsContact CB-OH 3.32Å; P228-Y248 WeakPolarHBondContact CB-OH 3.24Å; P228-Y248 HydrophobicContact CG-CD1 4.18Å; P228-Y248 HydrophobicContact CG-CE1 3.61Å; P228-Y248 HydrophobicContact CG-CE2 4.18Å; V238-Y248 VanDerWaalsContact CG2-OH 3.23Å; V238-Y248 WeakPolarHBondContact CG2-OH 3.47Å; Y243-Y248 AromaticContact CD1-CD1 3.93Å; Y243-Y248 HydrophobicContact CD1-CD1 3.93Å; Y243-Y248 AromaticContact CD1-CE1 3.6Å; Y243-Y248 HydrophobicContact CD1-CE1 3.6Å; Y243-Y248 HydrophobicContact CD2-CD1 4.32Å; Y243-Y248 HydrophobicContact CD2-CE1 4.12Å; Y243-Y248 AromaticContact CE1-CD1 3.55Å; Y243-Y248 HydrophobicContact CE1-CD1 3.55Å; Y243-Y248 AromaticContact CE1-CE1 3.75Å; Y243-Y248 HydrophobicContact CE1-CE1 3.75Å; Y243-Y248 HydrophobicContact CE2-CD1 4Å; Y243-Y248 HydrophobicContact CE2-CE1 4.27Å; Y243-Y248 HydrophobicContact CG-CD1 4.29Å; Y243-Y248 AromaticContact CG-CE1 3.79Å; Y243-Y248 HydrophobicContact CG-CE1 3.79Å; Y243-Y248 AromaticContact CZ-CD1 3.6Å; Y248-Y251 HydrophobicContact CD2-CE1 4.21Å; Y248-V283 HydrophobicContact CD1-CG1 3.39Å; Y248-V283 HydrophobicContact CD2-CG1 3.97Å; Y248-V283 HydrophobicContact CD2-CG2 3.67Å; Y248-V283 HydrophobicContact CE1-CG1 3.63Å; Y248-V283 HydrophobicContact CE2-CG1 4.18Å; Y248-V283 HydrophobicContact CE2-CG2 3.72Å; Y248-V283 HydrophobicContact CG-CG1 3.58Å; Y248-V283 HydrophobicContact CG-CG2 4.11Å |
| 249 | P | 93.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 165.6 | 160.9 | 28.9 | -35.5 | 0 | 0 | 0 | 110.6 | Y54 Y251 L287 N290 | Y54-P249 HydrophobicContact CD2-CB 4.38Å; Y54-P249 HydrophobicContact CG-CB 4.49Å; P249-Y251 WeakPolarHBondContact O-CD1 3.48Å; P249-Y251 PolarHBondContact O-N 3.26Å; P249-L287 HydrophobicContact CG-CD2 3.79Å; P249-L287 HydrophobicContact CG-CG 4.3Å; P249-N290 HydrophobicContact CB-CB 3.97Å; P249-N290 HydrophobicContact CG-CB 4.43Å |
| 250 | D | 94.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 28.3 Ų | 28.3 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 134.3 | 176.1 | -69 | -10.5 | 0 | 0 | 0 | 109.8 | R48 V222 H223 R224 G225 P296 | R48-D250 IonicContact CZ-OD1 3.18Å; R48-D250 IonicContact CZ-OD2 3.83Å; R48-D250 IonicContact NH1-OD1 2.71Å; R48-D250 PolarHBondContact NH1-OD1 3.42Å; R48-D250 IonicContact NH1-OD2 3.77Å; R48-D250 IonicContact NH2-OD1 3.07Å; R48-D250 PolarHBondContact NH2-OD1 3.22Å; R48-D250 IonicContact NH2-OD2 2.97Å; R48-D250 PolarHBondContact NH2-OD2 2.91Å; V222-D250 HydrophobicContact CG1-CB 4.29Å; H223-D250 WeakPolarHBondContact O-CA 3.32Å; R224-D250 WeakPolarHBondContact CA-OD1 3.28Å; G225-D250 PolarHBondContact N-OD1 3.21Å; D250-P296 HydrophobicContact CB-CG 3.93Å |
| 251 | Y | 96.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 24 Ų | 24 | 8% | 0.082 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 161.9 | -179.2 | 68.6 | -82.6 | 0 | 0 | 0 | 111.2 | V222 H223 A226 Y248 P249 D282 V283 | V222-Y251 CarbonylContact C-O 3.56Å; V222-Y251 VanDerWaalsContact CA-O 3.32Å; V222-Y251 WeakPolarHBondContact CA-O 3.45Å; H223-Y251 HydrophobicContact CB-CD1 3.99Å; H223-Y251 HydrophobicContact CB-CD2 4.36Å; H223-Y251 HydrophobicContact CB-CE1 3.52Å; H223-Y251 HydrophobicContact CB-CE2 3.92Å; H223-Y251 HydrophobicContact CB-CG 4.38Å; H223-Y251 VanDerWaalsContact CB-CZ 3.47Å; H223-Y251 AromaticContact CD2-CE2 3.71Å; H223-Y251 AromaticContact CD2-CZ 3.99Å; H223-Y251 AromaticContact CG-CE2 3.93Å; H223-Y251 AromaticContact CG-CZ 3.73Å; H223-Y251 PolarHBondContact N-O 3.31Å; H223-Y251 PolarHBondContact O-N 3Å; A226-Y251 HydrophobicContact CB-CE1 3.96Å; Y248-Y251 HydrophobicContact CD2-CE1 4.21Å; P249-Y251 WeakPolarHBondContact O-CD1 3.48Å; P249-Y251 PolarHBondContact O-N 3.26Å; Y251-D282 WeakPolarHBondContact CB-O 3.32Å; Y251-D282 HydrophobicContact CD2-CB 3.93Å; Y251-D282 HydrophobicContact CE2-CB 4.25Å; Y251-D282 WeakPolarHBondContact CE2-OD2 3.07Å; Y251-V283 HydrophobicContact CD1-CG2 4.22Å; Y251-V283 HydrophobicContact CD2-CG2 4.39Å; Y251-V283 HydrophobicContact CE1-CG2 3.85Å; Y251-V283 HydrophobicContact CE2-CG2 4.04Å; Y251-V283 HydrophobicContact CG-CG2 4.49Å |
| 252 | T | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 143.3 | 171.6 | 51.1 | 0 | 0 | 0 | 0 | 111 | W218 R221 V222 G254 Y257 D282 P296 | W218-T252 HydrophobicContact CZ2-CG2 4.1Å; W218-T252 WeakPolarHBondContact CZ2-OG1 3.16Å; W218-T252 PolarHBondContact NE1-OG1 3.18Å; R221-T252 CarbonylContact O-C 3.51Å; R221-T252 VanDerWaalsContact O-CA 3.24Å; R221-T252 WeakPolarHBondContact O-CA 3.47Å; V222-T252 HydrophobicContact CG2-CG2 4.06Å; T252-G254 PolarHBondContact O-N 2.85Å; T252-Y257 VanDerWaalsContact OG1-CB 3.3Å; T252-Y257 WeakPolarHBondContact OG1-CB 3.21Å; T252-Y257 VanDerWaalsContact OG1-CD1 3.28Å; T252-Y257 WeakPolarHBondContact OG1-CD1 3.31Å; T252-D282 WeakPolarHBondContact O-CB 3.4Å; T252-P296 HydrophobicContact CG2-CB 3.88Å |
| 253 | A | 94.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 15.6 Ų | 15.6 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.2 | 137.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R221 H223 A255 A256 | R221-A253 HydrophobicContact CB-CB 4.06Å; R221-A253 HydrophobicContact CG-CB 4.2Å; R221-A253 PolarHBondContact O-N 3.49Å; H223-A253 WeakPolarHBondContact NE2-CB 3.23Å; A253-A255 HydrophobicContact CB-CB 4.47Å; A253-A255 PolarHBondContact O-N 3.29Å; A253-A256 PolarHBondContact O-N 3.24Å |
| 254 | G | 90.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 7% | 0.072 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | -14.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K94 T252 D282 | K94-G254 PolarHBondContact NZ-O 3.02Å; T252-G254 PolarHBondContact O-N 2.85Å; G254-D282 PolarHBondContact N-OD2 3.37Å |
| 255 | A | 94.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 12.2 Ų | 12.2 | 7% | 0.066 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | -55.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A191 D192 I195 A253 | A191-A255 CarbonylContact C-O 3.59Å; A191-A255 WeakPolarHBondContact CA-O 3.23Å; D192-A255 PolarHBondContact N-O 3.46Å; I195-A255 HydrophobicContact CD1-CB 3.83Å; I195-A255 HydrophobicContact CG1-CB 4.46Å; I195-A255 WeakPolarHBondContact CG1-O 3.13Å; A253-A255 HydrophobicContact CB-CB 4.47Å; A253-A255 PolarHBondContact O-N 3.29Å |
| 256 | A | 97.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 142 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M189 T190 A191 I195 A253 T320 | M189-A256 HydrophobicContact CE-CB 3.87Å; T190-A256 VanDerWaalsContact O-CA 3.28Å; T190-A256 WeakPolarHBondContact O-CA 3.28Å; A191-A256 HydrophobicContact CB-CB 4.17Å; I195-A256 HydrophobicContact CG2-CB 4.38Å; A253-A256 PolarHBondContact O-N 3.24Å; A256-T320 HydrophobicContact CB-CG2 3.96Å |
| 257 | Y | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160.4 | 170.3 | 63.1 | -102.6 | 0 | 0 | 0 | 111.4 | L171 M189 T190 W218 I219 T252 I259 M285 | L171-Y257 WeakPolarHBondContact CD1-OH 3.41Å; M189-Y257 WeakPolarHBondContact CA-O 3.22Å; M189-Y257 WeakPolarHBondContact CG-O 3.22Å; T190-Y257 HydrophobicContact CG2-CD1 3.58Å; T190-Y257 HydrophobicContact CG2-CD2 4.15Å; T190-Y257 HydrophobicContact CG2-CE1 3.1Å; T190-Y257 HydrophobicContact CG2-CE2 3.72Å; T190-Y257 HydrophobicContact CG2-CG 4.08Å; T190-Y257 WeakPolarHBondContact CG2-OH 3.29Å; T190-Y257 PolarHBondContact N-O 3.03Å; T190-Y257 PolarHBondContact O-N 3.42Å; W218-Y257 AromaticContact NE1-CD2 3.76Å; W218-Y257 AromaticContact NE1-CG 3.86Å; I219-Y257 WeakPolarHBondContact O-CA 3.36Å; I219-Y257 VanDerWaalsContact O-CB 3.25Å; I219-Y257 WeakPolarHBondContact O-CB 3.22Å; T252-Y257 VanDerWaalsContact OG1-CB 3.3Å; T252-Y257 WeakPolarHBondContact OG1-CB 3.21Å; T252-Y257 VanDerWaalsContact OG1-CD1 3.28Å; T252-Y257 WeakPolarHBondContact OG1-CD1 3.31Å; Y257-I259 HydrophobicContact CD2-CG2 4.05Å; Y257-I259 HydrophobicContact CE2-CG2 4.19Å; Y257-M285 HydrophobicContact CE2-CE 4.36Å |
| 258 | V | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139.1 | 175 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | F187 L188 M189 L202 L206 F217 W218 I219 F302 | F187-V258 HydrophobicContact CB-CG1 4.02Å; F187-V258 HydrophobicContact CD1-CG1 4.22Å; F187-V258 HydrophobicContact CG-CG1 4.42Å; L188-V258 CarbonylContact O-C 3.49Å; L188-V258 WeakPolarHBondContact O-CA 3.46Å; M189-V258 HydrophobicContact CB-CG2 4.07Å; M189-V258 HydrophobicContact CG-CG2 3.98Å; M189-V258 HydrophobicContact SD-CG2 3.98Å; L202-V258 HydrophobicContact CD1-CG2 4.14Å; L206-V258 HydrophobicContact CD2-CG1 3.93Å; F217-V258 HydrophobicContact CE1-CG1 4.44Å; W218-V258 CarbonylContact C-O 3.54Å; W218-V258 WeakPolarHBondContact CA-O 3.21Å; I219-V258 HydrophobicContact CD1-CB 4.38Å; I219-V258 HydrophobicContact CG1-CB 3.89Å; I219-V258 PolarHBondContact N-O 2.93Å; I219-V258 PolarHBondContact O-N 3.41Å; V258-F302 HydrophobicContact CG2-CE1 4.3Å; V258-F302 HydrophobicContact CG2-CZ 3.97Å |
| 259 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.7 | 171.8 | 60.4 | 179.7 | 0 | 0 | 0 | 110.9 | F175 F187 L188 F217 W218 Y257 V263 A264 M285 | F175-I259 HydrophobicContact CE1-CD1 3.42Å; F175-I259 VanDerWaalsContact CE1-CD1 3.42Å; F175-I259 HydrophobicContact CZ-CD1 3.78Å; F187-I259 CarbonylContact C-O 3.49Å; F187-I259 VanDerWaalsContact CA-O 3.28Å; F187-I259 WeakPolarHBondContact CA-O 3.35Å; L188-I259 HydrophobicContact CB-CD1 4.32Å; L188-I259 HydrophobicContact CB-CG1 3.85Å; L188-I259 HydrophobicContact CD2-CD1 4.07Å; L188-I259 HydrophobicContact CD2-CG1 4.11Å; L188-I259 PolarHBondContact N-O 3.21Å; L188-I259 PolarHBondContact O-N 2.9Å; F217-I259 CarbonylContact O-C 3.56Å; F217-I259 WeakPolarHBondContact O-CA 3.2Å; W218-I259 HydrophobicContact CB-CG2 3.84Å; W218-I259 HydrophobicContact CD2-CG2 4.46Å; W218-I259 HydrophobicContact CG-CG2 3.62Å; Y257-I259 HydrophobicContact CD2-CG2 4.05Å; Y257-I259 HydrophobicContact CE2-CG2 4.19Å; I259-V263 HydrophobicContact CB-CB 4.15Å; I259-V263 HydrophobicContact CB-CG1 3.96Å; I259-V263 HydrophobicContact CD1-CG1 4.33Å; I259-V263 HydrophobicContact CG2-CG1 4Å; I259-A264 HydrophobicContact CD1-CB 3.7Å; I259-A264 HydrophobicContact CG1-CB 4.31Å; I259-M285 HydrophobicContact CD1-CE 4.35Å; I259-M285 HydrophobicContact CG2-CE 4.08Å |
| 260 | S | 98.7 | Very high | 96.7 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 156.5 | 167.3 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | F217 D262 V263 A264 | F217-S260 PolarHBondContact N-OG 2.96Å; F217-S260 VanDerWaalsContact N-OG 3.11Å; F217-S260 PolarHBondContact O-N 3.35Å; S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 WeakPolarHBondContact CB-OD1 3.49Å; S260-D262 PolarHBondContact O-N 3.29Å; S260-D262 PolarHBondContact OG-OD1 2.99Å; S260-V263 PolarHBondContact O-N 3.33Å; S260-V263 VanDerWaalsContact O-N 3.09Å; S260-V263 WeakPolarHBondContact OG-CG2 3.41Å; S260-A264 PolarHBondContact O-N 2.5Å |
| 261 | G | 98.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 19.3 Ų | 19.3 | 23% | 0.227 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.9 | -35 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K186 A264 A265 | K186-G261 PolarHBondContact O-N 3.11Å; G261-A264 WeakPolarHBondContact O-CB 3.3Å; G261-A264 PolarHBondContact O-N 3.34Å; G261-A265 PolarHBondContact O-N 3.2Å; G261-A265 VanDerWaalsContact O-N 3.08Å |
| 262 | D | 98.2 | Very high | 96.4 | Very high | 42 Ų | 42 | 23.6 Ų | 23.6 | 23% | 0.225 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 175.9 | 71.4 | -64.3 | 0 | 0 | 0 | 112.3 | D216 S260 A264 A265 K266 | D216-D262 PolarHBondContact N-OD2 3.26Å; D216-D262 VanDerWaalsContact N-OD2 3.14Å; S260-D262 VanDerWaalsContact C-N 3.26Å; S260-D262 WeakPolarHBondContact CB-OD1 3.49Å; S260-D262 PolarHBondContact O-N 3.29Å; S260-D262 PolarHBondContact OG-OD1 2.99Å; D262-A264 VanDerWaalsContact C-N 3.33Å; D262-A265 PolarHBondContact O-N 2.98Å; D262-K266 VanDerWaalsContact O-CG 3.26Å; D262-K266 WeakPolarHBondContact O-CG 2.8Å; D262-K266 PolarHBondContact O-N 3.22Å; D262-K266 IonicContact OD2-NZ 2.86Å; D262-K266 PolarHBondContact OD2-NZ 3.07Å |
| 263 | V | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | I259 S260 A265 K266 V267 I294 | I259-V263 HydrophobicContact CB-CB 4.15Å; I259-V263 HydrophobicContact CB-CG1 3.96Å; I259-V263 HydrophobicContact CD1-CG1 4.33Å; I259-V263 HydrophobicContact CG2-CG1 4Å; S260-V263 PolarHBondContact O-N 3.33Å; S260-V263 VanDerWaalsContact O-N 3.09Å; S260-V263 WeakPolarHBondContact OG-CG2 3.41Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 2.94Å; V263-K266 PolarHBondContact O-N 3.36Å; V263-V267 HydrophobicContact CG1-CG2 4.07Å; V263-V267 WeakPolarHBondContact O-CB 3.43Å; V263-V267 VanDerWaalsContact O-CG2 3.23Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 2.66Å; V263-I294 HydrophobicContact CG1-CG2 4.23Å; V263-I294 HydrophobicContact CG2-CD1 4.23Å; V263-I294 HydrophobicContact CG2-CG1 4.41Å; V263-I294 HydrophobicContact CG2-CG2 4.33Å |
| 264 | A | 98.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 26.2 Ų | 26.2 | 7% | 0.074 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F175 L188 I259 S260 G261 D262 Y268 | F175-A264 HydrophobicContact CD1-CB 4.38Å; F175-A264 WeakPolarHBondContact CD1-O 3.46Å; F175-A264 HydrophobicContact CE1-CB 4.31Å; L188-A264 HydrophobicContact CB-CB 4.34Å; L188-A264 HydrophobicContact CD1-CB 4.16Å; I259-A264 HydrophobicContact CD1-CB 3.7Å; I259-A264 HydrophobicContact CG1-CB 4.31Å; S260-A264 PolarHBondContact O-N 2.5Å; G261-A264 WeakPolarHBondContact O-CB 3.3Å; G261-A264 PolarHBondContact O-N 3.34Å; D262-A264 VanDerWaalsContact C-N 3.33Å; A264-Y268 PolarHBondContact O-N 3.49Å |
| 265 | A | 97.9 | Very high | 95.7 | Very high | 29 Ų | 29 | 28.9 Ų | 28.9 | 24% | 0.24 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.6 | -48.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G261 D262 V263 V267 Y268 E269 | G261-A265 PolarHBondContact O-N 3.2Å; G261-A265 VanDerWaalsContact O-N 3.08Å; D262-A265 PolarHBondContact O-N 2.98Å; V263-A265 VanDerWaalsContact C-N 3.34Å; V263-A265 PolarHBondContact O-N 2.94Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 3.4Å; A265-Y268 WeakPolarHBondContact O-CB 3.3Å; A265-Y268 PolarHBondContact O-N 3.34Å; A265-E269 PolarHBondContact O-N 3.03Å |
| 266 | K | 97.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 30.6 Ų | 30.6 | 29% | 0.287 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.8 | -39.6 | 179 | -68.4 | 166.2 | -175 | 160.1 | 0 | 112.2 | D216 D262 V263 E269 A270 I292 | D216-K266 IonicContact OD1-NZ 2.58Å; D216-K266 PolarHBondContact OD1-NZ 2.9Å; D262-K266 VanDerWaalsContact O-CG 3.26Å; D262-K266 WeakPolarHBondContact O-CG 2.8Å; D262-K266 PolarHBondContact O-N 3.22Å; D262-K266 IonicContact OD2-NZ 2.86Å; D262-K266 PolarHBondContact OD2-NZ 3.07Å; V263-K266 PolarHBondContact O-N 3.36Å; K266-E269 PolarHBondContact O-N 3.43Å; K266-A270 WeakPolarHBondContact O-CB 3.29Å; K266-A270 PolarHBondContact O-N 3.33Å; K266-I292 HydrophobicContact CB-CD1 3.42Å; K266-I292 VanDerWaalsContact CB-CD1 3.42Å; K266-I292 HydrophobicContact CB-CG2 4.39Å; K266-I292 HydrophobicContact CD-CD1 4.47Å |
| 267 | V | 97 | Very high | 95 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -43.1 | 177.2 | 166 | 0 | 0 | 0 | 0 | 111.1 | F175 V263 A265 E269 A270 S271 M285 C288 I292 | F175-V267 HydrophobicContact CD1-CB 4.07Å; F175-V267 HydrophobicContact CD1-CG1 3.75Å; F175-V267 HydrophobicContact CD2-CG1 4.36Å; F175-V267 HydrophobicContact CE1-CB 3.76Å; F175-V267 HydrophobicContact CE1-CG1 3.47Å; F175-V267 VanDerWaalsContact CE1-CG1 3.47Å; F175-V267 HydrophobicContact CE1-CG2 4.48Å; F175-V267 HydrophobicContact CE2-CG1 4.15Å; F175-V267 HydrophobicContact CG-CG1 4.19Å; F175-V267 HydrophobicContact CZ-CB 4.39Å; F175-V267 HydrophobicContact CZ-CG1 3.72Å; V263-V267 HydrophobicContact CG1-CG2 4.07Å; V263-V267 WeakPolarHBondContact O-CB 3.43Å; V263-V267 VanDerWaalsContact O-CG2 3.23Å; V263-V267 WeakPolarHBondContact O-CG2 3.35Å; V263-V267 PolarHBondContact O-N 2.66Å; A265-V267 VanDerWaalsContact C-N 3.32Å; A265-V267 PolarHBondContact O-N 3.4Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.5Å; V267-A270 PolarHBondContact O-N 2.02Å; V267-S271 WeakPolarHBondContact O-CB 2.94Å; V267-S271 PolarHBondContact O-N 3.29Å; V267-M285 HydrophobicContact CB-CE 4.5Å; V267-M285 HydrophobicContact CB-SD 4.4Å; V267-M285 HydrophobicContact CG1-CE 4.27Å; V267-M285 HydrophobicContact CG1-SD 3.58Å; V267-M285 VanDerWaalsContact CG1-SD 3.58Å; V267-M285 HydrophobicContact CG2-CE 3.66Å; V267-M285 HydrophobicContact CG2-SD 4Å; V267-C288 HydrophobicContact CG1-CB 4.01Å; V267-I292 HydrophobicContact CG2-CD1 3.87Å |
| 268 | Y | 96.1 | Very high | 94.7 | Very high | 44 Ų | 44 | 34.3 Ų | 34.3 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -51.4 | 174.7 | 173.7 | -108.9 | 0 | 0 | 0 | 110.4 | F175 S176 N179 A264 A265 A270 S271 Q272 | F175-Y268 HydrophobicContact CB-CD2 4.35Å; S176-Y268 VanDerWaalsContact CA-CE2 3.47Å; N179-Y268 HydrophobicContact CB-CD1 3.94Å; N179-Y268 HydrophobicContact CB-CE1 4.4Å; N179-Y268 HydrophobicContact CB-CG 4.08Å; N179-Y268 VanDerWaalsContact ND2-CD1 3.28Å; N179-Y268 WeakPolarHBondContact ND2-CD1 3.38Å; N179-Y268 WeakPolarHBondContact ND2-CE1 3.44Å; A264-Y268 PolarHBondContact O-N 3.49Å; A265-Y268 WeakPolarHBondContact O-CB 3.3Å; A265-Y268 PolarHBondContact O-N 3.34Å; Y268-A270 PolarHBondContact O-N 2.63Å; Y268-S271 PolarHBondContact O-N 3.23Å; Y268-S271 PolarHBondContact O-OG 3.46Å; Y268-Q272 WeakPolarHBondContact O-CG 3.28Å; Y268-Q272 PolarHBondContact O-N 3.31Å |
| 269 | E | 94.5 | Very high | 94.5 | Very high | 130 Ų | 130 | 35.7 Ų | 35.7 | 61% | 0.607 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -57.9 | -45.9 | 177.2 | -68.9 | -179.4 | 174.4 | 0 | 0 | 112.6 | A265 K266 V267 S271 Q272 | A265-E269 PolarHBondContact O-N 3.03Å; K266-E269 PolarHBondContact O-N 3.43Å; V267-E269 VanDerWaalsContact C-N 3.34Å; V267-E269 PolarHBondContact O-N 3.5Å; E269-S271 VanDerWaalsContact C-N 3.32Å; E269-S271 PolarHBondContact O-N 2.92Å; E269-Q272 PolarHBondContact O-N 2.86Å |
| 270 | A | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K266 V267 Y268 Q272 T273 L274 C288 I292 | K266-A270 WeakPolarHBondContact O-CB 3.29Å; K266-A270 PolarHBondContact O-N 3.33Å; V267-A270 PolarHBondContact O-N 2.02Å; Y268-A270 PolarHBondContact O-N 2.63Å; A270-Q272 PolarHBondContact O-N 2.96Å; A270-T273 PolarHBondContact O-N 3.27Å; A270-T273 PolarHBondContact O-OG1 3.12Å; A270-L274 PolarHBondContact O-N 2.96Å; A270-C288 HydrophobicContact CB-CB 4.15Å; A270-I292 HydrophobicContact CB-CG2 3.79Å |
| 271 | S | 93.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -28.4 | -178.1 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | L172 V267 Y268 E269 T273 L274 | L172-S271 VanDerWaalsContact CD2-CB 3.45Å; L172-S271 WeakPolarHBondContact CD2-OG 3.37Å; V267-S271 WeakPolarHBondContact O-CB 2.94Å; V267-S271 PolarHBondContact O-N 3.29Å; Y268-S271 PolarHBondContact O-N 3.23Å; Y268-S271 PolarHBondContact O-OG 3.46Å; E269-S271 VanDerWaalsContact C-N 3.32Å; E269-S271 PolarHBondContact O-N 2.92Å; S271-T273 PolarHBondContact O-N 3.03Å; S271-L274 PolarHBondContact O-N 3.49Å |
| 272 | Q | 90.8 | Very high | 94.2 | Very high | 111 Ų | 111 | 36.7 Ų | 36.7 | 52% | 0.519 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -14.5 | 176.1 | -59.6 | -62.9 | 79.1 | 0 | 0 | 112.9 | Y268 E269 A270 | Y268-Q272 WeakPolarHBondContact O-CG 3.28Å; Y268-Q272 PolarHBondContact O-N 3.31Å; E269-Q272 PolarHBondContact O-N 2.86Å; A270-Q272 PolarHBondContact O-N 2.96Å |
| 273 | T | 90.5 | Very high | 94.1 | Very high | 58 Ų | 58 | 34.7 Ų | 34.7 | 36% | 0.356 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -9 | -176.5 | 72.2 | 0 | 0 | 0 | 0 | 113.8 | S62 L63 A270 S271 K291 | S62-T273 WeakPolarHBondContact CA-O 3.38Å; L63-T273 PolarHBondContact N-O 3.36Å; A270-T273 PolarHBondContact O-N 3.27Å; A270-T273 PolarHBondContact O-OG1 3.12Å; S271-T273 PolarHBondContact O-N 3.03Å; T273-K291 VanDerWaalsContact OG1-CE 3.3Å; T273-K291 WeakPolarHBondContact OG1-CE 3.41Å; T273-K291 PolarHBondContact OG1-NZ 3.33Å |
| 274 | L | 89.6 | Confident | 94.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | B | Isolated β-bridge | trans | -107.1 | 149.3 | -175.7 | -70.3 | 175.2 | 0 | 0 | 0 | 111 | L61 A270 S271 S276 F284 L287 C288 K291 | L61-L274 HydrophobicContact CB-CD2 4.3Å; A270-L274 PolarHBondContact O-N 2.96Å; S271-L274 PolarHBondContact O-N 3.49Å; L274-S276 PolarHBondContact O-N 2.86Å; L274-F284 HydrophobicContact CB-CE2 4.11Å; L274-F284 HydrophobicContact CB-CZ 4.16Å; L274-L287 HydrophobicContact CD1-CB 4.4Å; L274-C288 HydrophobicContact CD1-CB 4.46Å; L274-K291 HydrophobicContact CD1-CD 4.17Å; L274-K291 HydrophobicContact CD2-CD 3.98Å; L274-K291 HydrophobicContact CG-CD 4.02Å |
| 275 | N | 88.9 | Confident | 94 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | trans | -70.6 | 111.7 | 173.3 | -175.9 | -10.7 | 0 | 0 | 0 | 110.7 | L61 L63 S277 F284 | L61-N275 WeakPolarHBondContact O-CB 3.2Å; L61-N275 PolarHBondContact O-N 2.93Å; L63-N275 HydrophobicContact CD2-CB 3.99Å; N275-S277 PolarHBondContact O-N 3.35Å; N275-S277 WeakPolarHBondContact OD1-CB 3.28Å; N275-S277 PolarHBondContact OD1-N 3.35Å; N275-S277 PolarHBondContact OD1-OG 2.92Å; N275-F284 WeakPolarHBondContact O-CE2 3.04Å | ||
| 276 | S | 88.4 | Confident | 93.9 | Very high | 43 Ų | 43 | 33 Ų | 33 | 30% | 0.301 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 15.6 | -179.1 | 55.5 | 0 | 0 | 0 | 0 | 114.9 | L274 L278 | L274-S276 PolarHBondContact O-N 2.86Å; S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.78Å |
| 277 | S | 89.2 | Confident | 93.8 | Very high | 75 Ų | 75 | 30 Ų | 30 | 52% | 0.524 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -19.2 | 177.8 | -57.6 | 0 | 0 | 0 | 0 | 113.7 | M242 N275 Y279 | M242-S277 WeakPolarHBondContact CE-O 3.36Å; N275-S277 PolarHBondContact O-N 3.35Å; N275-S277 WeakPolarHBondContact OD1-CB 3.28Å; N275-S277 PolarHBondContact OD1-N 3.35Å; N275-S277 PolarHBondContact OD1-OG 2.92Å; S277-Y279 PolarHBondContact O-N 3.26Å |
| 278 | L | 92.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | trans | -71.1 | 111.8 | 173.4 | 177.2 | 66.2 | 0 | 0 | 0 | 108.5 | T168 V238 M242 S276 I280 V283 L287 | T168-L278 WeakPolarHBondContact CB-O 3.45Å; T168-L278 PolarHBondContact OG1-O 3.12Å; V238-L278 HydrophobicContact CG1-CD1 4.06Å; V238-L278 HydrophobicContact CG2-CD1 4.11Å; M242-L278 HydrophobicContact CG-CB 4.44Å; M242-L278 HydrophobicContact CG-CD1 3.85Å; M242-L278 HydrophobicContact SD-CD1 3.64Å; S276-L278 VanDerWaalsContact C-N 3.27Å; S276-L278 PolarHBondContact O-N 2.78Å; L278-I280 HydrophobicContact CD1-CB 4.44Å; L278-I280 HydrophobicContact CD1-CG1 4.35Å; L278-I280 HydrophobicContact CG-CB 4.48Å; L278-I280 PolarHBondContact O-N 3.49Å; L278-V283 HydrophobicContact CD2-CB 4.15Å; L278-V283 HydrophobicContact CD2-CG1 3.62Å; L278-L287 HydrophobicContact CD2-CD1 3.69Å | ||
| 279 | Y | 93.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | trans | -82.4 | -9.8 | -173.1 | 52.1 | -101.1 | 0 | 0 | 0 | 115.2 | F164 Y165 T168 Y237 M242 S277 D281 | F164-Y279 HydrophobicContact CD1-CD2 4.41Å; F164-Y279 AromaticContact CE1-CD2 3.96Å; F164-Y279 HydrophobicContact CE1-CD2 3.96Å; F164-Y279 AromaticContact CE1-CE2 3.95Å; F164-Y279 HydrophobicContact CE1-CE2 3.95Å; Y165-Y279 AromaticContact CD1-CD1 3.9Å; Y165-Y279 HydrophobicContact CD1-CD1 3.9Å; Y165-Y279 AromaticContact CD1-CD2 3.83Å; Y165-Y279 HydrophobicContact CD1-CD2 3.83Å; Y165-Y279 AromaticContact CD1-CE1 3.8Å; Y165-Y279 HydrophobicContact CD1-CE1 3.8Å; Y165-Y279 AromaticContact CD1-CE2 3.78Å; Y165-Y279 HydrophobicContact CD1-CE2 3.78Å; Y165-Y279 AromaticContact CD1-CG 3.88Å; Y165-Y279 HydrophobicContact CD1-CG 3.88Å; Y165-Y279 AromaticContact CD1-CZ 3.73Å; Y165-Y279 HydrophobicContact CE1-CD2 4.38Å; Y165-Y279 HydrophobicContact CE1-CE1 4.14Å; Y165-Y279 AromaticContact CE1-CE2 3.87Å; Y165-Y279 HydrophobicContact CE1-CE2 3.87Å; Y165-Y279 AromaticContact CE1-CZ 3.7Å; Y165-Y279 WeakPolarHBondContact O-CB 3.43Å; T168-Y279 PolarHBondContact OG1-O 3.43Å; Y237-Y279 PolarHBondContact O-OH 2.82Å; M242-Y279 HydrophobicContact CE-CD1 3.72Å; M242-Y279 HydrophobicContact CE-CE1 3.63Å; M242-Y279 HydrophobicContact SD-CD1 3.95Å; M242-Y279 HydrophobicContact SD-CE1 3.77Å; S277-Y279 PolarHBondContact O-N 3.26Å; Y279-D281 PolarHBondContact O-N 3.24Å; Y279-D281 VanDerWaalsContact O-N 3.09Å | ||
| 280 | I | 96.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | trans | -76.5 | 94.8 | 174.2 | -51.4 | -63.1 | 0 | 0 | 0 | 107.7 | F164 Y236 V238 L278 D282 V283 F284 | F164-I280 HydrophobicContact CE1-CD1 4.11Å; F164-I280 HydrophobicContact CZ-CD1 3.98Å; Y236-I280 HydrophobicContact CD1-CD1 4.13Å; V238-I280 HydrophobicContact CG2-CG1 3.87Å; L278-I280 HydrophobicContact CD1-CB 4.44Å; L278-I280 HydrophobicContact CD1-CG1 4.35Å; L278-I280 HydrophobicContact CG-CB 4.48Å; L278-I280 PolarHBondContact O-N 3.49Å; I280-D282 WeakPolarHBondContact CG2-OD1 3.39Å; I280-D282 PolarHBondContact O-N 3.09Å; I280-V283 HydrophobicContact CB-CB 4.15Å; I280-V283 HydrophobicContact CB-CG2 4.23Å; I280-V283 HydrophobicContact CG2-CB 3.82Å; I280-V283 HydrophobicContact CG2-CG2 3.46Å; I280-V283 VanDerWaalsContact CG2-CG2 3.46Å; I280-V283 PolarHBondContact O-N 2.89Å; I280-F284 PolarHBondContact O-N 3.2Å | ||
| 281 | D | 96.6 | Very high | 93.6 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 6% | 0.064 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -44.2 | -169 | 62.8 | -30.6 | 0 | 0 | 0 | 113 | K94 L167 T168 L171 Y279 V283 F284 M285 | K94-D281 IonicContact NZ-OD2 2.74Å; K94-D281 PolarHBondContact NZ-OD2 2.79Å; L167-D281 HydrophobicContact CB-CB 3.93Å; T168-D281 WeakPolarHBondContact OG1-CA 3.38Å; L171-D281 HydrophobicContact CB-CB 4.18Å; L171-D281 HydrophobicContact CD2-CB 4.28Å; L171-D281 WeakPolarHBondContact CD2-O 3.26Å; Y279-D281 PolarHBondContact O-N 3.24Å; Y279-D281 VanDerWaalsContact O-N 3.09Å; D281-V283 PolarHBondContact O-N 3.17Å; D281-F284 PolarHBondContact O-N 2.86Å; D281-M285 PolarHBondContact O-N 2.87Å |
| 282 | D | 96.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | 180 | 63.8 | -7.1 | 0 | 0 | 0 | 113.2 | Y251 T252 G254 I280 M285 G286 | Y251-D282 WeakPolarHBondContact CB-O 3.32Å; Y251-D282 HydrophobicContact CD2-CB 3.93Å; Y251-D282 HydrophobicContact CE2-CB 4.25Å; Y251-D282 WeakPolarHBondContact CE2-OD2 3.07Å; T252-D282 WeakPolarHBondContact O-CB 3.4Å; G254-D282 PolarHBondContact N-OD2 3.37Å; I280-D282 WeakPolarHBondContact CG2-OD1 3.39Å; I280-D282 PolarHBondContact O-N 3.09Å; D282-M285 WeakPolarHBondContact O-CB 3.1Å; D282-G286 PolarHBondContact O-N 3.21Å; D282-G286 VanDerWaalsContact O-N 3.14Å |
| 283 | V | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.1 | -42 | 169.3 | 176.5 | 0 | 0 | 0 | 0 | 111 | Y248 Y251 L278 I280 D281 M285 G286 L287 | Y248-V283 HydrophobicContact CD1-CG1 3.39Å; Y248-V283 HydrophobicContact CD2-CG1 3.97Å; Y248-V283 HydrophobicContact CD2-CG2 3.67Å; Y248-V283 HydrophobicContact CE1-CG1 3.63Å; Y248-V283 HydrophobicContact CE2-CG1 4.18Å; Y248-V283 HydrophobicContact CE2-CG2 3.72Å; Y248-V283 HydrophobicContact CG-CG1 3.58Å; Y248-V283 HydrophobicContact CG-CG2 4.11Å; Y251-V283 HydrophobicContact CD1-CG2 4.22Å; Y251-V283 HydrophobicContact CD2-CG2 4.39Å; Y251-V283 HydrophobicContact CE1-CG2 3.85Å; Y251-V283 HydrophobicContact CE2-CG2 4.04Å; Y251-V283 HydrophobicContact CG-CG2 4.49Å; L278-V283 HydrophobicContact CD2-CB 4.15Å; L278-V283 HydrophobicContact CD2-CG1 3.62Å; I280-V283 HydrophobicContact CB-CB 4.15Å; I280-V283 HydrophobicContact CB-CG2 4.23Å; I280-V283 HydrophobicContact CG2-CB 3.82Å; I280-V283 HydrophobicContact CG2-CG2 3.46Å; I280-V283 VanDerWaalsContact CG2-CG2 3.46Å; I280-V283 PolarHBondContact O-N 2.89Å; D281-V283 PolarHBondContact O-N 3.17Å; V283-M285 VanDerWaalsContact C-N 3.31Å; V283-M285 PolarHBondContact O-N 3Å; V283-G286 CarbonylContact O-C 3.54Å; V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 3.26Å; V283-L287 PolarHBondContact O-N 2.91Å |
| 284 | F | 96.8 | Very high | 94 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 176.9 | -176.1 | -96.2 | 0 | 0 | 0 | 112.1 | T168 L171 L172 L274 N275 I280 D281 G286 L287 C288 | T168-F284 HydrophobicContact CG2-CB 4.17Å; T168-F284 HydrophobicContact CG2-CD1 3.69Å; T168-F284 HydrophobicContact CG2-CD2 4.27Å; T168-F284 HydrophobicContact CG2-CE1 4.13Å; T168-F284 HydrophobicContact CG2-CG 3.76Å; L171-F284 HydrophobicContact CD2-CD1 4Å; L172-F284 HydrophobicContact CD2-CE1 3.91Å; L274-F284 HydrophobicContact CB-CE2 4.11Å; L274-F284 HydrophobicContact CB-CZ 4.16Å; N275-F284 WeakPolarHBondContact O-CE2 3.04Å; I280-F284 PolarHBondContact O-N 3.2Å; D281-F284 PolarHBondContact O-N 2.86Å; F284-G286 VanDerWaalsContact C-N 3.32Å; F284-G286 PolarHBondContact O-N 3.3Å; F284-L287 HydrophobicContact CD2-CD1 4.39Å; F284-L287 WeakPolarHBondContact O-CB 3.21Å; F284-L287 PolarHBondContact O-N 2.76Å; F284-C288 WeakPolarHBondContact CE1-SG 3.24Å; F284-C288 PolarHBondContact O-N 2.63Å; F284-C288 PolarHBondContact O-SG 2.82Å |
| 285 | M | 96.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.2 | -44.4 | 169.2 | 175.9 | 61.6 | -172.6 | 0 | 0 | 111.5 | L171 F175 W218 Y257 I259 V267 D281 D282 V283 L287 C288 A289 | L171-M285 HydrophobicContact CD2-CB 4.19Å; F175-M285 HydrophobicContact CE1-SD 4.39Å; F175-M285 HydrophobicContact CE2-SD 4Å; F175-M285 HydrophobicContact CZ-CE 3.96Å; F175-M285 HydrophobicContact CZ-SD 3.54Å; F175-M285 VanDerWaalsContact CZ-SD 3.54Å; W218-M285 HydrophobicContact CD2-CE 4.38Å; W218-M285 HydrophobicContact CH2-CG 4.15Å; W218-M285 HydrophobicContact CZ2-CE 4.22Å; W218-M285 HydrophobicContact CZ2-CG 3.8Å; Y257-M285 HydrophobicContact CE2-CE 4.36Å; I259-M285 HydrophobicContact CD1-CE 4.35Å; I259-M285 HydrophobicContact CG2-CE 4.08Å; V267-M285 HydrophobicContact CB-CE 4.5Å; V267-M285 HydrophobicContact CB-SD 4.4Å; V267-M285 HydrophobicContact CG1-CE 4.27Å; V267-M285 HydrophobicContact CG1-SD 3.58Å; V267-M285 VanDerWaalsContact CG1-SD 3.58Å; V267-M285 HydrophobicContact CG2-CE 3.66Å; V267-M285 HydrophobicContact CG2-SD 4Å; D281-M285 PolarHBondContact O-N 2.87Å; D282-M285 WeakPolarHBondContact O-CB 3.1Å; V283-M285 VanDerWaalsContact C-N 3.31Å; V283-M285 PolarHBondContact O-N 3Å; M285-L287 VanDerWaalsContact C-N 3.34Å; M285-L287 PolarHBondContact O-N 3.09Å; M285-C288 PolarHBondContact O-N 2.53Å; M285-A289 WeakPolarHBondContact O-CB 3.47Å; M285-A289 PolarHBondContact O-N 3.11Å |
| 286 | G | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -37.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D282 V283 F284 N290 | D282-G286 PolarHBondContact O-N 3.21Å; D282-G286 VanDerWaalsContact O-N 3.14Å; V283-G286 CarbonylContact O-C 3.54Å; V283-G286 WeakPolarHBondContact O-CA 3.49Å; V283-G286 PolarHBondContact O-N 3.26Å; F284-G286 VanDerWaalsContact C-N 3.32Å; F284-G286 PolarHBondContact O-N 3.3Å; G286-N290 VanDerWaalsContact O-CB 3.24Å; G286-N290 WeakPolarHBondContact O-CB 3.4Å; G286-N290 PolarHBondContact O-N 2.81Å |
| 287 | L | 95.4 | Very high | 95 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -45.8 | 173.6 | -67 | 171.6 | 0 | 0 | 0 | 111.5 | V57 L61 Y243 P249 L274 L278 V283 F284 M285 N290 K291 | V57-L287 HydrophobicContact CG1-CD2 3.41Å; V57-L287 VanDerWaalsContact CG1-CD2 3.41Å; L61-L287 HydrophobicContact CD1-CD1 3.64Å; L61-L287 HydrophobicContact CD1-CD2 3.99Å; L61-L287 HydrophobicContact CD1-CG 4.42Å; Y243-L287 HydrophobicContact CE2-CD2 4.02Å; P249-L287 HydrophobicContact CG-CD2 3.79Å; P249-L287 HydrophobicContact CG-CG 4.3Å; L274-L287 HydrophobicContact CD1-CB 4.4Å; L278-L287 HydrophobicContact CD2-CD1 3.69Å; V283-L287 PolarHBondContact O-N 2.91Å; F284-L287 HydrophobicContact CD2-CD1 4.39Å; F284-L287 WeakPolarHBondContact O-CB 3.21Å; F284-L287 PolarHBondContact O-N 2.76Å; M285-L287 VanDerWaalsContact C-N 3.34Å; M285-L287 PolarHBondContact O-N 3.09Å; L287-N290 PolarHBondContact O-N 3.31Å; L287-K291 PolarHBondContact O-N 3.24Å; L287-K291 VanDerWaalsContact O-N 3.08Å |
| 288 | C | 95.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 176.6 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | V267 A270 L274 F284 M285 N290 K291 I292 | V267-C288 HydrophobicContact CG1-CB 4.01Å; A270-C288 HydrophobicContact CB-CB 4.15Å; L274-C288 HydrophobicContact CD1-CB 4.46Å; F284-C288 WeakPolarHBondContact CE1-SG 3.24Å; F284-C288 PolarHBondContact O-N 2.63Å; F284-C288 PolarHBondContact O-SG 2.82Å; M285-C288 PolarHBondContact O-N 2.53Å; C288-N290 PolarHBondContact O-N 3.26Å; C288-K291 WeakPolarHBondContact O-CB 3.36Å; C288-K291 PolarHBondContact O-N 3.43Å; C288-K291 VanDerWaalsContact O-N 3.15Å; C288-I292 WeakPolarHBondContact O-CG1 3.4Å; C288-I292 PolarHBondContact O-N 2.99Å |
| 289 | A | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | W218 M285 K291 I292 G293 I294 | W218-A289 HydrophobicContact CE3-CB 3.79Å; W218-A289 HydrophobicContact CH2-CB 3.91Å; W218-A289 HydrophobicContact CZ3-CB 3.18Å; M285-A289 WeakPolarHBondContact O-CB 3.47Å; M285-A289 PolarHBondContact O-N 3.11Å; A289-K291 VanDerWaalsContact C-N 3.29Å; A289-K291 PolarHBondContact O-N 3Å; A289-I292 CarbonylContact O-C 3.14Å; A289-I292 WeakPolarHBondContact O-CG1 3.34Å; A289-I292 PolarHBondContact O-N 3.13Å; A289-G293 PolarHBondContact O-N 3.14Å; A289-I294 CarbonylContact C-O 3.59Å; A289-I294 HydrophobicContact CB-CB 4.25Å; A289-I294 PolarHBondContact O-N 3.16Å |
| 290 | N | 93.7 | Very high | 95.8 | Very high | 36 Ų | 36 | 27.8 Ų | 27.8 | 19% | 0.193 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.8 | -38.9 | 174.8 | 179.9 | 75.1 | 0 | 0 | 0 | 112.1 | Y54 N58 P249 G286 L287 C288 I292 G293 | Y54-N290 WeakPolarHBondContact CB-ND2 3.42Å; Y54-N290 WeakPolarHBondContact CB-OD1 3.41Å; Y54-N290 PolarHBondContact O-ND2 2.71Å; N58-N290 PolarHBondContact ND2-ND2 3.33Å; N58-N290 VanDerWaalsContact ND2-ND2 3.14Å; N58-N290 PolarHBondContact OD1-ND2 2.94Å; N58-N290 VanDerWaalsContact OD1-ND2 3.08Å; P249-N290 HydrophobicContact CB-CB 3.97Å; P249-N290 HydrophobicContact CG-CB 4.43Å; G286-N290 VanDerWaalsContact O-CB 3.24Å; G286-N290 WeakPolarHBondContact O-CB 3.4Å; G286-N290 PolarHBondContact O-N 2.81Å; L287-N290 PolarHBondContact O-N 3.31Å; C288-N290 PolarHBondContact O-N 3.26Å; N290-I292 VanDerWaalsContact C-N 3.29Å; N290-I292 PolarHBondContact O-N 3.31Å; N290-G293 PolarHBondContact O-N 2.72Å |
| 291 | K | 92.1 | Very high | 95.8 | Very high | 71 Ų | 71 | 27.9 Ų | 27.9 | 31% | 0.309 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.5 | -33.8 | 176.8 | -174.1 | 168.2 | -173 | 154.4 | 0 | 113.6 | N58 S62 T273 L274 L287 C288 A289 | N58-K291 HydrophobicContact CB-CG 4.41Å; N58-K291 WeakPolarHBondContact ND2-CA 3Å; S62-K291 PolarHBondContact OG-NZ 3.07Å; T273-K291 VanDerWaalsContact OG1-CE 3.3Å; T273-K291 WeakPolarHBondContact OG1-CE 3.41Å; T273-K291 PolarHBondContact OG1-NZ 3.33Å; L274-K291 HydrophobicContact CD1-CD 4.17Å; L274-K291 HydrophobicContact CD2-CD 3.98Å; L274-K291 HydrophobicContact CG-CD 4.02Å; L287-K291 PolarHBondContact O-N 3.24Å; L287-K291 VanDerWaalsContact O-N 3.08Å; C288-K291 WeakPolarHBondContact O-CB 3.36Å; C288-K291 PolarHBondContact O-N 3.43Å; C288-K291 VanDerWaalsContact O-N 3.15Å; A289-K291 VanDerWaalsContact C-N 3.29Å; A289-K291 PolarHBondContact O-N 3Å |
| 292 | I | 93.6 | Very high | 95.8 | Very high | 53 Ų | 53 | 27.3 Ų | 27.3 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 6.2 | -179.5 | 58.7 | 168.8 | 0 | 0 | 0 | 113 | K266 V267 A270 C288 A289 N290 I294 | K266-I292 HydrophobicContact CB-CD1 3.42Å; K266-I292 VanDerWaalsContact CB-CD1 3.42Å; K266-I292 HydrophobicContact CB-CG2 4.39Å; K266-I292 HydrophobicContact CD-CD1 4.47Å; V267-I292 HydrophobicContact CG2-CD1 3.87Å; A270-I292 HydrophobicContact CB-CG2 3.79Å; C288-I292 WeakPolarHBondContact O-CG1 3.4Å; C288-I292 PolarHBondContact O-N 2.99Å; A289-I292 CarbonylContact O-C 3.14Å; A289-I292 WeakPolarHBondContact O-CG1 3.34Å; A289-I292 PolarHBondContact O-N 3.13Å; N290-I292 VanDerWaalsContact C-N 3.29Å; N290-I292 PolarHBondContact O-N 3.31Å; I292-I294 VanDerWaalsContact C-N 3.32Å; I292-I294 HydrophobicContact CD1-CB 4.19Å; I292-I294 HydrophobicContact CD1-CG1 3.53Å; I292-I294 HydrophobicContact CG1-CB 4.17Å; I292-I294 HydrophobicContact CG1-CG1 3.7Å; I292-I294 PolarHBondContact O-N 3Å |
| 293 | G | 93.8 | Very high | 95.7 | Very high | 61 Ų | 61 | 26.4 Ų | 26.4 | 63% | 0.629 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 19.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | A289 N290 | A289-G293 PolarHBondContact O-N 3.14Å; N290-G293 PolarHBondContact O-N 2.72Å |
| 294 | I | 96.1 | Very high | 95.4 | Very high | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.067 | 15% | 0.148 | C | C | . | . | trans | -91.4 | 130.9 | 177 | -59.2 | -62.6 | 0 | 0 | 0 | 109.8 | D216 W218 V263 A289 I292 | D216-I294 HydrophobicContact CB-CD1 3.65Å; D216-I294 WeakPolarHBondContact OD1-CD1 3.44Å; W218-I294 HydrophobicContact CB-CG2 4.28Å; W218-I294 HydrophobicContact CE3-CG2 4.09Å; V263-I294 HydrophobicContact CG1-CG2 4.23Å; V263-I294 HydrophobicContact CG2-CD1 4.23Å; V263-I294 HydrophobicContact CG2-CG1 4.41Å; V263-I294 HydrophobicContact CG2-CG2 4.33Å; A289-I294 CarbonylContact C-O 3.59Å; A289-I294 HydrophobicContact CB-CB 4.25Å; A289-I294 PolarHBondContact O-N 3.16Å; I292-I294 VanDerWaalsContact C-N 3.32Å; I292-I294 HydrophobicContact CD1-CB 4.19Å; I292-I294 HydrophobicContact CD1-CG1 3.53Å; I292-I294 HydrophobicContact CG1-CB 4.17Å; I292-I294 HydrophobicContact CG1-CG1 3.7Å; I292-I294 PolarHBondContact O-N 3Å | ||
| 295 | V | 94.8 | Very high | 94.9 | Very high | 98 Ų | 98 | 31.8 Ų | 31.8 | 59% | 0.594 | 17% | 0.174 | S | C | * | . | trans | -114.6 | 129.8 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 296 | P | 97.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -70.6 | 138.6 | 179.8 | 28.3 | -32.8 | 0 | 0 | 0 | 111.6 | W218 V222 D250 T252 | W218-P296 HydrophobicContact CD2-CB 3.57Å; W218-P296 HydrophobicContact CE3-CB 3.49Å; W218-P296 VanDerWaalsContact CE3-CB 3.49Å; W218-P296 HydrophobicContact CE3-CG 4.01Å; W218-P296 HydrophobicContact CG-CB 4.15Å; W218-P296 HydrophobicContact CH2-CB 4.02Å; W218-P296 HydrophobicContact CH2-CG 4.05Å; W218-P296 HydrophobicContact CZ2-CB 4.09Å; W218-P296 HydrophobicContact CZ3-CB 3.71Å; W218-P296 VanDerWaalsContact CZ3-CD 3.48Å; W218-P296 HydrophobicContact CZ3-CG 3.75Å; V222-P296 HydrophobicContact CG1-CB 4.4Å; V222-P296 HydrophobicContact CG1-CG 3.89Å; V222-P296 HydrophobicContact CG2-CB 3.83Å; V222-P296 HydrophobicContact CG2-CG 4.24Å; D250-P296 HydrophobicContact CB-CG 3.93Å; T252-P296 HydrophobicContact CG2-CB 3.88Å |
| 297 | Q | 97.4 | Very high | 94.4 | Very high | 101 Ų | 101 | 36.7 Ų | 36.7 | 47% | 0.472 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.2 | 177.5 | -59.4 | 179.8 | 42 | 0 | 0 | 110.3 | W218 I219 G220 H299 | W218-Q297 WeakPolarHBondContact O-CB 3.4Å; W218-Q297 PolarHBondContact O-N 2.99Å; I219-Q297 WeakPolarHBondContact CA-O 3.39Å; I219-Q297 HydrophobicContact CG2-CB 3.94Å; G220-Q297 PolarHBondContact N-O 3.02Å; Q297-H299 PolarHBondContact O-N 2.78Å |
| 298 | Y | 96.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 18% | 0.184 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.8 | -179.7 | -173.8 | -77.6 | 0 | 0 | 0 | 111 | V222 V300 P371 R373 | V222-Y298 HydrophobicContact CB-CD2 3.95Å; V222-Y298 HydrophobicContact CG2-CD2 4.38Å; Y298-V300 HydrophobicContact CD1-CG1 4.15Å; Y298-V300 HydrophobicContact CE1-CB 4.3Å; Y298-V300 HydrophobicContact CE1-CG1 3.95Å; Y298-P371 HydrophobicContact CE1-CG 4.04Å; Y298-P371 VanDerWaalsContact OH-CD 3.28Å; Y298-P371 WeakPolarHBondContact OH-CD 3.32Å; Y298-P371 VanDerWaalsContact OH-CG 3.31Å; Y298-P371 WeakPolarHBondContact OH-CG 3.38Å; Y298-R373 VanDerWaalsContact CG-NH2 3.27Å |
| 299 | H | 97.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 13% | 0.125 | 21% | 0.206 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 125.4 | 171.4 | -166.1 | -76.5 | 0 | 0 | 0 | 110.8 | I219 G220 Q297 F301 F302 | I219-H299 HydrophobicContact CB-CB 4.32Å; I219-H299 HydrophobicContact CD1-CB 4.44Å; G220-H299 PolarHBondContact O-N 3Å; G220-H299 VanDerWaalsContact O-N 3.07Å; Q297-H299 PolarHBondContact O-N 2.78Å; H299-F301 VanDerWaalsContact C-N 3.25Å; H299-F301 AromaticContact CE1-CD2 3.96Å; H299-F301 PolarHBondContact ND1-N 3.24Å; H299-F301 PolarHBondContact O-N 2.7Å; H299-F302 HydrophobicContact CB-CD2 3.59Å; H299-F302 HydrophobicContact CB-CE2 4.13Å; H299-F302 HydrophobicContact CB-CG 4.33Å; H299-F302 AromaticContact CG-CD2 3.64Å; H299-F302 AromaticContact CG-CE2 3.95Å; H299-F302 AromaticContact ND1-CD2 3.5Å; H299-F302 WeakPolarHBondContact ND1-CD2 3.33Å; H299-F302 AromaticContact ND1-CE2 3.96Å; H299-F302 PolarHBondContact O-N 3.04Å |
| 300 | V | 96.1 | Very high | 94.3 | Very high | 15 Ų | 15 | 43.4 Ų | 43.4 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.4 | -169.8 | -57.1 | 0 | 0 | 0 | 0 | 115.3 | Y298 Y370 P371 R373 A374 I377 | Y298-V300 HydrophobicContact CD1-CG1 4.15Å; Y298-V300 HydrophobicContact CE1-CB 4.3Å; Y298-V300 HydrophobicContact CE1-CG1 3.95Å; V300-Y370 WeakPolarHBondContact O-CD1 3.09Å; V300-P371 HydrophobicContact CB-CG 4.37Å; V300-P371 WeakPolarHBondContact O-CD 3.23Å; V300-R373 HydrophobicContact CG1-CG 4.11Å; V300-A374 HydrophobicContact CB-CB 4.05Å; V300-A374 HydrophobicContact CG2-CB 4.15Å; V300-I377 HydrophobicContact CB-CD1 4.32Å; V300-I377 HydrophobicContact CG1-CD1 3.8Å; V300-I377 HydrophobicContact CG2-CD1 3.72Å |
| 301 | F | 97.4 | Very high | 94.5 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 6% | 0.057 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 14.6 | 179 | -59.1 | -66.5 | 0 | 0 | 0 | 113.5 | H299 K317 M319 T320 Y370 A374 I377 | H299-F301 VanDerWaalsContact C-N 3.25Å; H299-F301 AromaticContact CE1-CD2 3.96Å; H299-F301 PolarHBondContact ND1-N 3.24Å; H299-F301 PolarHBondContact O-N 2.7Å; F301-K317 WeakPolarHBondContact CB-O 3.46Å; F301-K317 HydrophobicContact CD1-CB 3.97Å; F301-K317 HydrophobicContact CD2-CB 4.01Å; F301-K317 VanDerWaalsContact CD2-O 3.31Å; F301-K317 WeakPolarHBondContact CD2-O 3.4Å; F301-K317 HydrophobicContact CE1-CB 3.58Å; F301-K317 HydrophobicContact CE2-CB 3.64Å; F301-K317 HydrophobicContact CE2-CG 4.33Å; F301-K317 HydrophobicContact CG-CB 4.18Å; F301-K317 WeakPolarHBondContact CG-O 3.42Å; F301-K317 HydrophobicContact CZ-CB 3.42Å; F301-K317 VanDerWaalsContact CZ-CB 3.42Å; F301-K317 HydrophobicContact CZ-CG 4.05Å; F301-M319 HydrophobicContact CB-CB 4.3Å; F301-M319 HydrophobicContact CB-CG 3.94Å; F301-M319 WeakPolarHBondContact O-CA 3.37Å; F301-M319 VanDerWaalsContact O-CB 3.26Å; F301-M319 WeakPolarHBondContact O-CB 3.27Å; F301-M319 PolarHBondContact O-N 2.84Å; F301-M319 VanDerWaalsContact O-N 3.08Å; F301-T320 PolarHBondContact O-N 3.42Å; F301-T320 VanDerWaalsContact O-N 3.08Å; F301-Y370 HydrophobicContact CB-CE1 4.41Å; F301-Y370 HydrophobicContact CD1-CD2 4.2Å; F301-Y370 HydrophobicContact CD1-CE2 4.12Å; F301-Y370 WeakPolarHBondContact O-CE1 3.42Å; F301-Y370 PolarHBondContact O-OH 3.28Å; F301-A374 HydrophobicContact CD1-CB 4.33Å; F301-A374 HydrophobicContact CE1-CB 3.79Å; F301-A374 HydrophobicContact CZ-CB 4.22Å; F301-I377 HydrophobicContact CE2-CB 4.43Å; F301-I377 HydrophobicContact CE2-CG2 4.03Å; F301-I377 HydrophobicContact CZ-CB 4.44Å; F301-I377 HydrophobicContact CZ-CG2 4.48Å |
| 302 | F | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -93.1 | 119.5 | 162.5 | -82.7 | -114.6 | 0 | 0 | 0 | 108.3 | I219 V258 H299 M319 T320 | I219-F302 HydrophobicContact CD1-CE2 3.67Å; I219-F302 HydrophobicContact CD1-CZ 3.79Å; I219-F302 HydrophobicContact CG1-CZ 4.34Å; V258-F302 HydrophobicContact CG2-CE1 4.3Å; V258-F302 HydrophobicContact CG2-CZ 3.97Å; H299-F302 HydrophobicContact CB-CD2 3.59Å; H299-F302 HydrophobicContact CB-CE2 4.13Å; H299-F302 HydrophobicContact CB-CG 4.33Å; H299-F302 AromaticContact CG-CD2 3.64Å; H299-F302 AromaticContact CG-CE2 3.95Å; H299-F302 AromaticContact ND1-CD2 3.5Å; H299-F302 WeakPolarHBondContact ND1-CD2 3.33Å; H299-F302 AromaticContact ND1-CE2 3.96Å; H299-F302 PolarHBondContact O-N 3.04Å; F302-M319 HydrophobicContact CD2-CB 3.79Å; F302-M319 HydrophobicContact CD2-CG 4.18Å; F302-M319 HydrophobicContact CE2-CB 3.65Å; F302-M319 HydrophobicContact CE2-CG 3.91Å; F302-M319 HydrophobicContact CZ-CB 4.37Å; F302-T320 VanDerWaalsContact CA-OG1 3.31Å; F302-T320 WeakPolarHBondContact CA-OG1 3.35Å; F302-T320 HydrophobicContact CD1-CG2 3.85Å; F302-T320 HydrophobicContact CE1-CG2 3.91Å; F302-T320 HydrophobicContact CG-CG2 4.36Å; F302-T320 HydrophobicContact CZ-CG2 4.46Å |
| 303 | S | 94.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | -70.4 | 150.9 | 179.8 | 63.8 | 0 | 0 | 0 | 0 | 111.3 | R221 T320 S321 H322 | R221-S303 WeakPolarHBondContact CB-O 3.44Å; S303-T320 WeakPolarHBondContact CB-O 3.42Å; S303-T320 PolarHBondContact N-OG1 3.21Å; S303-T320 PolarHBondContact OG-O 3.04Å; S303-S321 VanDerWaalsContact OG-CA 3.28Å; S303-S321 WeakPolarHBondContact OG-CA 3.46Å; S303-H322 PolarHBondContact OG-N 3.49Å | ||
| 304 | G | 89.2 | Confident | 95 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -81.8 | -138.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G306 H322 D368 | G304-G306 PolarHBondContact O-N 2.89Å; G304-H322 VanDerWaalsContact O-CB 3.32Å; G304-H322 WeakPolarHBondContact O-CB 3.32Å; G304-D368 CarbonylContact C-O 3.56Å; G304-D368 VanDerWaalsContact CA-O 3.22Å; G304-D368 WeakPolarHBondContact CA-O 3.04Å; G304-D368 PolarHBondContact N-O 3.48Å | ||
| 305 | E | 87.6 | Confident | 95 | Very high | 116 Ų | 116 | 37 Ų | 37 | 54% | 0.542 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -71.6 | -10.8 | -175.5 | -59.9 | -175.7 | 155.8 | 0 | 0 | 114.9 | H322 D368 | E305-H322 PolarHBondContact O-ND1 2.94Å; E305-D368 HydrophobicContact CB-CB 4.41Å; E305-D368 PolarHBondContact N-O 3.28Å; E305-D368 PolarHBondContact N-OD2 2.87Å; E305-D368 VanDerWaalsContact N-OD2 3.13Å |
| 306 | G | 88.9 | Confident | 95.1 | Very high | 13 Ų | 13 | 33.6 Ų | 33.6 | 13% | 0.134 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -101.1 | 156.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G304 D368 T369 | G304-G306 PolarHBondContact O-N 2.89Å; G306-D368 PolarHBondContact N-O 2.99Å; G306-T369 VanDerWaalsContact C-CG2 3.43Å; G306-T369 WeakPolarHBondContact O-CG2 3.48Å |
| 307 | K | 93 | Very high | 95 | Very high | 91 Ų | 91 | 37.2 Ų | 37.2 | 40% | 0.396 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -67.1 | 131.5 | 167.8 | -80.1 | -176.1 | 178.6 | -139.7 | 0 | 111.8 | Y310 H322 G323 D327 T369 | K307-Y310 PolarHBondContact NZ-OH 2.97Å; K307-H322 WeakPolarHBondContact CA-O 3.1Å; K307-H322 WeakPolarHBondContact CG-O 3.39Å; K307-G323 VanDerWaalsContact CE-C 3.48Å; K307-G323 WeakPolarHBondContact CE-O 3.25Å; K307-G323 PolarHBondContact NZ-O 2.79Å; K307-D327 IonicContact NZ-OD1 2.75Å; K307-D327 PolarHBondContact NZ-OD1 3.44Å; K307-D327 VanDerWaalsContact NZ-OD1 3.11Å; K307-D327 IonicContact NZ-OD2 3.95Å; K307-T369 WeakPolarHBondContact O-CG2 3.47Å |
| 308 | T | 93.6 | Very high | 95 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 149.5 | 171.8 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | Y310 S321 Y370 | T308-Y310 PolarHBondContact O-N 2.91Å; T308-S321 WeakPolarHBondContact CB-OG 3.31Å; T308-S321 WeakPolarHBondContact CG2-OG 3.36Å; T308-S321 PolarHBondContact N-OG 2.6Å; T308-S321 WeakPolarHBondContact OG1-CB 3.45Å; T308-S321 PolarHBondContact OG1-OG 3.24Å; T308-Y370 HydrophobicContact CG2-CD1 4.19Å; T308-Y370 HydrophobicContact CG2-CD2 4.09Å; T308-Y370 HydrophobicContact CG2-CE1 3.61Å; T308-Y370 HydrophobicContact CG2-CE2 3.51Å; T308-Y370 HydrophobicContact CG2-CG 4.41Å |
| 309 | P | 94.4 | Very high | 95 | Very high | 28 Ų | 28 | 30.9 Ų | 30.9 | 18% | 0.182 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 134.4 | 178.8 | -23 | 34.3 | 0 | 0 | 0 | 112.6 | H311 I314 L360 L361 | P309-H311 PolarHBondContact O-N 3.42Å; P309-I314 HydrophobicContact CB-CG1 4.4Å; P309-L360 HydrophobicContact CB-CB 4.19Å; P309-L360 HydrophobicContact CB-CD1 4.22Å; P309-L360 HydrophobicContact CB-CD2 4.18Å; P309-L360 HydrophobicContact CB-CG 4.43Å; P309-L360 HydrophobicContact CG-CB 4.13Å; P309-L361 HydrophobicContact CG-CD2 4.03Å |
| 310 | Y | 95.7 | Very high | 95.1 | Very high | 116 Ų | 116 | 29.7 Ų | 29.7 | 46% | 0.455 | 14% | 0.143 | S | C | . | . | trans | -73.7 | 92.7 | 177.2 | -61.4 | -62.5 | 0 | 0 | 0 | 111.6 | K307 T308 Y315 H324 D327 L331 | K307-Y310 PolarHBondContact NZ-OH 2.97Å; T308-Y310 PolarHBondContact O-N 2.91Å; Y310-Y315 WeakPolarHBondContact CA-OH 3.41Å; Y310-Y315 VanDerWaalsContact CB-OH 3.24Å; Y310-Y315 WeakPolarHBondContact CB-OH 3.48Å; Y310-Y315 HydrophobicContact CD1-CE1 4.44Å; Y310-Y315 WeakPolarHBondContact CD1-OH 3.28Å; Y310-H324 AromaticContact CE1-CE1 3.92Å; Y310-D327 PolarHBondContact OH-OD2 3.11Å; Y310-L331 HydrophobicContact CD1-CD1 3.97Å; Y310-L331 HydrophobicContact CE1-CD1 4.06Å; Y310-L331 HydrophobicContact CE1-CD2 4.28Å | ||
| 311 | H | 97 | Very high | 95.1 | Very high | 34 Ų | 34 | 29 Ų | 29 | 16% | 0.157 | 14% | 0.139 | C | C | . | . | trans | -155.4 | 138.7 | 177.3 | -167.1 | -86.3 | 0 | 0 | 0 | 111.2 | P309 C313 I314 Y315 Y352 L360 | P309-H311 PolarHBondContact O-N 3.42Å; H311-C313 VanDerWaalsContact C-N 3.31Å; H311-C313 VanDerWaalsContact CE1-SG 3.6Å; H311-C313 WeakPolarHBondContact ND1-CB 3.47Å; H311-C313 PolarHBondContact ND1-N 3.44Å; H311-C313 VanDerWaalsContact ND1-N 3.17Å; H311-C313 PolarHBondContact O-N 2.97Å; H311-I314 HydrophobicContact CB-CG1 4.02Å; H311-I314 WeakPolarHBondContact O-CA 3.29Å; H311-I314 VanDerWaalsContact O-CB 3.31Å; H311-I314 WeakPolarHBondContact O-CB 3.31Å; H311-I314 PolarHBondContact O-N 3.4Å; H311-Y315 WeakPolarHBondContact O-CD1 2.96Å; H311-Y315 PolarHBondContact O-N 2.95Å; H311-Y315 VanDerWaalsContact O-N 3.08Å; H311-Y352 PolarHBondContact CE1-OH 3.01Å; H311-Y352 PolarHBondContact NE2-OH 3.44Å; H311-L360 HydrophobicContact CB-CD1 3.64Å | ||
| 312 | P | 96.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 30 Ų | 30 | 32% | 0.318 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -55.8 | -38.4 | -179.4 | -29.3 | 36.7 | 0 | 0 | 0 | 114.9 | I314 Y315 E316 V340 I343 | P312-I314 PolarHBondContact O-N 2.9Å; P312-Y315 PolarHBondContact O-N 3.22Å; P312-Y315 VanDerWaalsContact O-N 3.16Å; P312-E316 PolarHBondContact O-N 3.42Å; P312-V340 HydrophobicContact CB-CG2 4.33Å; P312-I343 HydrophobicContact CB-CD1 3.57Å; P312-I343 HydrophobicContact CG-CD1 4.33Å |
| 313 | C | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -16.9 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 114.7 | H311 Y352 C353 M356 | H311-C313 VanDerWaalsContact C-N 3.31Å; H311-C313 VanDerWaalsContact CE1-SG 3.6Å; H311-C313 WeakPolarHBondContact ND1-CB 3.47Å; H311-C313 PolarHBondContact ND1-N 3.44Å; H311-C313 VanDerWaalsContact ND1-N 3.17Å; H311-C313 PolarHBondContact O-N 2.97Å; C313-Y352 WeakPolarHBondContact SG-CE1 3.29Å; C313-C353 HydrophobicContact CB-CB 3.53Å; C313-C353 WeakPolarHBondContact CB-SG 3.16Å; C313-C353 WeakPolarHBondContact SG-CA 3.16Å; C313-C353 WeakPolarHBondContact SG-CB 3.46Å; C313-C353 CovalentContact SG-SG 2.05Å; C313-C353 PolarHBondContact SG-SG 2.93Å; C313-M356 HydrophobicContact CB-CB 4.46Å |
| 314 | I | 97.1 | Very high | 95 | Very high | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.015 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -85.2 | -46 | 171 | -60.2 | -70.2 | 0 | 0 | 0 | 108.9 | P309 H311 P312 E316 K317 M318 K357 L360 L361 Y370 | P309-I314 HydrophobicContact CB-CG1 4.4Å; H311-I314 HydrophobicContact CB-CG1 4.02Å; H311-I314 WeakPolarHBondContact O-CA 3.29Å; H311-I314 VanDerWaalsContact O-CB 3.31Å; H311-I314 WeakPolarHBondContact O-CB 3.31Å; H311-I314 PolarHBondContact O-N 3.4Å; P312-I314 PolarHBondContact O-N 2.9Å; I314-E316 PolarHBondContact O-N 3.15Å; I314-K317 PolarHBondContact O-N 2.95Å; I314-M318 WeakPolarHBondContact O-CB 3.38Å; I314-M318 PolarHBondContact O-N 3.47Å; I314-K357 HydrophobicContact CD1-CG 3.94Å; I314-L360 HydrophobicContact CD1-CB 4.49Å; I314-L360 HydrophobicContact CD1-CD1 4.27Å; I314-L360 HydrophobicContact CG1-CD1 3.93Å; I314-L361 HydrophobicContact CD1-CD1 3.99Å; I314-L361 HydrophobicContact CD1-CD2 4Å; I314-L361 HydrophobicContact CD1-CG 3.99Å; I314-Y370 HydrophobicContact CG2-CD2 4.24Å; I314-Y370 HydrophobicContact CG2-CE2 3.76Å |
| 315 | Y | 97.3 | Very high | 95.1 | Very high | 12 Ų | 12 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -37.2 | -179.8 | -53.4 | -21.1 | 0 | 0 | 0 | 112.6 | H198 N201 Y310 H311 P312 K317 M318 L331 N334 A335 V340 | H198-Y315 PolarHBondContact CD2-O 3.35Å; H198-Y315 PolarHBondContact NE2-O 3.4Å; N201-Y315 PolarHBondContact ND2-O 3.16Å; Y310-Y315 WeakPolarHBondContact CA-OH 3.41Å; Y310-Y315 VanDerWaalsContact CB-OH 3.24Å; Y310-Y315 WeakPolarHBondContact CB-OH 3.48Å; Y310-Y315 HydrophobicContact CD1-CE1 4.44Å; Y310-Y315 WeakPolarHBondContact CD1-OH 3.28Å; H311-Y315 WeakPolarHBondContact O-CD1 2.96Å; H311-Y315 PolarHBondContact O-N 2.95Å; H311-Y315 VanDerWaalsContact O-N 3.08Å; P312-Y315 PolarHBondContact O-N 3.22Å; P312-Y315 VanDerWaalsContact O-N 3.16Å; Y315-K317 PolarHBondContact O-N 3.41Å; Y315-M318 HydrophobicContact CD1-CE 3.57Å; Y315-M318 HydrophobicContact CD1-SD 4.39Å; Y315-M318 HydrophobicContact CE1-CE 4.26Å; Y315-M318 HydrophobicContact CG-CE 4.21Å; Y315-M318 PolarHBondContact O-N 2.84Å; Y315-L331 HydrophobicContact CD1-CD1 4.38Å; Y315-L331 HydrophobicContact CE1-CD1 3.67Å; Y315-N334 HydrophobicContact CE2-CB 4.05Å; Y315-A335 HydrophobicContact CD1-CB 4.44Å; Y315-A335 HydrophobicContact CD2-CB 4.13Å; Y315-A335 HydrophobicContact CG-CB 3.99Å; Y315-V340 HydrophobicContact CD2-CG2 4.29Å |
| 316 | E | 95.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 38.8 Ų | 38.8 | 13% | 0.126 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -33.1 | 178.9 | -167.4 | -156.9 | 161.7 | 0 | 0 | 113.8 | N201 P312 I314 V340 S344 | N201-E316 PolarHBondContact ND2-O 3.29Å; P312-E316 PolarHBondContact O-N 3.42Å; I314-E316 PolarHBondContact O-N 3.15Å; E316-V340 HydrophobicContact CB-CG1 4.12Å; E316-S344 VanDerWaalsContact OE1-CB 3.24Å; E316-S344 WeakPolarHBondContact OE1-CB 3.3Å; E316-S344 PolarHBondContact OE1-OG 3.12Å; E316-S344 VanDerWaalsContact OE2-CB 3.25Å; E316-S344 WeakPolarHBondContact OE2-CB 3.29Å; E316-S344 PolarHBondContact OE2-OG 2.98Å |
| 317 | K | 95.3 | Very high | 95.7 | Very high | 85 Ų | 85 | 39.6 Ų | 39.6 | 37% | 0.37 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -6.4 | -178.5 | -59.9 | -61.8 | -179 | -171.4 | 0 | 114 | F301 I314 Y315 | F301-K317 WeakPolarHBondContact CB-O 3.46Å; F301-K317 HydrophobicContact CD1-CB 3.97Å; F301-K317 HydrophobicContact CD2-CB 4.01Å; F301-K317 VanDerWaalsContact CD2-O 3.31Å; F301-K317 WeakPolarHBondContact CD2-O 3.4Å; F301-K317 HydrophobicContact CE1-CB 3.58Å; F301-K317 HydrophobicContact CE2-CB 3.64Å; F301-K317 HydrophobicContact CE2-CG 4.33Å; F301-K317 HydrophobicContact CG-CB 4.18Å; F301-K317 WeakPolarHBondContact CG-O 3.42Å; F301-K317 HydrophobicContact CZ-CB 3.42Å; F301-K317 VanDerWaalsContact CZ-CB 3.42Å; F301-K317 HydrophobicContact CZ-CG 4.05Å; I314-K317 PolarHBondContact O-N 2.95Å; Y315-K317 PolarHBondContact O-N 3.41Å |
| 318 | M | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -56 | 136.6 | -179.2 | 165.6 | 159.1 | 77.6 | 0 | 0 | 111.1 | F196 H198 N201 I314 Y315 L331 A335 Y370 | F196-M318 HydrophobicContact CD1-CE 3.67Å; F196-M318 HydrophobicContact CD1-SD 4.12Å; F196-M318 HydrophobicContact CE1-CE 3.42Å; F196-M318 VanDerWaalsContact CE1-CE 3.42Å; F196-M318 HydrophobicContact CE1-SD 4.41Å; F196-M318 HydrophobicContact CZ-CE 4.34Å; H198-M318 HydrophobicContact CB-CG 4.18Å; H198-M318 WeakPolarHBondContact CB-O 3.46Å; N201-M318 PolarHBondContact ND2-O 2.81Å; I314-M318 WeakPolarHBondContact O-CB 3.38Å; I314-M318 PolarHBondContact O-N 3.47Å; Y315-M318 HydrophobicContact CD1-CE 3.57Å; Y315-M318 HydrophobicContact CD1-SD 4.39Å; Y315-M318 HydrophobicContact CE1-CE 4.26Å; Y315-M318 HydrophobicContact CG-CE 4.21Å; Y315-M318 PolarHBondContact O-N 2.84Å; M318-L331 HydrophobicContact CE-CD1 4.38Å; M318-A335 HydrophobicContact CE-CB 3.9Å; M318-Y370 WeakPolarHBondContact CA-OH 3.24Å; M318-Y370 WeakPolarHBondContact CB-OH 3.44Å; M318-Y370 WeakPolarHBondContact CG-OH 3.43Å | ||
| 319 | M | 97.9 | Very high | 96 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | trans | -106.4 | -51 | 165.9 | -62.2 | -68.5 | -174.4 | 0 | 0 | 110 | H198 N201 L202 Y205 F301 F302 | H198-M319 PolarHBondContact N-O 3.38Å; N201-M319 HydrophobicContact CB-CE 4.37Å; N201-M319 HydrophobicContact CB-SD 3.89Å; L202-M319 HydrophobicContact CB-SD 4.44Å; Y205-M319 HydrophobicContact CD1-CE 4.45Å; Y205-M319 HydrophobicContact CD2-CE 4.46Å; Y205-M319 HydrophobicContact CG-CE 3.99Å; F301-M319 HydrophobicContact CB-CB 4.3Å; F301-M319 HydrophobicContact CB-CG 3.94Å; F301-M319 WeakPolarHBondContact O-CA 3.37Å; F301-M319 VanDerWaalsContact O-CB 3.26Å; F301-M319 WeakPolarHBondContact O-CB 3.27Å; F301-M319 PolarHBondContact O-N 2.84Å; F301-M319 VanDerWaalsContact O-N 3.08Å; F302-M319 HydrophobicContact CD2-CB 3.79Å; F302-M319 HydrophobicContact CD2-CG 4.18Å; F302-M319 HydrophobicContact CE2-CB 3.65Å; F302-M319 HydrophobicContact CE2-CG 3.91Å; F302-M319 HydrophobicContact CZ-CB 4.37Å | ||
| 320 | T | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 151.9 | -179.7 | 70.2 | 0 | 0 | 0 | 0 | 113.1 | M189 F196 A256 F301 F302 S303 Y370 | M189-T320 HydrophobicContact CE-CG2 4.11Å; F196-T320 CarbonylContact O-C 3.52Å; F196-T320 WeakPolarHBondContact O-CA 3.4Å; A256-T320 HydrophobicContact CB-CG2 3.96Å; F301-T320 PolarHBondContact O-N 3.42Å; F301-T320 VanDerWaalsContact O-N 3.08Å; F302-T320 VanDerWaalsContact CA-OG1 3.31Å; F302-T320 WeakPolarHBondContact CA-OG1 3.35Å; F302-T320 HydrophobicContact CD1-CG2 3.85Å; F302-T320 HydrophobicContact CE1-CG2 3.91Å; F302-T320 HydrophobicContact CG-CG2 4.36Å; F302-T320 HydrophobicContact CZ-CG2 4.46Å; S303-T320 WeakPolarHBondContact CB-O 3.42Å; S303-T320 PolarHBondContact N-OG1 3.21Å; S303-T320 PolarHBondContact OG-O 3.04Å; T320-Y370 WeakPolarHBondContact O-CE1 3.42Å; T320-Y370 PolarHBondContact O-OH 3.33Å |
| 321 | S | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 138.4 | 172.8 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | I195 F196 S303 T308 H324 | I195-S321 CarbonylContact C-O 3.59Å; I195-S321 WeakPolarHBondContact CA-O 3.29Å; I195-S321 WeakPolarHBondContact CG2-O 3.24Å; F196-S321 PolarHBondContact N-O 2.73Å; F196-S321 PolarHBondContact O-N 2.7Å; S303-S321 VanDerWaalsContact OG-CA 3.28Å; S303-S321 WeakPolarHBondContact OG-CA 3.46Å; T308-S321 WeakPolarHBondContact CB-OG 3.31Å; T308-S321 WeakPolarHBondContact CG2-OG 3.36Å; T308-S321 PolarHBondContact N-OG 2.6Å; T308-S321 WeakPolarHBondContact OG1-CB 3.45Å; T308-S321 PolarHBondContact OG1-OG 3.24Å; S321-H324 WeakPolarHBondContact CB-NE2 3.19Å; S321-H324 PolarHBondContact O-CD2 2.86Å; S321-H324 PolarHBondContact OG-NE2 3.44Å |
| 322 | H | 96.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 38.7 Ų | 38.7 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 149.5 | -173.6 | -168 | -66 | 0 | 0 | 0 | 113 | D194 I195 S303 G304 E305 K307 | D194-H322 IonicContact OD1-CE1 2.73Å; D194-H322 IonicContact OD2-CE1 3.27Å; D194-H322 PolarHBondContact OD2-CE1 3.48Å; D194-H322 VanDerWaalsContact OD2-CE1 3.24Å; D194-H322 IonicContact OD2-ND1 3.5Å; I195-H322 HydrophobicContact CD1-CB 3.87Å; I195-H322 WeakPolarHBondContact CD1-CD2 3.48Å; S303-H322 PolarHBondContact OG-N 3.49Å; G304-H322 VanDerWaalsContact O-CB 3.32Å; G304-H322 WeakPolarHBondContact O-CB 3.32Å; E305-H322 PolarHBondContact O-ND1 2.94Å; K307-H322 WeakPolarHBondContact CA-O 3.1Å; K307-H322 WeakPolarHBondContact CG-O 3.39Å |
| 323 | G | 94.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | trans | 91.6 | 23.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | D194 K307 L325 | D194-G323 CarbonylContact O-C 3.57Å; D194-G323 WeakPolarHBondContact O-CA 3.35Å; D194-G323 PolarHBondContact O-N 3.4Å; K307-G323 VanDerWaalsContact CE-C 3.48Å; K307-G323 WeakPolarHBondContact CE-O 3.25Å; K307-G323 PolarHBondContact NZ-O 2.79Å; G323-L325 PolarHBondContact O-N 2.72Å | ||
| 324 | H | 95.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.019 | 23% | 0.232 | C | C | . | . | trans | -89.3 | 74.4 | -175.6 | -62.4 | -73.3 | 0 | 0 | 0 | 113.1 | D194 F196 Y310 S321 D327 L328 L331 | D194-H324 PolarHBondContact O-N 3.27Å; F196-H324 VanDerWaalsContact CB-CD2 3.46Å; F196-H324 WeakPolarHBondContact CB-CD2 3.25Å; Y310-H324 AromaticContact CE1-CE1 3.92Å; S321-H324 WeakPolarHBondContact CB-NE2 3.19Å; S321-H324 PolarHBondContact O-CD2 2.86Å; S321-H324 PolarHBondContact OG-NE2 3.44Å; H324-D327 WeakPolarHBondContact CA-OD1 3.38Å; H324-D327 IonicContact CE1-OD2 3.03Å; H324-D327 PolarHBondContact CE1-OD2 2.95Å; H324-D327 IonicContact CG-OD1 3.48Å; H324-D327 IonicContact CG-OD2 3.39Å; H324-D327 IonicContact ND1-OD1 3.24Å; H324-D327 PolarHBondContact ND1-OD1 3.18Å; H324-D327 IonicContact ND1-OD2 3.88Å; H324-D327 PolarHBondContact ND1-OD2 3.36Å; H324-L328 HydrophobicContact CB-CB 4.42Å; H324-L328 HydrophobicContact CB-CD1 3.85Å; H324-L331 WeakPolarHBondContact CE1-CD2 3.27Å | ||
| 325 | L | 92.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 47.5 Ų | 47.5 | 47% | 0.466 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -81 | -35 | -179.7 | -59.9 | -173.8 | 0 | 0 | 0 | 114.2 | D194 G323 | D194-L325 HydrophobicContact CB-CD2 3.4Å; D194-L325 HydrophobicContact CB-CG 4.43Å; G323-L325 PolarHBondContact O-N 2.72Å |
| 326 | Q | 92.8 | Very high | 96.4 | Very high | 191 Ų | 191 | 48.8 Ų | 48.8 | 89% | 0.893 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -122.8 | -26.9 | -170.9 | -66.5 | 176.3 | -4.1 | 0 | 0 | 112.3 | ||
| 327 | D | 96 | Very high | 96.4 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 16% | 0.155 | 25% | 0.251 | C | S | . | . | trans | -98.8 | 7.3 | -171.2 | 63 | -56.9 | 0 | 0 | 0 | 113.6 | K307 Y310 H324 Q329 D330 L331 | K307-D327 IonicContact NZ-OD1 2.75Å; K307-D327 PolarHBondContact NZ-OD1 3.44Å; K307-D327 VanDerWaalsContact NZ-OD1 3.11Å; K307-D327 IonicContact NZ-OD2 3.95Å; Y310-D327 PolarHBondContact OH-OD2 3.11Å; H324-D327 WeakPolarHBondContact CA-OD1 3.38Å; H324-D327 IonicContact CE1-OD2 3.03Å; H324-D327 PolarHBondContact CE1-OD2 2.95Å; H324-D327 IonicContact CG-OD1 3.48Å; H324-D327 IonicContact CG-OD2 3.39Å; H324-D327 IonicContact ND1-OD1 3.24Å; H324-D327 PolarHBondContact ND1-OD1 3.18Å; H324-D327 IonicContact ND1-OD2 3.88Å; H324-D327 PolarHBondContact ND1-OD2 3.36Å; D327-Q329 VanDerWaalsContact C-N 3.34Å; D327-Q329 PolarHBondContact O-N 3.17Å; D327-D330 PolarHBondContact O-N 2.9Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.26Å | ||
| 328 | L | 96.9 | Very high | 96.3 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -42.4 | -171.8 | -169.8 | 73 | 0 | 0 | 0 | 112.9 | A105 I106 F196 H324 W332 | A105-L328 HydrophobicContact CB-CD2 3.92Å; I106-L328 HydrophobicContact CG1-CD2 3.85Å; F196-L328 HydrophobicContact CB-CD1 4.03Å; F196-L328 HydrophobicContact CD2-CD1 3.76Å; F196-L328 HydrophobicContact CG-CD1 4.41Å; H324-L328 HydrophobicContact CB-CB 4.42Å; H324-L328 HydrophobicContact CB-CD1 3.85Å; L328-W332 VanDerWaalsContact O-CB 3.3Å; L328-W332 WeakPolarHBondContact O-CB 3.39Å; L328-W332 PolarHBondContact O-N 3.38Å |
| 329 | Q | 96.8 | Very high | 96.2 | Very high | 104 Ų | 104 | 58.7 Ų | 58.7 | 49% | 0.486 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | -179.7 | -67.4 | -178.4 | 52.4 | 0 | 0 | 112.3 | T109 D327 W332 K333 | T109-Q329 HydrophobicContact CG2-CB 4.35Å; T109-Q329 HydrophobicContact CG2-CG 3.82Å; D327-Q329 VanDerWaalsContact C-N 3.34Å; D327-Q329 PolarHBondContact O-N 3.17Å; Q329-W332 PolarHBondContact O-N 3.43Å; Q329-K333 PolarHBondContact O-N 3.27Å |
| 330 | D | 97.3 | Very high | 96 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.8 | -43 | 177 | -69.9 | -31.2 | 0 | 0 | 0 | 111.2 | D327 K333 N334 | D327-D330 PolarHBondContact O-N 2.9Å; D330-K333 PolarHBondContact O-N 3.17Å; D330-N334 WeakPolarHBondContact O-CB 3.29Å; D330-N334 VanDerWaalsContact O-CG 3.23Å; D330-N334 PolarHBondContact O-N 3.23Å; D330-N334 PolarHBondContact O-ND2 3.14Å |
| 331 | L | 97.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 174.1 | 179.1 | 57.6 | 0 | 0 | 0 | 111 | F196 Y310 Y315 M318 H324 D327 K333 N334 A335 | F196-L331 HydrophobicContact CB-CD2 3.7Å; F196-L331 HydrophobicContact CD1-CD2 3.99Å; F196-L331 HydrophobicContact CD1-CG 4.41Å; F196-L331 HydrophobicContact CD2-CB 4.25Å; F196-L331 HydrophobicContact CD2-CD2 3.56Å; F196-L331 HydrophobicContact CD2-CG 3.72Å; F196-L331 HydrophobicContact CE2-CB 4.38Å; F196-L331 HydrophobicContact CE2-CD2 4.2Å; F196-L331 HydrophobicContact CE2-CG 3.85Å; F196-L331 HydrophobicContact CG-CD2 3.44Å; F196-L331 VanDerWaalsContact CG-CD2 3.44Å; F196-L331 HydrophobicContact CG-CG 4.02Å; F196-L331 HydrophobicContact CZ-CG 4.27Å; Y310-L331 HydrophobicContact CD1-CD1 3.97Å; Y310-L331 HydrophobicContact CE1-CD1 4.06Å; Y310-L331 HydrophobicContact CE1-CD2 4.28Å; Y315-L331 HydrophobicContact CD1-CD1 4.38Å; Y315-L331 HydrophobicContact CE1-CD1 3.67Å; M318-L331 HydrophobicContact CE-CD1 4.38Å; H324-L331 WeakPolarHBondContact CE1-CD2 3.27Å; D327-L331 WeakPolarHBondContact O-CB 3.41Å; D327-L331 PolarHBondContact O-N 3.26Å; L331-K333 PolarHBondContact O-N 3.08Å; L331-N334 PolarHBondContact O-N 2.96Å; L331-A335 HydrophobicContact CD1-CB 4.31Å; L331-A335 WeakPolarHBondContact O-CB 3.35Å; L331-A335 PolarHBondContact O-N 2.93Å |
| 332 | W | 98 | Very high | 95.3 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 11% | 0.114 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.3 | -53.9 | 175.8 | 178 | -107.4 | 0 | 0 | 0 | 111.2 | T109 W110 Y115 F196 M199 L328 Q329 N334 A335 T336 | T109-W332 HydrophobicContact CG2-CB 3.69Å; T109-W332 HydrophobicContact CG2-CG 3.77Å; W110-W332 HydrophobicContact CB-CE3 3.97Å; W110-W332 HydrophobicContact CB-CH2 4.35Å; W110-W332 HydrophobicContact CB-CZ3 3.63Å; Y115-W332 HydrophobicContact CD1-CH2 4.07Å; Y115-W332 AromaticContact CD1-CZ2 3.85Å; Y115-W332 HydrophobicContact CD1-CZ2 3.85Å; Y115-W332 HydrophobicContact CD2-CZ2 4.5Å; Y115-W332 AromaticContact CE1-CH2 3.61Å; Y115-W332 HydrophobicContact CE1-CH2 3.61Å; Y115-W332 AromaticContact CE1-CZ2 3.52Å; Y115-W332 HydrophobicContact CE1-CZ2 3.52Å; Y115-W332 HydrophobicContact CE2-CZ2 4.21Å; Y115-W332 HydrophobicContact CG-CZ2 4.33Å; Y115-W332 AromaticContact CZ-CZ2 3.72Å; F196-W332 HydrophobicContact CE2-CB 3.99Å; F196-W332 AromaticContact CE2-CE3 3.81Å; F196-W332 HydrophobicContact CE2-CE3 3.81Å; F196-W332 AromaticContact CZ-CE3 3.84Å; F196-W332 HydrophobicContact CZ-CE3 3.84Å; F196-W332 HydrophobicContact CZ-CZ3 4.48Å; M199-W332 HydrophobicContact CB-CH2 4.04Å; M199-W332 HydrophobicContact CB-CZ3 4.14Å; L328-W332 VanDerWaalsContact O-CB 3.3Å; L328-W332 WeakPolarHBondContact O-CB 3.39Å; L328-W332 PolarHBondContact O-N 3.38Å; Q329-W332 PolarHBondContact O-N 3.43Å; W332-N334 VanDerWaalsContact C-N 3.3Å; W332-N334 PolarHBondContact O-N 3.32Å; W332-A335 PolarHBondContact O-N 2.96Å; W332-T336 HydrophobicContact CD2-CG2 3.8Å; W332-T336 HydrophobicContact CE3-CG2 3.7Å; W332-T336 HydrophobicContact CH2-CG2 3.81Å; W332-T336 HydrophobicContact CZ2-CG2 3.9Å; W332-T336 HydrophobicContact CZ3-CG2 3.7Å; W332-T336 WeakPolarHBondContact O-CG2 3.45Å; W332-T336 PolarHBondContact O-N 2.85Å; W332-T336 PolarHBondContact O-OG1 2.83Å |
| 333 | K | 97.6 | Very high | 95.2 | Very high | 151 Ų | 151 | 68 Ų | 68 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -55.2 | -44.7 | 178.2 | -179.3 | 179 | 176.3 | -176.3 | 0 | 112.5 | Q329 D330 L331 D337 | Q329-K333 PolarHBondContact O-N 3.27Å; D330-K333 PolarHBondContact O-N 3.17Å; L331-K333 PolarHBondContact O-N 3.08Å; K333-D337 PolarHBondContact O-N 3.18Å |
| 334 | N | 97.3 | Very high | 95 | Very high | 85 Ų | 85 | 68.1 Ų | 68.1 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.3 | -37.8 | -177.2 | -69 | -24.5 | 0 | 0 | 0 | 112.9 | Y315 D330 L331 W332 V340 | Y315-N334 HydrophobicContact CE2-CB 4.05Å; D330-N334 WeakPolarHBondContact O-CB 3.29Å; D330-N334 VanDerWaalsContact O-CG 3.23Å; D330-N334 PolarHBondContact O-N 3.23Å; D330-N334 PolarHBondContact O-ND2 3.14Å; L331-N334 PolarHBondContact O-N 2.96Å; W332-N334 VanDerWaalsContact C-N 3.3Å; W332-N334 PolarHBondContact O-N 3.32Å; N334-V340 WeakPolarHBondContact O-CG2 3.27Å |
| 335 | A | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 76.1 Ų | 76.1 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -76.4 | -35 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | F196 H198 Y315 M318 L331 W332 | F196-A335 HydrophobicContact CE1-CB 4.21Å; F196-A335 HydrophobicContact CZ-CB 3.83Å; H198-A335 PolarHBondContact NE2-O 3.33Å; Y315-A335 HydrophobicContact CD1-CB 4.44Å; Y315-A335 HydrophobicContact CD2-CB 4.13Å; Y315-A335 HydrophobicContact CG-CB 3.99Å; M318-A335 HydrophobicContact CE-CB 3.9Å; L331-A335 HydrophobicContact CD1-CB 4.31Å; L331-A335 WeakPolarHBondContact O-CB 3.35Å; L331-A335 PolarHBondContact O-N 2.93Å; W332-A335 PolarHBondContact O-N 2.96Å |
| 336 | T | 96.4 | Very high | 95.1 | Very high | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.233 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -90.3 | 5.4 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 113.8 | P200 W332 | P200-T336 HydrophobicContact CG-CG2 4.19Å; W332-T336 HydrophobicContact CD2-CG2 3.8Å; W332-T336 HydrophobicContact CE3-CG2 3.7Å; W332-T336 HydrophobicContact CH2-CG2 3.81Å; W332-T336 HydrophobicContact CZ2-CG2 3.9Å; W332-T336 HydrophobicContact CZ3-CG2 3.7Å; W332-T336 WeakPolarHBondContact O-CG2 3.45Å; W332-T336 PolarHBondContact O-N 2.85Å; W332-T336 PolarHBondContact O-OG1 2.83Å |
| 337 | D | 96.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 71.7 Ų | 71.7 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | trans | -59.9 | 128.8 | 174.9 | -173.3 | -51.8 | 0 | 0 | 0 | 109.3 | K333 K339 V340 | K333-D337 PolarHBondContact O-N 3.18Å; D337-K339 PolarHBondContact O-N 3.46Å; D337-K339 WeakPolarHBondContact OD1-CB 3.23Å; D337-K339 VanDerWaalsContact OD1-CG 3.24Å; D337-K339 WeakPolarHBondContact OD1-CG 3.38Å; D337-K339 PolarHBondContact OD1-N 3.46Å; D337-V340 HydrophobicContact CB-CG2 4.32Å; D337-V340 VanDerWaalsContact O-CB 3.25Å; D337-V340 WeakPolarHBondContact O-CB 3.45Å; D337-V340 WeakPolarHBondContact O-CG2 3.42Å; D337-V340 PolarHBondContact O-N 3.16Å | ||
| 338 | P | 93.2 | Very high | 95.1 | Very high | 106 Ų | 106 | 78.3 Ų | 78.3 | 69% | 0.688 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -52.4 | -27 | 179.7 | -28.3 | 35.2 | 0 | 0 | 0 | 114.5 | V340 K341 | P338-V340 PolarHBondContact O-N 2.79Å; P338-K341 PolarHBondContact O-N 2.95Å |
| 339 | K | 93.8 | Very high | 95 | Very high | 152 Ų | 152 | 78.6 Ų | 78.6 | 66% | 0.661 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.1 | -30.2 | 176.3 | -66.4 | 172.5 | -175.4 | 172 | 0 | 112.5 | D337 K341 T342 I343 | D337-K339 PolarHBondContact O-N 3.46Å; D337-K339 WeakPolarHBondContact OD1-CB 3.23Å; D337-K339 VanDerWaalsContact OD1-CG 3.24Å; D337-K339 WeakPolarHBondContact OD1-CG 3.38Å; D337-K339 PolarHBondContact OD1-N 3.46Å; K339-K341 VanDerWaalsContact C-N 3.3Å; K339-K341 PolarHBondContact O-N 2.81Å; K339-T342 WeakPolarHBondContact CA-OG1 3.47Å; K339-T342 PolarHBondContact O-N 2.74Å; K339-T342 PolarHBondContact O-OG1 3.43Å; K339-I343 PolarHBondContact O-N 3.3Å; K339-I343 VanDerWaalsContact O-N 3.09Å |
| 340 | V | 94.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.8 | -42.4 | 178.5 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | P312 Y315 E316 N334 D337 P338 T342 I343 | P312-V340 HydrophobicContact CB-CG2 4.33Å; Y315-V340 HydrophobicContact CD2-CG2 4.29Å; E316-V340 HydrophobicContact CB-CG1 4.12Å; N334-V340 WeakPolarHBondContact O-CG2 3.27Å; D337-V340 HydrophobicContact CB-CG2 4.32Å; D337-V340 VanDerWaalsContact O-CB 3.25Å; D337-V340 WeakPolarHBondContact O-CB 3.45Å; D337-V340 WeakPolarHBondContact O-CG2 3.42Å; D337-V340 PolarHBondContact O-N 3.16Å; P338-V340 PolarHBondContact O-N 2.79Å; V340-T342 PolarHBondContact O-N 2.75Å; V340-I343 WeakPolarHBondContact O-CG2 3.29Å |
| 341 | K | 87.9 | Confident | 94.9 | Very high | 117 Ų | 117 | 77.5 Ų | 77.5 | 51% | 0.509 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -69.5 | -18.2 | 177.6 | -68.5 | -160.7 | 174.6 | -157.9 | 0 | 113.5 | E204 P338 K339 | E204-K341 IonicContact OE2-NZ 3.28Å; E204-K341 PolarHBondContact OE2-NZ 3.43Å; P338-K341 PolarHBondContact O-N 2.95Å; K339-K341 VanDerWaalsContact C-N 3.3Å; K339-K341 PolarHBondContact O-N 2.81Å |
| 342 | T | 92.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 81.7 Ų | 81.7 | 49% | 0.491 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -101.3 | -10.3 | -176.2 | 64.6 | 0 | 0 | 0 | 0 | 114.1 | K339 V340 S344 K345 | K339-T342 WeakPolarHBondContact CA-OG1 3.47Å; K339-T342 PolarHBondContact O-N 2.74Å; K339-T342 PolarHBondContact O-OG1 3.43Å; V340-T342 PolarHBondContact O-N 2.75Å; T342-S344 VanDerWaalsContact C-N 3.29Å; T342-S344 PolarHBondContact O-N 2.8Å; T342-K345 WeakPolarHBondContact O-CB 3.37Å; T342-K345 PolarHBondContact O-N 2.77Å |
| 343 | I | 93.4 | Very high | 94.8 | Very high | 46 Ų | 46 | 80.4 Ų | 80.4 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.3 | -173.1 | -165.6 | 170.1 | 0 | 0 | 0 | 113.3 | P312 K339 V340 K345 G349 Y352 | P312-I343 HydrophobicContact CB-CD1 3.57Å; P312-I343 HydrophobicContact CG-CD1 4.33Å; K339-I343 PolarHBondContact O-N 3.3Å; K339-I343 VanDerWaalsContact O-N 3.09Å; V340-I343 WeakPolarHBondContact O-CG2 3.29Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-G349 WeakPolarHBondContact O-CA 3.36Å; I343-Y352 HydrophobicContact CD1-CE1 3.98Å; I343-Y352 HydrophobicContact CG1-CE1 4.33Å |
| 344 | S | 91.6 | Very high | 94.8 | Very high | 20 Ų | 20 | 79.6 Ų | 79.6 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 4.8 | 175.7 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | E316 T342 G346 Q350 | E316-S344 VanDerWaalsContact OE1-CB 3.24Å; E316-S344 WeakPolarHBondContact OE1-CB 3.3Å; E316-S344 PolarHBondContact OE1-OG 3.12Å; E316-S344 VanDerWaalsContact OE2-CB 3.25Å; E316-S344 WeakPolarHBondContact OE2-CB 3.29Å; E316-S344 PolarHBondContact OE2-OG 2.98Å; T342-S344 VanDerWaalsContact C-N 3.29Å; T342-S344 PolarHBondContact O-N 2.8Å; S344-G346 PolarHBondContact O-N 2.7Å; S344-Q350 WeakPolarHBondContact O-CG 3.47Å; S344-Q350 PolarHBondContact O-N 2.81Å |
| 345 | K | 93.7 | Very high | 94.7 | Very high | 172 Ų | 172 | 80.2 Ų | 80.2 | 75% | 0.748 | 40% | 0.397 | S | S | * | . | trans | -68.6 | 129.8 | -175.9 | -168.8 | 175.8 | -180 | 178.2 | 0 | 110.6 | T342 I343 | T342-K345 WeakPolarHBondContact O-CB 3.37Å; T342-K345 PolarHBondContact O-N 2.77Å; I343-K345 VanDerWaalsContact C-N 3.3Å | ||
| 346 | G | 94.9 | Very high | 94.7 | Very high | 44 Ų | 44 | 82.7 Ų | 82.7 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | 78.8 | 168 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S344 F348 G349 Q350 | S344-G346 PolarHBondContact O-N 2.7Å; G346-F348 PolarHBondContact O-N 3.45Å; G346-G349 PolarHBondContact O-N 3.08Å; G346-Q350 WeakPolarHBondContact O-CG 3.3Å; G346-Q350 PolarHBondContact O-N 2.89Å; G346-Q350 VanDerWaalsContact O-N 3.08Å |
| 347 | F | 94.3 | Very high | 94.7 | Very high | 144 Ų | 144 | 81.6 Ų | 81.6 | 63% | 0.632 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.8 | -47 | -171.8 | 179.6 | -105.7 | 0 | 0 | 0 | 113.5 | Q350 I351 | F347-Q350 PolarHBondContact O-N 3.49Å; F347-I351 HydrophobicContact CD1-CD1 3.79Å; F347-I351 HydrophobicContact CD2-CD1 4.35Å; F347-I351 HydrophobicContact CE1-CD1 3.31Å; F347-I351 HydrophobicContact CE2-CD1 3.93Å; F347-I351 HydrophobicContact CG-CD1 4.3Å; F347-I351 HydrophobicContact CZ-CD1 3.4Å; F347-I351 VanDerWaalsContact CZ-CD1 3.4Å; F347-I351 WeakPolarHBondContact O-CG1 3.36Å; F347-I351 PolarHBondContact O-N 2.94Å; F347-I351 VanDerWaalsContact O-N 3.11Å |
| 348 | F | 95.1 | Very high | 94.7 | Very high | 168 Ų | 168 | 81.3 Ų | 81.3 | 74% | 0.737 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.7 | -35.9 | -179.8 | -67.5 | -71.8 | 0 | 0 | 0 | 113 | G346 I351 Y352 | G346-F348 PolarHBondContact O-N 3.45Å; F348-I351 PolarHBondContact O-N 3.31Å; F348-Y352 VanDerWaalsContact O-CB 3.29Å; F348-Y352 WeakPolarHBondContact O-CB 3.39Å; F348-Y352 PolarHBondContact O-N 2.88Å |
| 349 | G | 95.3 | Very high | 94.8 | Very high | 13 Ų | 13 | 81.7 Ų | 81.7 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I343 G346 I351 Y352 C353 | I343-G349 WeakPolarHBondContact O-CA 3.36Å; G346-G349 PolarHBondContact O-N 3.08Å; G349-I351 PolarHBondContact O-N 3.34Å; G349-Y352 PolarHBondContact O-N 2.83Å; G349-C353 PolarHBondContact O-N 2.77Å |
| 350 | Q | 95.1 | Very high | 94.9 | Very high | 119 Ų | 119 | 76.4 Ų | 76.4 | 56% | 0.556 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 175.2 | -67.4 | -179 | -4.4 | 0 | 0 | 112.1 | S344 G346 F347 R354 | S344-Q350 WeakPolarHBondContact O-CG 3.47Å; S344-Q350 PolarHBondContact O-N 2.81Å; G346-Q350 WeakPolarHBondContact O-CG 3.3Å; G346-Q350 PolarHBondContact O-N 2.89Å; G346-Q350 VanDerWaalsContact O-N 3.08Å; F347-Q350 PolarHBondContact O-N 3.49Å; Q350-R354 VanDerWaalsContact O-CB 3.29Å; Q350-R354 WeakPolarHBondContact O-CB 3.42Å; Q350-R354 PolarHBondContact O-N 2.71Å |
| 351 | I | 96.4 | Very high | 94.8 | Very high | 70 Ų | 70 | 76.8 Ų | 76.8 | 36% | 0.359 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.2 | -48.6 | 176.8 | -70.4 | 172.2 | 0 | 0 | 0 | 110.5 | F347 F348 G349 C353 R354 L355 | F347-I351 HydrophobicContact CD1-CD1 3.79Å; F347-I351 HydrophobicContact CD2-CD1 4.35Å; F347-I351 HydrophobicContact CE1-CD1 3.31Å; F347-I351 HydrophobicContact CE2-CD1 3.93Å; F347-I351 HydrophobicContact CG-CD1 4.3Å; F347-I351 HydrophobicContact CZ-CD1 3.4Å; F347-I351 VanDerWaalsContact CZ-CD1 3.4Å; F347-I351 WeakPolarHBondContact O-CG1 3.36Å; F347-I351 PolarHBondContact O-N 2.94Å; F347-I351 VanDerWaalsContact O-N 3.11Å; F348-I351 PolarHBondContact O-N 3.31Å; G349-I351 PolarHBondContact O-N 3.34Å; I351-C353 PolarHBondContact O-N 2.85Å; I351-R354 PolarHBondContact O-N 3.42Å; I351-L355 HydrophobicContact CG2-CD1 3.84Å; I351-L355 HydrophobicContact CG2-CG 4.33Å; I351-L355 WeakPolarHBondContact O-CG 3.37Å; I351-L355 PolarHBondContact O-N 3.18Å |
| 352 | Y | 96.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 73.2 Ų | 73.2 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.8 | -51.4 | 178.5 | 169.7 | -99.2 | 0 | 0 | 0 | 111.2 | H311 C313 I343 F348 G349 R354 L355 M356 | H311-Y352 PolarHBondContact CE1-OH 3.01Å; H311-Y352 PolarHBondContact NE2-OH 3.44Å; C313-Y352 WeakPolarHBondContact SG-CE1 3.29Å; I343-Y352 HydrophobicContact CD1-CE1 3.98Å; I343-Y352 HydrophobicContact CG1-CE1 4.33Å; F348-Y352 VanDerWaalsContact O-CB 3.29Å; F348-Y352 WeakPolarHBondContact O-CB 3.39Å; F348-Y352 PolarHBondContact O-N 2.88Å; G349-Y352 PolarHBondContact O-N 2.83Å; Y352-R354 PolarHBondContact O-N 2.67Å; Y352-L355 PolarHBondContact O-N 3.19Å; Y352-M356 HydrophobicContact CD2-CE 4.17Å; Y352-M356 HydrophobicContact CD2-CG 4.26Å; Y352-M356 HydrophobicContact CE1-CG 4.09Å; Y352-M356 HydrophobicContact CE2-CE 3.31Å; Y352-M356 HydrophobicContact CE2-CG 3.84Å; Y352-M356 HydrophobicContact CE2-SD 4.44Å; Y352-M356 WeakPolarHBondContact O-CG 3.48Å; Y352-M356 PolarHBondContact O-N 2.74Å |
| 353 | C | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.2 | -34.5 | -179.4 | -77.7 | 0 | 0 | 0 | 0 | 113.3 | C313 G349 I351 M356 K357 | C313-C353 HydrophobicContact CB-CB 3.53Å; C313-C353 WeakPolarHBondContact CB-SG 3.16Å; C313-C353 WeakPolarHBondContact SG-CA 3.16Å; C313-C353 WeakPolarHBondContact SG-CB 3.46Å; C313-C353 CovalentContact SG-SG 2.05Å; C313-C353 PolarHBondContact SG-SG 2.93Å; G349-C353 PolarHBondContact O-N 2.77Å; I351-C353 PolarHBondContact O-N 2.85Å; C353-M356 PolarHBondContact O-N 2.82Å; C353-K357 WeakPolarHBondContact O-CB 3.49Å; C353-K357 VanDerWaalsContact O-CG 3.28Å; C353-K357 WeakPolarHBondContact O-CG 3.5Å; C353-K357 PolarHBondContact O-N 3.31Å |
| 354 | R | 96.8 | Very high | 94.5 | Very high | 134 Ų | 134 | 81.8 Ų | 81.8 | 51% | 0.506 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 172.1 | -176.9 | 174.1 | -71 | 173.8 | -1.6 | 111.2 | Q350 I351 Y352 K357 I358 | Q350-R354 VanDerWaalsContact O-CB 3.29Å; Q350-R354 WeakPolarHBondContact O-CB 3.42Å; Q350-R354 PolarHBondContact O-N 2.71Å; I351-R354 PolarHBondContact O-N 3.42Å; Y352-R354 PolarHBondContact O-N 2.67Å; R354-K357 PolarHBondContact O-N 3.34Å; R354-I358 HydrophobicContact CG-CD1 4.14Å; R354-I358 VanDerWaalsContact O-CG1 3.31Å; R354-I358 WeakPolarHBondContact O-CG1 3.4Å; R354-I358 PolarHBondContact O-N 3.44Å |
| 355 | L | 97 | Very high | 94 | Very high | 97 Ų | 97 | 84.4 Ų | 84.4 | 51% | 0.508 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.8 | -70.8 | 172.7 | 0 | 0 | 0 | 111.7 | I351 Y352 K357 I358 I359 | I351-L355 HydrophobicContact CG2-CD1 3.84Å; I351-L355 HydrophobicContact CG2-CG 4.33Å; I351-L355 WeakPolarHBondContact O-CG 3.37Å; I351-L355 PolarHBondContact O-N 3.18Å; Y352-L355 PolarHBondContact O-N 3.19Å; L355-K357 PolarHBondContact O-N 3.23Å; L355-I358 PolarHBondContact O-N 2.91Å; L355-I359 WeakPolarHBondContact O-CG1 3.48Å; L355-I359 PolarHBondContact O-N 2.88Å |
| 356 | M | 96.9 | Very high | 93.1 | Very high | 53 Ų | 53 | 84.7 Ų | 84.7 | 26% | 0.261 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 177.7 | -72.5 | -58.3 | 178.4 | 0 | 0 | 112 | C313 Y352 C353 I358 I359 L360 | C313-M356 HydrophobicContact CB-CB 4.46Å; Y352-M356 HydrophobicContact CD2-CE 4.17Å; Y352-M356 HydrophobicContact CD2-CG 4.26Å; Y352-M356 HydrophobicContact CE1-CG 4.09Å; Y352-M356 HydrophobicContact CE2-CE 3.31Å; Y352-M356 HydrophobicContact CE2-CG 3.84Å; Y352-M356 HydrophobicContact CE2-SD 4.44Å; Y352-M356 WeakPolarHBondContact O-CG 3.48Å; Y352-M356 PolarHBondContact O-N 2.74Å; C353-M356 PolarHBondContact O-N 2.82Å; M356-I358 VanDerWaalsContact C-N 3.33Å; M356-I358 PolarHBondContact O-N 3.48Å; M356-I359 PolarHBondContact O-N 3.42Å; M356-I359 HydrophobicContact SD-CD1 4.43Å; M356-L360 WeakPolarHBondContact O-CB 3.46Å; M356-L360 WeakPolarHBondContact O-CG 3.37Å; M356-L360 PolarHBondContact O-N 3.05Å |
| 357 | K | 96.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 86.2 Ų | 86.2 | 7% | 0.065 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.8 | -38.9 | 174.9 | -69.9 | -173.4 | -66.9 | -176.5 | 0 | 112.2 | I314 C353 R354 L355 L360 L361 A375 I377 | I314-K357 HydrophobicContact CD1-CG 3.94Å; C353-K357 WeakPolarHBondContact O-CB 3.49Å; C353-K357 VanDerWaalsContact O-CG 3.28Å; C353-K357 WeakPolarHBondContact O-CG 3.5Å; C353-K357 PolarHBondContact O-N 3.31Å; R354-K357 PolarHBondContact O-N 3.34Å; L355-K357 PolarHBondContact O-N 3.23Å; K357-L360 PolarHBondContact O-N 3.17Å; K357-L361 HydrophobicContact CB-CD1 4.31Å; K357-L361 WeakPolarHBondContact O-CB 3.44Å; K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 3.09Å; K357-A375 HydrophobicContact CB-CB 3.6Å; K357-A375 WeakPolarHBondContact CE-O 3.43Å; K357-I377 PolarHBondContact NZ-OXT 2.66Å |
| 358 | I | 96.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 80.2 Ų | 80.2 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 175.2 | -69.3 | 166.8 | 0 | 0 | 0 | 110.1 | R354 L355 M356 L360 C362 A375 F376 | R354-I358 HydrophobicContact CG-CD1 4.14Å; R354-I358 VanDerWaalsContact O-CG1 3.31Å; R354-I358 WeakPolarHBondContact O-CG1 3.4Å; R354-I358 PolarHBondContact O-N 3.44Å; L355-I358 PolarHBondContact O-N 2.91Å; M356-I358 VanDerWaalsContact C-N 3.33Å; M356-I358 PolarHBondContact O-N 3.48Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 3.3Å; I358-C362 HydrophobicContact CG2-CB 4.31Å; I358-C362 WeakPolarHBondContact O-CA 3.05Å; I358-C362 WeakPolarHBondContact O-CB 3.19Å; I358-C362 PolarHBondContact O-N 3.17Å; I358-A375 HydrophobicContact CG1-CB 3.82Å; I358-F376 HydrophobicContact CD1-CE1 3.89Å; I358-F376 HydrophobicContact CD1-CZ 4Å; I358-F376 HydrophobicContact CG1-CE1 4.25Å; I358-F376 HydrophobicContact CG1-CZ 3.97Å |
| 359 | I | 95.6 | Very high | 91.6 | Very high | 114 Ų | 114 | 72.8 Ų | 72.8 | 59% | 0.585 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | 179.9 | -67.8 | 165.3 | 0 | 0 | 0 | 111.3 | L355 M356 | L355-I359 WeakPolarHBondContact O-CG1 3.48Å; L355-I359 PolarHBondContact O-N 2.88Å; M356-I359 PolarHBondContact O-N 3.42Å; M356-I359 HydrophobicContact SD-CD1 4.43Å |
| 360 | L | 94.9 | Very high | 91.5 | Very high | 41 Ų | 41 | 72.5 Ų | 72.5 | 22% | 0.215 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -81.3 | -35.7 | -174.2 | -66.8 | 172.3 | 0 | 0 | 0 | 113.4 | P309 H311 I314 M356 K357 I358 K363 | P309-L360 HydrophobicContact CB-CB 4.19Å; P309-L360 HydrophobicContact CB-CD1 4.22Å; P309-L360 HydrophobicContact CB-CD2 4.18Å; P309-L360 HydrophobicContact CB-CG 4.43Å; P309-L360 HydrophobicContact CG-CB 4.13Å; H311-L360 HydrophobicContact CB-CD1 3.64Å; I314-L360 HydrophobicContact CD1-CB 4.49Å; I314-L360 HydrophobicContact CD1-CD1 4.27Å; I314-L360 HydrophobicContact CG1-CD1 3.93Å; M356-L360 WeakPolarHBondContact O-CB 3.46Å; M356-L360 WeakPolarHBondContact O-CG 3.37Å; M356-L360 PolarHBondContact O-N 3.05Å; K357-L360 PolarHBondContact O-N 3.17Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 3.3Å; L360-K363 WeakPolarHBondContact O-CE 3.44Å |
| 361 | L | 93.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -106.5 | -24.4 | -170.1 | -55.3 | -177.8 | 0 | 0 | 0 | 114.2 | P309 I314 K357 K363 Y370 A374 | P309-L361 HydrophobicContact CG-CD2 4.03Å; I314-L361 HydrophobicContact CD1-CD1 3.99Å; I314-L361 HydrophobicContact CD1-CD2 4Å; I314-L361 HydrophobicContact CD1-CG 3.99Å; K357-L361 HydrophobicContact CB-CD1 4.31Å; K357-L361 WeakPolarHBondContact O-CB 3.44Å; K357-L361 WeakPolarHBondContact O-CG 3.36Å; K357-L361 PolarHBondContact O-N 3.09Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.34Å; L361-Y370 HydrophobicContact CD1-CD2 4.44Å; L361-Y370 HydrophobicContact CD2-CD2 4.33Å; L361-A374 HydrophobicContact CD1-CB 3.95Å |
| 362 | C | 92.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 67.6 Ų | 67.6 | 28% | 0.277 | 34% | 0.338 | S | S | . | . | trans | -94.9 | 48.5 | -179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | I358 C372 | I358-C362 HydrophobicContact CG2-CB 4.31Å; I358-C362 WeakPolarHBondContact O-CA 3.05Å; I358-C362 WeakPolarHBondContact O-CB 3.19Å; I358-C362 PolarHBondContact O-N 3.17Å; C362-C372 HydrophobicContact CB-CB 3.84Å; C362-C372 WeakPolarHBondContact CB-SG 3.48Å; C362-C372 VanDerWaalsContact SG-CA 3.53Å; C362-C372 WeakPolarHBondContact SG-CB 3.11Å; C362-C372 CovalentContact SG-SG 2.04Å; C362-C372 PolarHBondContact SG-SG 3.25Å | ||
| 363 | K | 88.6 | Confident | 91.1 | Very high | 122 Ų | 122 | 69.3 Ų | 69.3 | 53% | 0.53 | 34% | 0.344 | S | S | . | . | trans | -78.2 | 151.1 | 176.3 | -64.7 | -174.1 | 179.6 | -179 | 0 | 110.9 | L360 L361 S365 | L360-K363 WeakPolarHBondContact O-CE 3.44Å; L361-K363 VanDerWaalsContact C-N 3.27Å; L361-K363 PolarHBondContact O-N 3.34Å; K363-S365 VanDerWaalsContact C-N 3.31Å | ||
| 364 | I | 84.8 | Confident | 91 | Very high | 184 Ų | 184 | 69.1 Ų | 69.1 | 94% | 0.944 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -69.5 | -33.8 | 176.2 | -60 | 173.5 | 0 | 0 | 0 | 110.6 | ||
| 365 | S | 81.4 | Confident | 90.9 | Very high | 75 Ų | 75 | 62.8 Ų | 62.8 | 52% | 0.524 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -76.2 | 128.4 | 174.4 | 58.1 | 0 | 0 | 0 | 0 | 111 | K363 V367 | K363-S365 VanDerWaalsContact C-N 3.31Å; S365-V367 PolarHBondContact O-N 3.04Å |
| 366 | Y | 75.5 | Confident | 90.7 | Very high | 178 Ų | 178 | 63.6 Ų | 63.6 | 70% | 0.698 | 32% | 0.318 | S | S | * | . | trans | -68.2 | 124.9 | 172.5 | -177.9 | -100 | 0 | 0 | 0 | 110.4 | R221 D368 | R221-Y366 PolarHBondContact NH2-OH 3.28Å; Y366-D368 HydrophobicContact CE1-CB 3.84Å; Y366-D368 PolarHBondContact OH-OD1 3Å | ||
| 367 | V | 78.1 | Confident | 90.2 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | trans | -129.2 | 124.4 | 168 | -168.7 | 0 | 0 | 0 | 0 | 105.8 | S365 T369 | S365-V367 PolarHBondContact O-N 3.04Å; V367-T369 HydrophobicContact CB-CG2 4.37Å; V367-T369 HydrophobicContact CG1-CG2 3.62Å; V367-T369 PolarHBondContact O-N 2.92Å; V367-T369 PolarHBondContact O-OG1 3.13Å | ||
| 368 | D | 84.1 | Confident | 89.9 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 10% | 0.096 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -74.7 | 66.7 | -175.3 | -168.8 | 31.9 | 0 | 0 | 0 | 112.2 | R221 G304 E305 G306 Y366 | R221-D368 IonicContact CZ-OD1 3.46Å; R221-D368 VanDerWaalsContact CZ-OD1 3.27Å; R221-D368 IonicContact NE-OD1 3.59Å; R221-D368 PolarHBondContact NE-OD1 3.08Å; R221-D368 IonicContact NH2-OD1 3.59Å; R221-D368 PolarHBondContact NH2-OD1 3.08Å; G304-D368 CarbonylContact C-O 3.56Å; G304-D368 VanDerWaalsContact CA-O 3.22Å; G304-D368 WeakPolarHBondContact CA-O 3.04Å; G304-D368 PolarHBondContact N-O 3.48Å; E305-D368 HydrophobicContact CB-CB 4.41Å; E305-D368 PolarHBondContact N-O 3.28Å; E305-D368 PolarHBondContact N-OD2 2.87Å; E305-D368 VanDerWaalsContact N-OD2 3.13Å; G306-D368 PolarHBondContact N-O 2.99Å; Y366-D368 HydrophobicContact CE1-CB 3.84Å; Y366-D368 PolarHBondContact OH-OD1 3Å |
| 369 | T | 89.4 | Confident | 89.6 | Confident | 13 Ų | 13 | 69.8 Ų | 69.8 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -121 | -124.4 | -177.5 | 58.8 | 0 | 0 | 0 | 0 | 108.6 | G306 K307 V367 | G306-T369 VanDerWaalsContact C-CG2 3.43Å; G306-T369 WeakPolarHBondContact O-CG2 3.48Å; K307-T369 WeakPolarHBondContact O-CG2 3.47Å; V367-T369 HydrophobicContact CB-CG2 4.37Å; V367-T369 HydrophobicContact CG1-CG2 3.62Å; V367-T369 PolarHBondContact O-N 2.92Å; V367-T369 PolarHBondContact O-OG1 3.13Å |
| 370 | Y | 94.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 2% | 0.024 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -87.5 | 139.3 | 170.9 | -56.4 | -27.5 | 0 | 0 | 0 | 110.6 | V300 F301 T308 I314 M318 T320 L361 | V300-Y370 WeakPolarHBondContact O-CD1 3.09Å; F301-Y370 HydrophobicContact CB-CE1 4.41Å; F301-Y370 HydrophobicContact CD1-CD2 4.2Å; F301-Y370 HydrophobicContact CD1-CE2 4.12Å; F301-Y370 WeakPolarHBondContact O-CE1 3.42Å; F301-Y370 PolarHBondContact O-OH 3.28Å; T308-Y370 HydrophobicContact CG2-CD1 4.19Å; T308-Y370 HydrophobicContact CG2-CD2 4.09Å; T308-Y370 HydrophobicContact CG2-CE1 3.61Å; T308-Y370 HydrophobicContact CG2-CE2 3.51Å; T308-Y370 HydrophobicContact CG2-CG 4.41Å; I314-Y370 HydrophobicContact CG2-CD2 4.24Å; I314-Y370 HydrophobicContact CG2-CE2 3.76Å; M318-Y370 WeakPolarHBondContact CA-OH 3.24Å; M318-Y370 WeakPolarHBondContact CB-OH 3.44Å; M318-Y370 WeakPolarHBondContact CG-OH 3.43Å; T320-Y370 WeakPolarHBondContact O-CE1 3.42Å; T320-Y370 PolarHBondContact O-OH 3.33Å; L361-Y370 HydrophobicContact CD1-CD2 4.44Å; L361-Y370 HydrophobicContact CD2-CD2 4.33Å |
| 371 | P | 92.9 | Very high | 88.9 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 22% | 0.221 | 35% | 0.345 | C | S | . | . | trans | -73.1 | 156.4 | 177.6 | 34 | -37.3 | 0 | 0 | 0 | 110.5 | Y298 V300 R373 A374 | Y298-P371 HydrophobicContact CE1-CG 4.04Å; Y298-P371 VanDerWaalsContact OH-CD 3.28Å; Y298-P371 WeakPolarHBondContact OH-CD 3.32Å; Y298-P371 VanDerWaalsContact OH-CG 3.31Å; Y298-P371 WeakPolarHBondContact OH-CG 3.38Å; V300-P371 HydrophobicContact CB-CG 4.37Å; V300-P371 WeakPolarHBondContact O-CD 3.23Å; P371-R373 HydrophobicContact CB-CG 3.9Å; P371-R373 HydrophobicContact CG-CG 3.52Å; P371-R373 PolarHBondContact O-N 2.98Å; P371-A374 HydrophobicContact CG-CB 4.48Å; P371-A374 WeakPolarHBondContact O-CB 3.08Å; P371-A374 PolarHBondContact O-N 3.43Å | ||
| 372 | C | 93.5 | Very high | 88.6 | Confident | 53 Ų | 53 | 72.3 Ų | 72.3 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -51.8 | -31.9 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 113.6 | C362 A374 A375 | C362-C372 HydrophobicContact CB-CB 3.84Å; C362-C372 WeakPolarHBondContact CB-SG 3.48Å; C362-C372 VanDerWaalsContact SG-CA 3.53Å; C362-C372 WeakPolarHBondContact SG-CB 3.11Å; C362-C372 CovalentContact SG-SG 2.04Å; C362-C372 PolarHBondContact SG-SG 3.25Å; C372-A374 PolarHBondContact O-N 3.29Å; C372-A374 VanDerWaalsContact O-N 3.14Å; C372-A375 VanDerWaalsContact O-CB 3.26Å; C372-A375 WeakPolarHBondContact O-CB 3.46Å; C372-A375 PolarHBondContact O-N 2.93Å |
| 373 | R | 93.8 | Very high | 88.3 | Confident | 127 Ų | 127 | 74.4 Ų | 74.4 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -58.1 | -26.4 | 175.1 | 65.1 | 171.1 | 169.2 | -174.1 | -7.8 | 114.1 | Y298 V300 P371 A375 F376 | Y298-R373 VanDerWaalsContact CG-NH2 3.27Å; V300-R373 HydrophobicContact CG1-CG 4.11Å; P371-R373 HydrophobicContact CB-CG 3.9Å; P371-R373 HydrophobicContact CG-CG 3.52Å; P371-R373 PolarHBondContact O-N 2.98Å; R373-A375 PolarHBondContact O-N 3Å; R373-F376 PolarHBondContact O-N 3Å; R373-F376 VanDerWaalsContact O-N 3.13Å |
| 374 | A | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -65.4 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V300 F301 L361 P371 C372 F376 I377 | V300-A374 HydrophobicContact CB-CB 4.05Å; V300-A374 HydrophobicContact CG2-CB 4.15Å; F301-A374 HydrophobicContact CD1-CB 4.33Å; F301-A374 HydrophobicContact CE1-CB 3.79Å; F301-A374 HydrophobicContact CZ-CB 4.22Å; L361-A374 HydrophobicContact CD1-CB 3.95Å; P371-A374 HydrophobicContact CG-CB 4.48Å; P371-A374 WeakPolarHBondContact O-CB 3.08Å; P371-A374 PolarHBondContact O-N 3.43Å; C372-A374 PolarHBondContact O-N 3.29Å; C372-A374 VanDerWaalsContact O-N 3.14Å; A374-F376 PolarHBondContact O-N 3.35Å; A374-I377 VanDerWaalsContact O-OXT 3.11Å |
| 375 | A | 94.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -70.7 | -20.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | K357 I358 C372 R373 | K357-A375 HydrophobicContact CB-CB 3.6Å; K357-A375 WeakPolarHBondContact CE-O 3.43Å; I358-A375 HydrophobicContact CG1-CB 3.82Å; C372-A375 VanDerWaalsContact O-CB 3.26Å; C372-A375 WeakPolarHBondContact O-CB 3.46Å; C372-A375 PolarHBondContact O-N 2.93Å; R373-A375 PolarHBondContact O-N 3Å |
| 376 | F | 92.8 | Very high | 89.2 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | trans | -105 | -7.4 | -174.1 | -57.4 | -81.5 | 0 | 0 | 0 | 113.9 | I358 R373 A374 | I358-F376 HydrophobicContact CD1-CE1 3.89Å; I358-F376 HydrophobicContact CD1-CZ 4Å; I358-F376 HydrophobicContact CG1-CE1 4.25Å; I358-F376 HydrophobicContact CG1-CZ 3.97Å; R373-F376 PolarHBondContact O-N 3Å; R373-F376 VanDerWaalsContact O-N 3.13Å; A374-F376 PolarHBondContact O-N 3.35Å | ||
| 377 | I | 87.3 | Confident | 90.4 | Very high | 115 Ų | 115 | 50.6 Ų | 50.6 | 59% | 0.59 | 26% | 0.256 | S | S | * | . | trans | -98.2 | 0 | 170.3 | -59.9 | 163.7 | 0 | 0 | 0 | 107.1 | V300 F301 K357 A374 | V300-I377 HydrophobicContact CB-CD1 4.32Å; V300-I377 HydrophobicContact CG1-CD1 3.8Å; V300-I377 HydrophobicContact CG2-CD1 3.72Å; F301-I377 HydrophobicContact CE2-CB 4.43Å; F301-I377 HydrophobicContact CE2-CG2 4.03Å; F301-I377 HydrophobicContact CZ-CB 4.44Å; F301-I377 HydrophobicContact CZ-CG2 4.48Å; K357-I377 PolarHBondContact NZ-OXT 2.66Å; A374-I377 VanDerWaalsContact O-OXT 3.11Å |
Retrieved 377 of 377 residues in 87.8 ms
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