| 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 | 42.9 | Very low | 42.7 | Very low | 246 Ų | 246 | 156.6 Ų | 156.6 | 100% | 1.212 | 74% | 0.742 | S | S | * | * | 0 | 105.6 | 0 | -71.3 | -174.4 | 172.5 | 0 | 0 | 109.8 | |||||
| 2 | G | 40.8 | Very low | 42.6 | Very low | 78 Ų | 78 | 147.6 Ų | 147.6 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | -87.3 | 116 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K4 | G2-K4 PolarHBondContact O-N 3.13Š| ||
| 3 | R | 42.1 | Very low | 42.7 | Very low | 214 Ų | 214 | 147.2 Ų | 147.2 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | -67.7 | 111.1 | 173.7 | -71.1 | -179.9 | 179.3 | 165.8 | -0.2 | 109.6 | Y5 | R3-Y5 HydrophobicContact CB-CE2 4.27Å; R3-Y5 WeakPolarHBondContact O-CD2 3.28Å; R3-Y5 PolarHBondContact O-N 3.44Å | ||
| 4 | K | 47.6 | Very low | 43.1 | Very low | 184 Ų | 184 | 148.8 Ų | 148.8 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | trans | -75.4 | 103.6 | 171.3 | -77 | 179 | -178.6 | 169.5 | 0 | 109 | G2 V6 | G2-K4 PolarHBondContact O-N 3.13Å; K4-V6 PolarHBondContact O-N 3.45Å; K4-V6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | Y | 44.9 | Very low | 43.7 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -70.7 | 103.6 | 173.2 | -66.4 | -88.6 | 0 | 0 | 0 | 109.9 | R3 C7 | R3-Y5 HydrophobicContact CB-CE2 4.27Å; R3-Y5 WeakPolarHBondContact O-CD2 3.28Å; R3-Y5 PolarHBondContact O-N 3.44Å; Y5-C7 PolarHBondContact O-N 3.01Å | ||
| 6 | V | 45.8 | Very low | 44.3 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 62% | 0.618 | 68% | 0.681 | S | S | * | * | trans | -83.2 | 103.7 | 169.4 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | K4 R8 | K4-V6 PolarHBondContact O-N 3.45Å; K4-V6 VanDerWaalsContact O-N 3.12Å; V6-R8 PolarHBondContact O-N 2.84Å | ||
| 7 | C | 36.5 | Very low | 45 | Very low | 86 Ų | 86 | 138.1 Ų | 138.1 | 58% | 0.581 | 68% | 0.683 | S | S | * | * | trans | -68 | 103.4 | 172.4 | -69.5 | 0 | 0 | 0 | 0 | 108.9 | Y5 | Y5-C7 PolarHBondContact O-N 3.01Š| ||
| 8 | R | 33.4 | Very low | 45.5 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 71% | 0.709 | 66% | 0.66 | S | S | * | * | B | Isolated β-bridge | trans | -82.2 | 133 | 168.9 | -71.7 | -177.5 | 178.7 | 175.8 | -0.8 | 108.3 | V6 | V6-R8 PolarHBondContact O-N 2.84Å |
| 9 | T | 40.7 | Very low | 45.7 | Very low | 43 Ų | 43 | 135.8 Ų | 135.8 | 26% | 0.264 | 66% | 0.664 | S | S | . | * | trans | -64.8 | 156.9 | 166.4 | 59.9 | 0 | 0 | 0 | 0 | 109.2 | M11 G12 F13 Q15 | T9-M11 PolarHBondContact O-N 2.89Å; T9-G12 PolarHBondContact O-N 2.93Å; T9-F13 PolarHBondContact N-O 2.82Å; T9-F13 PolarHBondContact OG1-N 3.43Å; T9-F13 PolarHBondContact OG1-O 3.01Å; T9-Q15 HydrophobicContact CG2-CB 4.4Å; T9-Q15 HydrophobicContact CG2-CG 3.63Å | ||
| 10 | R | 47.7 | Very low | 45.9 | Very low | 261 Ų | 261 | 133.1 Ų | 133.1 | 99% | 0.985 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.2 | -17.2 | 179 | -79.4 | -172.8 | 177 | -176.8 | -0.5 | 114.1 | ||
| 11 | M | 47.8 | Very low | 45.9 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 62% | 0.616 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 8.3 | 179.1 | -62 | -60.9 | -68.5 | 0 | 0 | 113.6 | T9 F13 | T9-M11 PolarHBondContact O-N 2.89Å; M11-F13 HydrophobicContact CB-CD2 3.71Å; M11-F13 HydrophobicContact CB-CE2 3.94Å; M11-F13 PolarHBondContact O-N 3.08Å |
| 12 | G | 40.5 | Very low | 46.1 | Very low | 48 Ų | 48 | 129.3 Ų | 129.3 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | trans | 79.1 | -6.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | T9 K14 | T9-G12 PolarHBondContact O-N 2.93Å; G12-K14 PolarHBondContact O-N 2.84Å | ||
| 13 | F | 43.9 | Very low | 46.7 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | trans | -67.8 | 128.8 | 175.7 | -64.4 | -77.5 | 0 | 0 | 0 | 110.6 | T9 M11 Q15 | T9-F13 PolarHBondContact N-O 2.82Å; T9-F13 PolarHBondContact OG1-N 3.43Å; T9-F13 PolarHBondContact OG1-O 3.01Å; M11-F13 HydrophobicContact CB-CD2 3.71Å; M11-F13 HydrophobicContact CB-CE2 3.94Å; M11-F13 PolarHBondContact O-N 3.08Å; F13-Q15 PolarHBondContact O-N 3.12Å | ||
| 14 | K | 48.3 | Very low | 47.5 | Very low | 170 Ų | 170 | 125.6 Ų | 125.6 | 74% | 0.739 | 62% | 0.621 | S | S | * | * | B | Isolated β-bridge | trans | -59.7 | 110 | 168.4 | -73.4 | -178.3 | -179.3 | 175.1 | 0 | 107 | G12 | G12-K14 PolarHBondContact O-N 2.84Å |
| 15 | Q | 52.7 | Low | 48.1 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | trans | -61.1 | 130 | 171.4 | -121.7 | 170.8 | 6.2 | 0 | 0 | 107.3 | T9 F13 S17 | T9-Q15 HydrophobicContact CG2-CB 4.4Å; T9-Q15 HydrophobicContact CG2-CG 3.63Å; F13-Q15 PolarHBondContact O-N 3.12Å; Q15-S17 PolarHBondContact O-N 3Å | ||
| 16 | P | 53.8 | Low | 48.9 | Very low | 61 Ų | 61 | 120.3 Ų | 120.3 | 40% | 0.396 | 61% | 0.612 | S | S | . | * | trans | -57.1 | 121 | 173.6 | 21.1 | -29 | 0 | 0 | 0 | 107.5 | F18 Y31 | P16-F18 HydrophobicContact CG-CE2 4.01Å; P16-F18 HydrophobicContact CG-CZ 3.99Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 2.85Å; P16-Y31 HydrophobicContact CG-CD1 4.37Å; P16-Y31 HydrophobicContact CG-CE1 4.25Å | ||
| 17 | S | 55.4 | Low | 49.4 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | trans | -71.4 | 101.2 | 179.4 | 56 | 0 | 0 | 0 | 0 | 107.9 | Q15 K19 | Q15-S17 PolarHBondContact O-N 3Å; S17-K19 PolarHBondContact O-N 2.96Å | ||
| 18 | F | 54.7 | Low | 50.3 | Low | 61 Ų | 61 | 120.2 Ų | 120.2 | 27% | 0.268 | 59% | 0.592 | S | S | . | * | trans | -71.9 | 68.4 | 170.5 | -60.5 | -80.4 | 0 | 0 | 0 | 109.5 | P16 G20 R28 Y31 | P16-F18 HydrophobicContact CG-CE2 4.01Å; P16-F18 HydrophobicContact CG-CZ 3.99Å; P16-F18 VanDerWaalsContact O-CD2 3.25Å; P16-F18 WeakPolarHBondContact O-CD2 3.47Å; P16-F18 PolarHBondContact O-N 2.85Å; F18-G20 PolarHBondContact O-N 2.7Å; F18-R28 HydrophobicContact CD2-CG 4.01Å; F18-R28 HydrophobicContact CE2-CB 4.19Å; F18-R28 HydrophobicContact CE2-CG 3.88Å; F18-R28 HydrophobicContact CG-CG 4.41Å; F18-R28 HydrophobicContact CZ-CB 4.45Å; F18-R28 HydrophobicContact CZ-CG 4.16Å; F18-Y31 HydrophobicContact CE1-CD1 4.44Å; F18-Y31 HydrophobicContact CZ-CD1 4.05Å; F18-Y31 HydrophobicContact CZ-CG 4.43Å | ||
| 19 | K | 48.2 | Very low | 51.4 | Low | 172 Ų | 172 | 114.4 Ų | 114.4 | 75% | 0.748 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 126.5 | 169.3 | -88.1 | -171.7 | 171.2 | -170 | 0 | 108.5 | S17 I21 | S17-K19 PolarHBondContact O-N 2.96Å; K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 PolarHBondContact O-N 2.93Å |
| 20 | G | 51.2 | Low | 52.4 | Low | 81 Ų | 81 | 117.2 Ų | 117.2 | 84% | 0.835 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.4 | 0.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | F18 | F18-G20 PolarHBondContact O-N 2.7Š|
| 21 | I | 44.3 | Very low | 53.1 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 41% | 0.41 | 57% | 0.57 | S | S | . | * | trans | -115.8 | 99.5 | -177.1 | -58.3 | 179.8 | 0 | 0 | 0 | 109.5 | K19 R23 R28 | K19-I21 VanDerWaalsContact C-N 3.34Å; K19-I21 PolarHBondContact O-N 2.93Å; I21-R23 HydrophobicContact CG2-CB 3.79Å; I21-R23 VanDerWaalsContact CG2-CD 3.41Å; I21-R23 HydrophobicContact CG2-CG 3.27Å; I21-R23 PolarHBondContact O-N 3.06Å; I21-R28 PolarHBondContact O-NH2 2.71Å; I21-R28 VanDerWaalsContact O-NH2 3.16Å | ||
| 22 | F | 48.6 | Very low | 53.5 | Low | 219 Ų | 219 | 107.1 Ų | 107.1 | 96% | 0.961 | 55% | 0.552 | S | S | * | * | trans | -67.3 | 51.9 | 167.5 | -82.1 | -88.5 | 0 | 0 | 0 | 111.1 | ||||
| 23 | R | 51.6 | Low | 54.3 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | trans | -84 | 139.6 | 172.8 | -82.2 | 179.2 | -172.3 | -157 | 5 | 110 | I21 Q27 | I21-R23 HydrophobicContact CG2-CB 3.79Å; I21-R23 VanDerWaalsContact CG2-CD 3.41Å; I21-R23 HydrophobicContact CG2-CG 3.27Å; I21-R23 PolarHBondContact O-N 3.06Å; R23-Q27 HydrophobicContact CB-CB 4.31Å; R23-Q27 VanDerWaalsContact CB-OE1 3.31Å | ||
| 24 | S | 60.5 | Low | 54.9 | Low | 68 Ų | 68 | 105.9 Ų | 105.9 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | trans | -56 | 150.7 | -179.5 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | K26 Q27 R28 | S24-K26 PolarHBondContact O-N 2.69Å; S24-Q27 PolarHBondContact O-N 2.99Å; S24-R28 PolarHBondContact O-N 3.1Å | ||
| 25 | T | 60.6 | Low | 55.1 | Low | 126 Ų | 126 | 100 Ų | 100 | 77% | 0.773 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -50.8 | -32.4 | -179.5 | -36.4 | 0 | 0 | 0 | 0 | 112.4 | R28 S29 | T25-R28 PolarHBondContact O-N 2.69Å; T25-S29 PolarHBondContact O-N 2.66Å; T25-S29 VanDerWaalsContact O-N 3.15Å |
| 26 | K | 59.8 | Low | 55 | Low | 143 Ų | 143 | 98.9 Ų | 98.9 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -48.5 | 176.8 | -172.1 | 179 | 177.5 | -175.8 | 0 | 112.7 | S24 R28 S29 E30 | S24-K26 PolarHBondContact O-N 2.69Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.62Å; K26-S29 PolarHBondContact O-N 2.82Å; K26-S29 PolarHBondContact O-OG 2.69Å; K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.1Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.59Å |
| 27 | Q | 58 | Low | 54.9 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | -179.6 | -72.7 | -179.9 | -16.7 | 0 | 0 | 112.3 | R23 S24 E30 Y31 | R23-Q27 HydrophobicContact CB-CB 4.31Å; R23-Q27 VanDerWaalsContact CB-OE1 3.31Å; S24-Q27 PolarHBondContact O-N 2.99Å; Q27-E30 PolarHBondContact O-N 3.09Å; Q27-Y31 WeakPolarHBondContact O-CB 3.48Å; Q27-Y31 PolarHBondContact O-N 2.63Å |
| 28 | R | 55.5 | Low | 54.8 | Low | 100 Ų | 100 | 98.6 Ų | 98.6 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 174.6 | -68.9 | -175 | 179.9 | 175.7 | 0.4 | 112 | F18 I21 S24 T25 K26 S32 | F18-R28 HydrophobicContact CD2-CG 4.01Å; F18-R28 HydrophobicContact CE2-CB 4.19Å; F18-R28 HydrophobicContact CE2-CG 3.88Å; F18-R28 HydrophobicContact CG-CG 4.41Å; F18-R28 HydrophobicContact CZ-CB 4.45Å; F18-R28 HydrophobicContact CZ-CG 4.16Å; I21-R28 PolarHBondContact O-NH2 2.71Å; I21-R28 VanDerWaalsContact O-NH2 3.16Å; S24-R28 PolarHBondContact O-N 3.1Å; T25-R28 PolarHBondContact O-N 2.69Å; K26-R28 VanDerWaalsContact C-N 3.3Å; K26-R28 PolarHBondContact O-N 2.62Å; R28-S32 WeakPolarHBondContact O-CB 3.47Å; R28-S32 PolarHBondContact O-N 3.23Å; R28-S32 PolarHBondContact O-OG 3.38Å |
| 29 | S | 56.1 | Low | 54.4 | Low | 65 Ų | 65 | 98.9 Ų | 98.9 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69 | -41.6 | 176.5 | 80.7 | 0 | 0 | 0 | 0 | 111.2 | T25 K26 S32 M33 | T25-S29 PolarHBondContact O-N 2.66Å; T25-S29 VanDerWaalsContact O-N 3.15Å; K26-S29 PolarHBondContact O-N 2.82Å; K26-S29 PolarHBondContact O-OG 2.69Å; S29-S32 PolarHBondContact O-N 3.29Å; S29-M33 WeakPolarHBondContact O-CB 3.5Å; S29-M33 WeakPolarHBondContact O-CG 3.5Å; S29-M33 PolarHBondContact O-N 2.74Å |
| 30 | E | 61.2 | Low | 54.4 | Low | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -48 | 175.4 | -73.4 | 170.6 | -176 | 0 | 0 | 111.6 | K26 Q27 S32 M33 A34 | K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.1Å; K26-E30 WeakPolarHBondContact O-CG 3.35Å; K26-E30 PolarHBondContact O-N 2.59Å; Q27-E30 PolarHBondContact O-N 3.09Å; E30-S32 PolarHBondContact O-N 3.26Å; E30-M33 PolarHBondContact O-N 2.75Å; E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.6Å |
| 31 | Y | 61.5 | Low | 54.1 | Low | 139 Ų | 139 | 97 Ų | 97 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177 | -171.5 | -89 | 0 | 0 | 0 | 112.2 | P16 F18 Q27 M33 A34 A35 | P16-Y31 HydrophobicContact CG-CD1 4.37Å; P16-Y31 HydrophobicContact CG-CE1 4.25Å; F18-Y31 HydrophobicContact CE1-CD1 4.44Å; F18-Y31 HydrophobicContact CZ-CD1 4.05Å; F18-Y31 HydrophobicContact CZ-CG 4.43Å; Q27-Y31 WeakPolarHBondContact O-CB 3.48Å; Q27-Y31 PolarHBondContact O-N 2.63Å; Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 3.11Å; Y31-A34 PolarHBondContact O-N 3.14Å; Y31-A35 WeakPolarHBondContact O-CB 3.24Å; Y31-A35 PolarHBondContact O-N 3.46Å |
| 32 | S | 56.1 | Low | 53.8 | Low | 36 Ų | 36 | 100.4 Ų | 100.4 | 25% | 0.252 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -41 | 178.1 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | R28 S29 E30 I36 | R28-S32 WeakPolarHBondContact O-CB 3.47Å; R28-S32 PolarHBondContact O-N 3.23Å; R28-S32 PolarHBondContact O-OG 3.38Å; S29-S32 PolarHBondContact O-N 3.29Å; E30-S32 PolarHBondContact O-N 3.26Å; S32-I36 WeakPolarHBondContact O-CB 2.91Å; S32-I36 WeakPolarHBondContact O-CD1 3.22Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.44Å |
| 33 | M | 58.9 | Low | 53.2 | Low | 111 Ų | 111 | 98.5 Ų | 98.5 | 55% | 0.547 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -42 | 175.8 | -74.1 | -58.8 | -57.6 | 0 | 0 | 112.2 | S29 E30 Y31 I36 V37 | S29-M33 WeakPolarHBondContact O-CB 3.5Å; S29-M33 WeakPolarHBondContact O-CG 3.5Å; S29-M33 PolarHBondContact O-N 2.74Å; E30-M33 PolarHBondContact O-N 2.75Å; Y31-M33 VanDerWaalsContact C-N 3.3Å; Y31-M33 PolarHBondContact O-N 3.11Å; M33-I36 PolarHBondContact O-N 3.39Å; M33-V37 WeakPolarHBondContact O-CB 3.01Å; M33-V37 VanDerWaalsContact O-CG2 3.24Å; M33-V37 WeakPolarHBondContact O-CG2 3.49Å; M33-V37 PolarHBondContact O-N 3.1Å |
| 34 | A | 55.4 | Low | 52.7 | Low | 52 Ų | 52 | 98.8 Ų | 98.8 | 43% | 0.43 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -48.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E30 Y31 I36 V37 T38 | E30-A34 WeakPolarHBondContact O-CB 3.44Å; E30-A34 PolarHBondContact O-N 2.6Å; Y31-A34 PolarHBondContact O-N 3.14Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.25Å; A34-V37 PolarHBondContact O-N 3.27Å; A34-V37 VanDerWaalsContact O-N 3.11Å; A34-T38 PolarHBondContact O-N 3.15Å; A34-T38 PolarHBondContact O-OG1 2.96Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å |
| 35 | A | 52.3 | Low | 51.5 | Low | 47 Ų | 47 | 103.2 Ų | 103.2 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y31 T38 A39 | Y31-A35 WeakPolarHBondContact O-CB 3.24Å; Y31-A35 PolarHBondContact O-N 3.46Å; A35-T38 PolarHBondContact O-N 3.34Å; A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 2.8Å |
| 36 | I | 50.5 | Low | 50.4 | Low | 79 Ų | 79 | 102.2 Ų | 102.2 | 41% | 0.405 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.7 | -71.3 | 167.5 | 0 | 0 | 0 | 110.7 | S32 M33 A34 A39 F40 | S32-I36 WeakPolarHBondContact O-CB 2.91Å; S32-I36 WeakPolarHBondContact O-CD1 3.22Å; S32-I36 WeakPolarHBondContact O-CG1 3.45Å; S32-I36 PolarHBondContact O-N 3.44Å; M33-I36 PolarHBondContact O-N 3.39Å; A34-I36 VanDerWaalsContact C-N 3.32Å; A34-I36 PolarHBondContact O-N 3.25Å; I36-A39 PolarHBondContact O-N 3.23Å; I36-F40 HydrophobicContact CG2-CD2 3.52Å; I36-F40 HydrophobicContact CG2-CE2 3.39Å; I36-F40 WeakPolarHBondContact O-CB 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 3.45Å; I36-F40 WeakPolarHBondContact O-CG 3.33Å; I36-F40 PolarHBondContact O-N 3.35Å |
| 37 | V | 52.9 | Low | 49.5 | Very low | 80 Ų | 80 | 103.5 Ų | 103.5 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.2 | -41.7 | 179.6 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | M33 A34 F40 G41 | M33-V37 WeakPolarHBondContact O-CB 3.01Å; M33-V37 VanDerWaalsContact O-CG2 3.24Å; M33-V37 WeakPolarHBondContact O-CG2 3.49Å; M33-V37 PolarHBondContact O-N 3.1Å; A34-V37 PolarHBondContact O-N 3.27Å; A34-V37 VanDerWaalsContact O-N 3.11Å; V37-F40 CarbonylContact O-C 3.57Å; V37-F40 PolarHBondContact O-N 3.03Å; V37-G41 WeakPolarHBondContact O-CA 3.45Å; V37-G41 PolarHBondContact O-N 2.93Å |
| 38 | T | 52.9 | Low | 48.5 | Very low | 76 Ų | 76 | 103.8 Ų | 103.8 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.2 | -46.6 | 176.4 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | A34 A35 F40 G41 E42 | A34-T38 PolarHBondContact O-N 3.15Å; A34-T38 PolarHBondContact O-OG1 2.96Å; A34-T38 VanDerWaalsContact O-OG1 3.08Å; A35-T38 PolarHBondContact O-N 3.34Å; T38-F40 PolarHBondContact O-N 3.47Å; T38-G41 PolarHBondContact O-N 3.02Å; T38-E42 PolarHBondContact O-N 3.12Å; T38-E42 VanDerWaalsContact O-N 3.11Å |
| 39 | A | 46.5 | Very low | 47.8 | Very low | 68 Ų | 68 | 104.7 Ų | 104.7 | 56% | 0.562 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.9 | -34.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A35 I36 | A35-A39 VanDerWaalsContact O-CB 3.27Å; A35-A39 WeakPolarHBondContact O-CB 3.47Å; A35-A39 PolarHBondContact O-N 2.8Å; I36-A39 PolarHBondContact O-N 3.23Å |
| 40 | F | 48.5 | Very low | 46.9 | Very low | 155 Ų | 155 | 111.3 Ų | 111.3 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -84.8 | -18.6 | 174.2 | -71.8 | -54.9 | 0 | 0 | 0 | 114.2 | I36 V37 T38 | I36-F40 HydrophobicContact CG2-CD2 3.52Å; I36-F40 HydrophobicContact CG2-CE2 3.39Å; I36-F40 WeakPolarHBondContact O-CB 3.27Å; I36-F40 WeakPolarHBondContact O-CD2 3.45Å; I36-F40 WeakPolarHBondContact O-CG 3.33Å; I36-F40 PolarHBondContact O-N 3.35Å; V37-F40 CarbonylContact O-C 3.57Å; V37-F40 PolarHBondContact O-N 3.03Å; T38-F40 PolarHBondContact O-N 3.47Å |
| 41 | G | 44.1 | Very low | 45.8 | Very low | 58 Ų | 58 | 112.2 Ų | 112.2 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -83 | -35.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | V37 T38 F43 | V37-G41 WeakPolarHBondContact O-CA 3.45Å; V37-G41 PolarHBondContact O-N 2.93Å; T38-G41 PolarHBondContact O-N 3.02Å; G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 3.02Å |
| 42 | E | 37.4 | Very low | 45 | Very low | 151 Ų | 151 | 110.9 Ų | 110.9 | 71% | 0.706 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -76.8 | -11.1 | -177 | -73.9 | -174.8 | 161.5 | 0 | 0 | 114.4 | T38 | T38-E42 PolarHBondContact O-N 3.12Å; T38-E42 VanDerWaalsContact O-N 3.11Å |
| 43 | F | 37.2 | Very low | 44.5 | Very low | 179 Ų | 179 | 114.8 Ų | 114.8 | 79% | 0.785 | 64% | 0.643 | S | S | * | * | trans | -121 | 57.1 | -171.7 | -89.5 | -85.4 | 0 | 0 | 0 | 114.9 | G41 | G41-F43 VanDerWaalsContact C-N 3.3Å; G41-F43 PolarHBondContact O-N 3.02Å | ||
| 44 | K | 40.1 | Very low | 43.7 | Very low | 153 Ų | 153 | 115.9 Ų | 115.9 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | trans | -134.5 | 65.5 | 161.3 | -70 | -169.9 | -179.5 | -177.9 | 0 | 111.7 | P46 | K44-P46 WeakPolarHBondContact O-CD 3.49Š| ||
| 45 | L | 35.3 | Very low | 43.2 | Very low | 162 Ų | 162 | 122.6 Ų | 122.6 | 85% | 0.848 | 68% | 0.675 | S | S | * | * | trans | -65.4 | 122.5 | 153.1 | -72.1 | 171.4 | 0 | 0 | 0 | 106.9 | I47 | L45-I47 PolarHBondContact O-N 3.41Å; L45-I47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | P | 38.7 | Very low | 42.9 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | trans | -59.3 | 120.7 | 180 | 22.5 | -30.5 | 0 | 0 | 0 | 108.4 | K44 T48 | K44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-T48 PolarHBondContact O-N 3.38Å | ||
| 47 | I | 40 | Very low | 42.6 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 88% | 0.877 | 71% | 0.709 | S | S | * | * | trans | -64.7 | 91.1 | 169.8 | -58.2 | 170.6 | 0 | 0 | 0 | 105.9 | L45 S49 | L45-I47 PolarHBondContact O-N 3.41Å; L45-I47 VanDerWaalsContact O-N 3.09Å; I47-S49 PolarHBondContact O-N 3.44Å | ||
| 48 | T | 38.1 | Very low | 42.1 | Very low | 91 Ų | 91 | 133.6 Ų | 133.6 | 56% | 0.558 | 72% | 0.724 | S | S | * | * | trans | -72.2 | 115.5 | 169.5 | 54.4 | 0 | 0 | 0 | 0 | 106.8 | P46 R50 | P46-T48 PolarHBondContact O-N 3.38Å; T48-R50 PolarHBondContact O-N 3.26Å | ||
| 49 | S | 40.9 | Very low | 41.6 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -65.6 | 4.4 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | I47 | I47-S49 PolarHBondContact O-N 3.44Š|
| 50 | R | 35.6 | Very low | 41 | Very low | 205 Ų | 205 | 135.1 Ų | 135.1 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -95.4 | 125.7 | 173.3 | -63.6 | -174.4 | -179.8 | -173.4 | -0.7 | 107.6 | T48 V52 | T48-R50 PolarHBondContact O-N 3.26Å; R50-V52 PolarHBondContact O-N 2.64Å; R50-V52 VanDerWaalsContact O-N 3.1Å |
| 51 | P | 40.1 | Very low | 40.8 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 79% | 0.786 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 122.8 | 172.8 | 21.7 | -30.1 | 0 | 0 | 0 | 108.2 | P53 | P51-P53 WeakPolarHBondContact O-CD 3.39Š|
| 52 | V | 44.6 | Very low | 40.6 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 67% | 0.667 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 122.5 | 170.5 | 177.7 | 0 | 0 | 0 | 0 | 105.8 | R50 V54 | R50-V52 PolarHBondContact O-N 2.64Å; R50-V52 VanDerWaalsContact O-N 3.1Å; V52-V54 PolarHBondContact O-N 3.41Å |
| 53 | P | 43.9 | Very low | 40.5 | Very low | 118 Ų | 118 | 140.6 Ų | 140.6 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | trans | -60.7 | 107.9 | 178.6 | 22.7 | -30.6 | 0 | 0 | 0 | 107.8 | P51 K55 | P51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-K55 PolarHBondContact O-N 3.38Å; P53-K55 VanDerWaalsContact O-N 3.12Å | ||
| 54 | V | 42.8 | Very low | 40.5 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -61.2 | 117.6 | 172.3 | -174.2 | 0 | 0 | 0 | 0 | 105.1 | V52 S56 | V52-V54 PolarHBondContact O-N 3.41Å; V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å | ||
| 55 | K | 44.4 | Very low | 40.4 | Very low | 193 Ų | 193 | 142.7 Ų | 142.7 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | -55.5 | 104.6 | 171.1 | -78.6 | -177.4 | 176.5 | -179.8 | 0 | 107 | P53 N57 | P53-K55 PolarHBondContact O-N 3.38Å; P53-K55 VanDerWaalsContact O-N 3.12Å; K55-N57 PolarHBondContact O-N 3.02Å | ||
| 56 | S | 45.9 | Very low | 40.6 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -57.6 | 108.8 | 167.6 | 139.7 | 0 | 0 | 0 | 0 | 106.4 | V54 K58 | V54-S56 VanDerWaalsContact C-N 3.34Å; V54-S56 PolarHBondContact O-N 2.93Å; S56-K58 PolarHBondContact O-N 3.28Å; S56-K58 VanDerWaalsContact O-N 3.08Å; S56-K58 PolarHBondContact OG-N 3.35Å | ||
| 57 | N | 45.4 | Very low | 40.2 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -74.9 | 15.8 | 173.9 | -130.2 | 12.9 | 0 | 0 | 0 | 112 | K55 A59 | K55-N57 PolarHBondContact O-N 3.02Å; N57-A59 PolarHBondContact O-N 3.49Å | ||
| 58 | K | 41.2 | Very low | 40 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | -73.1 | 88.6 | 164.9 | -65 | -168.6 | 177.2 | -174.6 | 0 | 107 | S56 S60 | S56-K58 PolarHBondContact O-N 3.28Å; S56-K58 VanDerWaalsContact O-N 3.08Å; S56-K58 PolarHBondContact OG-N 3.35Å; K58-S60 VanDerWaalsContact C-N 3.28Å; K58-S60 PolarHBondContact O-N 3.22Å | ||
| 59 | A | 42 | Very low | 39.6 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -46.2 | 99.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | N57 P61 | N57-A59 PolarHBondContact O-N 3.49Å; A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.16Å | ||
| 60 | S | 34.7 | Very low | 39.2 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | trans | -71.1 | 115.5 | 169.1 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | K58 W62 | K58-S60 VanDerWaalsContact C-N 3.28Å; K58-S60 PolarHBondContact O-N 3.22Å; S60-W62 PolarHBondContact O-N 2.79Å | ||
| 61 | P | 44.8 | Very low | 38.9 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -71.9 | 5.4 | -172.8 | 27.5 | -32.4 | 0 | 0 | 0 | 113.8 | A59 L63 | A59-P61 VanDerWaalsContact O-CD 3.28Å; A59-P61 WeakPolarHBondContact O-CD 3.16Å; P61-L63 PolarHBondContact O-N 2.55Å |
| 62 | W | 38.5 | Very low | 38.5 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -82.7 | -5.7 | -175.4 | -79 | 79.3 | 0 | 0 | 0 | 115.3 | S60 | S60-W62 PolarHBondContact O-N 2.79Š|
| 63 | L | 36.2 | Very low | 37.9 | Very low | 154 Ų | 154 | 152.5 Ų | 152.5 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -105.6 | 15.9 | 179.5 | -70 | 175.2 | 0 | 0 | 0 | 114.8 | P61 F65 | P61-L63 PolarHBondContact O-N 2.55Å; L63-F65 PolarHBondContact O-N 3.08Å |
| 64 | Q | 37.4 | Very low | 37.2 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -3.1 | 166.9 | -91.3 | -174.2 | -11.3 | 0 | 0 | 114.1 | ||
| 65 | F | 38 | Very low | 36.7 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 5.9 | -172 | -107.1 | -79.8 | 0 | 0 | 0 | 117.7 | L63 | L63-F65 PolarHBondContact O-N 3.08Š|
| 66 | V | 38.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -120.9 | 2.5 | -173.3 | -171.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 67 | L | 30.5 | Very low | 35.2 | Very low | 174 Ų | 174 | 159.9 Ų | 159.9 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -122.9 | 26.6 | -175.5 | -75.7 | 166.8 | 0 | 0 | 0 | 116.5 | ||
| 68 | S | 36.1 | Very low | 34.4 | Very low | 129 Ų | 129 | 157.3 Ų | 157.3 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -110 | 18.8 | 171.2 | -150.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 69 | S | 29.5 | Very low | 33.9 | Very low | 94 Ų | 94 | 155.6 Ų | 155.6 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -127.8 | 134 | 169.9 | 69 | 0 | 0 | 0 | 0 | 110.6 | ||
| 70 | R | 32.6 | Very low | 33.3 | Very low | 235 Ų | 235 | 156.4 Ų | 156.4 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | 88.6 | 49.7 | 179.4 | -47.8 | -173.2 | -171.7 | -156.7 | 1.1 | 116.2 | R72 | R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 2.83Å; R70-R72 VanDerWaalsContact O-N 3.13Å | ||
| 71 | L | 30.3 | Very low | 33.2 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | -50.4 | 103.6 | 126.9 | -93 | 151.7 | 0 | 0 | 0 | 108.3 | |||||
| 72 | R | 31.3 | Very low | 32.6 | Very low | 244 Ų | 244 | 159.9 Ų | 159.9 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | 149.1 | 88.5 | 156.6 | -84.5 | 171 | -159.9 | -152.8 | 6.3 | 109.3 | R70 | R70-R72 VanDerWaalsContact C-N 3.34Å; R70-R72 PolarHBondContact O-N 2.83Å; R70-R72 VanDerWaalsContact O-N 3.13Å | ||
| 73 | S | 32 | Very low | 32.2 | Very low | 123 Ų | 123 | 159.2 Ų | 159.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | -162.5 | 113.1 | 129.8 | -163.7 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 74 | R | 29 | Very low | 31.9 | Very low | 223 Ų | 223 | 160.1 Ų | 160.1 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -67.9 | 160 | 167.8 | -74.3 | 178.3 | 157.9 | -173.5 | -5.5 | 108.8 | ||||
| 75 | Q | 31.5 | Very low | 31.6 | Very low | 176 Ų | 176 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 96.7 | 132.1 | 161.7 | -60.8 | 170.9 | -8.1 | 0 | 0 | 116 | ||||
| 76 | D | 29 | Very low | 31 | Very low | 146 Ų | 146 | 153.5 Ų | 153.5 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | trans | 81.4 | 72.3 | 174.1 | -52.2 | -22.7 | 0 | 0 | 0 | 117.7 | C78 | D76-C78 PolarHBondContact O-N 3.11Š| ||
| 77 | V | 29.6 | Very low | 30.4 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -63.7 | 78.1 | 154.4 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | I79 | V77-I79 HydrophobicContact CG1-CG1 4.41Š| ||
| 78 | C | 29.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -88.1 | 100.9 | 160.4 | -71.3 | 0 | 0 | 0 | 0 | 108 | D76 | D76-C78 PolarHBondContact O-N 3.11Š| ||
| 79 | I | 29.8 | Very low | 29.6 | Very low | 145 Ų | 145 | 155.5 Ų | 155.5 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | trans | -49.8 | 128.3 | 171.6 | -63.4 | 167.5 | 0 | 0 | 0 | 108.5 | V77 S81 | V77-I79 HydrophobicContact CG1-CG1 4.41Å; I79-S81 PolarHBondContact O-N 3.37Å | ||
| 80 | P | 29.5 | Very low | 29.5 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -65.2 | 111.1 | -175.3 | 24.6 | -31.9 | 0 | 0 | 0 | 109.8 | I82 | P80-I82 PolarHBondContact O-N 3.12Š| ||
| 81 | S | 32.8 | Very low | 29.1 | Very low | 93 Ų | 93 | 148.4 Ų | 148.4 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -55.3 | 103.4 | 166.5 | 178.8 | 0 | 0 | 0 | 0 | 108.6 | I79 R83 | I79-S81 PolarHBondContact O-N 3.37Å; S81-R83 PolarHBondContact O-N 3.25Å | ||
| 82 | I | 32.5 | Very low | 28.9 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 86% | 0.862 | 78% | 0.779 | S | S | * | * | trans | -68 | 81 | 171.5 | -57.9 | 170.6 | 0 | 0 | 0 | 107 | P80 | P80-I82 PolarHBondContact O-N 3.12Š| ||
| 83 | R | 29.5 | Very low | 28.5 | Very low | 207 Ų | 207 | 144 Ų | 144 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -145.4 | 86.9 | 177.2 | -73.2 | -165.8 | 179.5 | -179.1 | 1.8 | 110.8 | S81 | S81-R83 PolarHBondContact O-N 3.25Š| ||
| 84 | Q | 31.4 | Very low | 28.1 | Very low | 173 Ų | 173 | 148 Ų | 148 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 153.6 | 111.5 | 108.6 | -87.9 | 174.1 | -12.8 | 0 | 0 | 107.6 | C86 | Q84-C86 PolarHBondContact O-N 3.4Š| |||
| 85 | P | 29.9 | Very low | 27.9 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -60.7 | 119.6 | 169.3 | 25.7 | -29.7 | 0 | 0 | 0 | 106.6 | L87 | P85-L87 PolarHBondContact O-N 3.06Š| ||
| 86 | C | 25.9 | Very low | 27.5 | Very low | 114 Ų | 114 | 142 Ų | 142 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | -31.6 | 110.2 | 168.5 | -2 | 0 | 0 | 0 | 0 | 107.8 | Q84 V88 | Q84-C86 PolarHBondContact O-N 3.4Å; C86-V88 PolarHBondContact O-N 2.9Å | ||
| 87 | L | 26.5 | Very low | 27.4 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | trans | -50.1 | 96.7 | 165.6 | -87.2 | 154.7 | 0 | 0 | 0 | 104.7 | P85 Q89 | P85-L87 PolarHBondContact O-N 3.06Å; L87-Q89 PolarHBondContact O-N 3.5Å | ||
| 88 | V | 25.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 79% | 0.788 | 74% | 0.74 | S | S | * | * | trans | -64.1 | 82.4 | 152.6 | -176.3 | 0 | 0 | 0 | 0 | 101.3 | C86 A90 | C86-V88 PolarHBondContact O-N 2.9Å; V88-A90 PolarHBondContact O-N 3.35Å | ||
| 89 | Q | 24.8 | Very low | 27.1 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | -60.6 | 79.1 | 162.1 | -165.1 | 176.5 | 8.6 | 0 | 0 | 101.1 | L87 T91 | L87-Q89 PolarHBondContact O-N 3.5Å; Q89-T91 PolarHBondContact O-N 3.05Å | ||
| 90 | A | 27.1 | Very low | 27.1 | Very low | 54 Ų | 54 | 141.3 Ų | 141.3 | 45% | 0.446 | 74% | 0.743 | S | S | . | * | trans | -50.7 | 104.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 100.2 | V88 F92 | V88-A90 PolarHBondContact O-N 3.35Å; A90-F92 HydrophobicContact CB-CD2 4.09Å; A90-F92 HydrophobicContact CB-CE2 4.14Å; A90-F92 WeakPolarHBondContact O-CD2 3.45Å; A90-F92 PolarHBondContact O-N 3.45Å | ||
| 91 | T | 23.7 | Very low | 27.2 | Very low | 126 Ų | 126 | 137.3 Ų | 137.3 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -54.4 | 78.3 | 153.5 | 39.9 | 0 | 0 | 0 | 0 | 102.8 | Q89 Q93 | Q89-T91 PolarHBondContact O-N 3.05Å; T91-Q93 PolarHBondContact O-N 3.28Å | ||
| 92 | F | 25.4 | Very low | 27.3 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -45.6 | 82.8 | 131.5 | -73.8 | -86.7 | 0 | 0 | 0 | 101.6 | A90 R94 | A90-F92 HydrophobicContact CB-CD2 4.09Å; A90-F92 HydrophobicContact CB-CE2 4.14Å; A90-F92 WeakPolarHBondContact O-CD2 3.45Å; A90-F92 PolarHBondContact O-N 3.45Å; F92-R94 PolarHBondContact O-N 3.46Å | ||
| 93 | Q | 23.1 | Very low | 27.6 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | trans | -32.1 | 104.8 | 136.8 | -85.4 | 176 | -14.9 | 0 | 0 | 101.4 | T91 V95 | T91-Q93 PolarHBondContact O-N 3.28Å; Q93-V95 HydrophobicContact CB-CG2 4.34Å; Q93-V95 PolarHBondContact O-N 3.38Å | ||
| 94 | R | 23.3 | Very low | 28 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -44.3 | 84.4 | 148.8 | -71.1 | 169.9 | 173.1 | 174.2 | -3.2 | 101.1 | F92 F96 | F92-R94 PolarHBondContact O-N 3.46Å; R94-F96 HydrophobicContact CB-CD2 4.2Å; R94-F96 HydrophobicContact CB-CE2 4.13Å; R94-F96 WeakPolarHBondContact O-CD2 3.44Å; R94-F96 PolarHBondContact O-N 3.49Å | ||
| 95 | V | 26.2 | Very low | 28.3 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 65% | 0.648 | 66% | 0.661 | S | S | * | * | trans | -63.9 | 93.2 | 165 | 171.1 | 0 | 0 | 0 | 0 | 96.3 | Q93 L97 | Q93-V95 HydrophobicContact CB-CG2 4.34Å; Q93-V95 PolarHBondContact O-N 3.38Å; V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.3Å | ||
| 96 | F | 22.5 | Very low | 28.6 | Very low | 165 Ų | 165 | 121 Ų | 121 | 72% | 0.724 | 64% | 0.64 | S | S | * | * | trans | -55.2 | 76.5 | 162.2 | -76.7 | -91.8 | 0 | 0 | 0 | 102.6 | R94 K98 | R94-F96 HydrophobicContact CB-CD2 4.2Å; R94-F96 HydrophobicContact CB-CE2 4.13Å; R94-F96 WeakPolarHBondContact O-CD2 3.44Å; R94-F96 PolarHBondContact O-N 3.49Å; F96-K98 HydrophobicContact CB-CG 4.48Å; F96-K98 PolarHBondContact O-N 2.87Å | ||
| 97 | L | 28 | Very low | 29.1 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | trans | -55.3 | 77.1 | 137.1 | -85.8 | 149.1 | 0 | 0 | 0 | 102 | V95 D99 | V95-L97 HydrophobicContact CG1-CG 4.39Å; V95-L97 PolarHBondContact O-N 3.3Å; L97-D99 PolarHBondContact O-N 3.17Å | ||
| 98 | K | 24.4 | Very low | 29.6 | Very low | 171 Ų | 171 | 121.6 Ų | 121.6 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | trans | -39.7 | 131.9 | 165.6 | -78.2 | -180 | 171 | -177.4 | 0 | 104.1 | F96 A100 | F96-K98 HydrophobicContact CB-CG 4.48Å; F96-K98 PolarHBondContact O-N 2.87Å; K98-A100 PolarHBondContact O-N 3.29Å | ||
| 99 | D | 28.6 | Very low | 30 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -51.9 | 10.9 | -170 | -64.1 | -64.5 | 0 | 0 | 0 | 116.4 | L97 A101 | L97-D99 PolarHBondContact O-N 3.17Å; D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.28Å; D99-A101 VanDerWaalsContact O-N 3.14Å |
| 100 | A | 28.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 120.4 Ų | 120.4 | 79% | 0.793 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 1.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K98 | K98-A100 PolarHBondContact O-N 3.29Š|
| 101 | A | 31.6 | Very low | 30.7 | Very low | 26 Ų | 26 | 121.8 Ų | 121.8 | 22% | 0.215 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -154 | 20.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | D99 N103 | D99-A101 VanDerWaalsContact C-N 3.29Å; D99-A101 PolarHBondContact O-N 3.28Å; D99-A101 VanDerWaalsContact O-N 3.14Å; A101-N103 VanDerWaalsContact C-N 3.31Å; A101-N103 PolarHBondContact O-N 3.12Å |
| 102 | I | 34.8 | Very low | 31.4 | Very low | 83 Ų | 83 | 121 Ų | 121 | 43% | 0.426 | 61% | 0.613 | S | S | . | * | trans | -85.3 | 75.2 | 178.6 | -52.4 | 169.2 | 0 | 0 | 0 | 109.7 | N104 V105 W121 | I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.47Å; I102-N104 VanDerWaalsContact O-N 3.12Å; I102-V105 HydrophobicContact CG2-CG2 3.97Å; I102-W121 HydrophobicContact CD1-CZ3 3.95Å; I102-W121 HydrophobicContact CG1-CE3 4.39Å; I102-W121 HydrophobicContact CG1-CZ3 4.03Å; I102-W121 HydrophobicContact CG2-CE3 4.21Å; I102-W121 HydrophobicContact CG2-CZ3 3.9Å | ||
| 103 | N | 38.6 | Very low | 32 | Very low | 77 Ų | 77 | 120.6 Ų | 120.6 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | trans | -87.5 | 58.4 | -179.8 | -77.4 | -37.8 | 0 | 0 | 0 | 112.5 | A101 | A101-N103 VanDerWaalsContact C-N 3.31Å; A101-N103 PolarHBondContact O-N 3.12Å | ||
| 104 | N | 37.4 | Very low | 32.5 | Very low | 128 Ų | 128 | 117 Ų | 117 | 68% | 0.684 | 60% | 0.604 | S | S | * | * | trans | 99.9 | 121.1 | 174.7 | -49.3 | -27.7 | 0 | 0 | 0 | 115.4 | I102 | I102-N104 VanDerWaalsContact C-N 3.29Å; I102-N104 PolarHBondContact O-N 3.47Å; I102-N104 VanDerWaalsContact O-N 3.12Å | ||
| 105 | V | 38.3 | Very low | 32.9 | Very low | 58 Ų | 58 | 114.3 Ų | 114.3 | 35% | 0.352 | 60% | 0.598 | S | S | . | * | trans | -95.3 | 102.7 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | I102 R107 R119 W121 | I102-V105 HydrophobicContact CG2-CG2 3.97Å; V105-R107 HydrophobicContact CG1-CG 4.45Å; V105-R119 HydrophobicContact CG1-CB 4.37Å; V105-R119 HydrophobicContact CG1-CG 4.01Å; V105-W121 HydrophobicContact CG2-CZ3 4.32Å | ||
| 106 | E | 35.7 | Very low | 33.4 | Very low | 75 Ų | 75 | 111.9 Ų | 111.9 | 35% | 0.35 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 121 | 169.1 | -69.2 | 172.7 | 165.9 | 0 | 0 | 109 | F108 R122 | E106-F108 HydrophobicContact CB-CD2 4.2Å; E106-F108 HydrophobicContact CB-CE2 3.38Å; E106-F108 HydrophobicContact CB-CZ 3.74Å; E106-F108 HydrophobicContact CG-CE2 4.35Å; E106-F108 HydrophobicContact CG-CZ 4.31Å; E106-R122 IonicContact OE1-NH2 2.89Å; E106-R122 IonicContact OE2-CZ 3.51Å; E106-R122 IonicContact OE2-NH2 3.87Å; E106-R122 PolarHBondContact OE2-NH2 3.44Å |
| 107 | R | 36.5 | Very low | 34 | Very low | 175 Ų | 175 | 106.1 Ų | 106.1 | 66% | 0.66 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.5 | 172 | -66.7 | -177.2 | -173.8 | 177.1 | 3.2 | 108.3 | V105 | V105-R107 HydrophobicContact CG1-CG 4.45Å |
| 108 | F | 38.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 100.8 Ų | 100.8 | 50% | 0.5 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.1 | 171.3 | -60.6 | -81.4 | 0 | 0 | 0 | 109.6 | E106 C110 G118 | E106-F108 HydrophobicContact CB-CD2 4.2Å; E106-F108 HydrophobicContact CB-CE2 3.38Å; E106-F108 HydrophobicContact CB-CZ 3.74Å; E106-F108 HydrophobicContact CG-CE2 4.35Å; E106-F108 HydrophobicContact CG-CZ 4.31Å; F108-C110 PolarHBondContact O-N 3.22Å; F108-G118 PolarHBondContact O-N 3.23Å |
| 109 | K | 33.8 | Very low | 35.1 | Very low | 203 Ų | 203 | 96.8 Ų | 96.8 | 88% | 0.883 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 109.6 | 170 | -73.3 | -175.1 | 178.2 | -178.3 | 0 | 108.1 | S111 | K109-S111 PolarHBondContact O-N 2.83Å |
| 110 | C | 34.3 | Very low | 35.7 | Very low | 70 Ų | 70 | 91.7 Ų | 91.7 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | trans | -92.4 | 96.4 | 176.8 | -70 | 0 | 0 | 0 | 0 | 110.5 | F108 K116 | F108-C110 PolarHBondContact O-N 3.22Å; C110-K116 HydrophobicContact CB-CB 4.29Å; C110-K116 PolarHBondContact N-O 3.04Å | ||
| 111 | S | 31.3 | Very low | 36.2 | Very low | 82 Ų | 82 | 91.6 Ų | 91.6 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | trans | 57 | 142.1 | 176.8 | 82 | 0 | 0 | 0 | 0 | 116.8 | K109 L113 L114 | K109-S111 PolarHBondContact O-N 2.83Å; S111-L113 PolarHBondContact O-N 3.26Å; S111-L114 CarbonylContact O-C 3.6Å; S111-L114 PolarHBondContact O-N 2.9Å | ||
| 112 | S | 38.5 | Very low | 36.5 | Very low | 110 Ų | 110 | 96.7 Ų | 96.7 | 77% | 0.769 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18 | -175 | 46.5 | 0 | 0 | 0 | 0 | 114.8 | ||
| 113 | L | 37.9 | Very low | 36.8 | Very low | 161 Ų | 161 | 96.5 Ų | 96.5 | 84% | 0.843 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.8 | -178.3 | -69.2 | 172 | 0 | 0 | 0 | 113.6 | S111 | S111-L113 PolarHBondContact O-N 3.26Š|
| 114 | L | 33.9 | Very low | 36.6 | Very low | 82 Ų | 82 | 101.5 Ų | 101.5 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -132.9 | 103.8 | 176.6 | -68.4 | 166.4 | 0 | 0 | 0 | 105.9 | S111 K116 | S111-L114 CarbonylContact O-C 3.6Å; S111-L114 PolarHBondContact O-N 2.9Å; L114-K116 HydrophobicContact CB-CD 3.86Å; L114-K116 HydrophobicContact CB-CG 3.95Å; L114-K116 HydrophobicContact CD1-CD 4.18Å; L114-K116 HydrophobicContact CG-CD 4.5Å; L114-K116 PolarHBondContact O-N 3.42Å |
| 115 | F | 31.2 | Very low | 36.7 | Very low | 150 Ų | 150 | 97.9 Ų | 97.9 | 66% | 0.658 | 47% | 0.471 | S | S | * | . | trans | -64.5 | 73 | 169.2 | -74.6 | -92.6 | 0 | 0 | 0 | 109.5 | E141 | F115-E141 WeakPolarHBondContact CB-OE2 3.25Š| ||
| 116 | K | 37.5 | Very low | 36.4 | Very low | 57 Ų | 57 | 105.8 Ų | 105.8 | 25% | 0.248 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 99.9 | 179 | -76.3 | 178.5 | -177.7 | -179 | 0 | 106.5 | C110 L114 G118 V138 | C110-K116 HydrophobicContact CB-CB 4.29Å; C110-K116 PolarHBondContact N-O 3.04Å; L114-K116 HydrophobicContact CB-CD 3.86Å; L114-K116 HydrophobicContact CB-CG 3.95Å; L114-K116 HydrophobicContact CD1-CD 4.18Å; L114-K116 HydrophobicContact CG-CD 4.5Å; L114-K116 PolarHBondContact O-N 3.42Å; K116-G118 PolarHBondContact O-N 3.15Å; K116-V138 HydrophobicContact CB-CG1 4.28Å; K116-V138 HydrophobicContact CD-CG1 4.42Å; K116-V138 HydrophobicContact CG-CG1 4.46Å |
| 117 | T | 35 | Very low | 36.4 | Very low | 43 Ų | 43 | 109.6 Ų | 109.6 | 26% | 0.264 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 102.4 | 168 | 43.4 | 0 | 0 | 0 | 0 | 108.1 | R139 | T117-R139 PolarHBondContact N-O 3.16Å; T117-R139 PolarHBondContact O-N 3.47Å |
| 118 | G | 37.7 | Very low | 36.6 | Very low | 10 Ų | 10 | 110.3 Ų | 110.3 | 10% | 0.103 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 131.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F108 K116 | F108-G118 PolarHBondContact O-N 3.23Å; K116-G118 PolarHBondContact O-N 3.15Å |
| 119 | R | 38.4 | Very low | 36.6 | Very low | 88 Ų | 88 | 107.1 Ų | 107.1 | 33% | 0.332 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.9 | 162.3 | -70.4 | -172.5 | -174.1 | -175.5 | 2.2 | 107.9 | V105 S137 | V105-R119 HydrophobicContact CG1-CB 4.37Å; V105-R119 HydrophobicContact CG1-CG 4.01Å; R119-S137 PolarHBondContact N-O 3.33Å; R119-S137 PolarHBondContact O-N 3.38Å; R119-S137 PolarHBondContact O-OG 3.49Å |
| 120 | V | 40 | Very low | 36.8 | Very low | 37 Ų | 37 | 102.8 Ų | 102.8 | 22% | 0.224 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124 | 174.2 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | R122 V134 | V120-R122 HydrophobicContact CG1-CG 4.46Å; V120-V134 HydrophobicContact CG1-CG1 3.89Å |
| 121 | W | 39.1 | Very low | 37 | Very low | 95 Ų | 95 | 102.9 Ų | 102.9 | 36% | 0.36 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.9 | 174.7 | -55.9 | 85.5 | 0 | 0 | 0 | 108.1 | I102 V105 H123 M135 S137 | I102-W121 HydrophobicContact CD1-CZ3 3.95Å; I102-W121 HydrophobicContact CG1-CE3 4.39Å; I102-W121 HydrophobicContact CG1-CZ3 4.03Å; I102-W121 HydrophobicContact CG2-CE3 4.21Å; I102-W121 HydrophobicContact CG2-CZ3 3.9Å; V105-W121 HydrophobicContact CG2-CZ3 4.32Å; W121-H123 PolarHBondContact O-N 2.89Å; W121-M135 PolarHBondContact N-O 3.06Å; W121-M135 PolarHBondContact O-N 3.48Å; W121-S137 PolarHBondContact NE1-OG 2.85Å |
| 122 | R | 39 | Very low | 37.4 | Very low | 133 Ų | 133 | 102.3 Ų | 102.3 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 98.4 | 173.8 | -63.6 | -172.6 | -169.2 | 177.2 | 10.7 | 108.4 | E106 V120 R124 | E106-R122 IonicContact OE1-NH2 2.89Å; E106-R122 IonicContact OE2-CZ 3.51Å; E106-R122 IonicContact OE2-NH2 3.87Å; E106-R122 PolarHBondContact OE2-NH2 3.44Å; V120-R122 HydrophobicContact CG1-CG 4.46Å; R122-R124 PolarHBondContact O-N 3.38Å |
| 123 | H | 39.4 | Very low | 37.6 | Very low | 79 Ų | 79 | 103.4 Ų | 103.4 | 37% | 0.366 | 48% | 0.484 | S | S | . | . | trans | -78.3 | 115.1 | 172.5 | -164.5 | -80.7 | 0 | 0 | 0 | 108.6 | W121 | W121-H123 PolarHBondContact O-N 2.89Š| ||
| 124 | R | 35.8 | Very low | 37.8 | Very low | 182 Ų | 182 | 97.6 Ų | 97.6 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 135.8 | 164.9 | -76.8 | -169.8 | -174.1 | -179.4 | 2.4 | 107.9 | R122 W126 | R122-R124 PolarHBondContact O-N 3.38Å; R124-W126 PolarHBondContact O-N 3.46Å |
| 125 | T | 38.6 | Very low | 38.1 | Very low | 51 Ų | 51 | 97.5 Ų | 97.5 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 125.5 | 179.2 | 27.2 | 0 | 0 | 0 | 0 | 110.1 | H127 S129 N131 | T125-H127 PolarHBondContact O-N 3Å; T125-S129 VanDerWaalsContact CB-O 3.22Å; T125-S129 WeakPolarHBondContact CB-O 3.26Å; T125-S129 WeakPolarHBondContact CG2-O 3.4Å; T125-S129 PolarHBondContact OG1-O 2.9Å; T125-N131 VanDerWaalsContact CG2-C 3.47Å; T125-N131 WeakPolarHBondContact CG2-O 3.4Å |
| 126 | W | 31.8 | Very low | 38.6 | Very low | 224 Ų | 224 | 92.4 Ų | 92.4 | 85% | 0.848 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -61.4 | 126.7 | 166 | -161.4 | -16.7 | 0 | 0 | 0 | 107.2 | R124 | R124-W126 PolarHBondContact O-N 3.46Š|
| 127 | H | 36.3 | Very low | 38.9 | Very low | 155 Ų | 155 | 90.6 Ų | 90.6 | 72% | 0.718 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 33.8 | 105.5 | 165 | -89.2 | -87.2 | 0 | 0 | 0 | 116.1 | T125 S129 | T125-H127 PolarHBondContact O-N 3Å; H127-S129 PolarHBondContact O-N 2.92Å |
| 128 | Q | 41.9 | Very low | 39 | Very low | 190 Ų | 190 | 91.4 Ų | 91.4 | 89% | 0.888 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 7.1 | 161 | -56.4 | 179.8 | -7 | 0 | 0 | 118.6 | ||
| 129 | S | 37.4 | Very low | 38.9 | Very low | 48 Ų | 48 | 96.4 Ų | 96.4 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | trans | -96.5 | 122.8 | 167.7 | -161.3 | 0 | 0 | 0 | 0 | 111.8 | T125 H127 N131 | T125-S129 VanDerWaalsContact CB-O 3.22Å; T125-S129 WeakPolarHBondContact CB-O 3.26Å; T125-S129 WeakPolarHBondContact CG2-O 3.4Å; T125-S129 PolarHBondContact OG1-O 2.9Å; H127-S129 PolarHBondContact O-N 2.92Å; S129-N131 PolarHBondContact O-N 3.31Å; S129-N131 VanDerWaalsContact O-N 3.12Å; S129-N131 PolarHBondContact OG-ND2 3.15Å | ||
| 130 | P | 38 | Very low | 38.9 | Very low | 111 Ų | 111 | 95 Ų | 95 | 72% | 0.721 | 45% | 0.45 | S | S | * | . | trans | -69.6 | -3.2 | 172.8 | 28.8 | -34.4 | 0 | 0 | 0 | 113.1 | V132 | P130-V132 PolarHBondContact O-N 2.96Š| ||
| 131 | N | 37.6 | Very low | 39 | Very low | 73 Ų | 73 | 98.5 Ų | 98.5 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | trans | -89.7 | 84 | -170.7 | -65.8 | -47.2 | 0 | 0 | 0 | 112.6 | T125 S129 R133 | T125-N131 VanDerWaalsContact CG2-C 3.47Å; T125-N131 WeakPolarHBondContact CG2-O 3.4Å; S129-N131 PolarHBondContact O-N 3.31Å; S129-N131 VanDerWaalsContact O-N 3.12Å; S129-N131 PolarHBondContact OG-ND2 3.15Å; N131-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact O-N 3.12Å | ||
| 132 | V | 40.5 | Very low | 39.2 | Very low | 70 Ų | 70 | 101.7 Ų | 101.7 | 42% | 0.424 | 48% | 0.483 | S | S | . | . | trans | -61.2 | 115.7 | 172 | -176.5 | 0 | 0 | 0 | 0 | 110 | P130 V134 | P130-V132 PolarHBondContact O-N 2.96Å; V132-V134 HydrophobicContact CG1-CG2 4Å | ||
| 133 | R | 41.8 | Very low | 39.2 | Very low | 133 Ų | 133 | 102.3 Ų | 102.3 | 50% | 0.502 | 50% | 0.496 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 111.7 | 170 | -69.1 | -171.9 | -171.5 | -167.4 | 1.3 | 108.7 | N131 H152 | N131-R133 PolarHBondContact O-N 3.21Å; N131-R133 VanDerWaalsContact O-N 3.12Å; R133-H152 PolarHBondContact NE-CE1 3.37Å |
| 134 | V | 42.2 | Very low | 39.1 | Very low | 38 Ų | 38 | 100.8 Ų | 100.8 | 23% | 0.23 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 120.4 | 172.3 | -176.3 | 0 | 0 | 0 | 0 | 108 | V120 V132 | V120-V134 HydrophobicContact CG1-CG1 3.89Å; V132-V134 HydrophobicContact CG1-CG2 4Å |
| 135 | M | 41.2 | Very low | 39.1 | Very low | 80 Ų | 80 | 98.1 Ų | 98.1 | 39% | 0.394 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 112.5 | 172.7 | -73.2 | -170.1 | 67 | 0 | 0 | 108.9 | W121 V147 P150 | W121-M135 PolarHBondContact N-O 3.06Å; W121-M135 PolarHBondContact O-N 3.48Å; M135-V147 HydrophobicContact CE-CG1 4.09Å; M135-P150 HydrophobicContact CG-CB 3.92Å; M135-P150 HydrophobicContact SD-CB 4.39Å |
| 136 | S | 41.5 | Very low | 39.3 | Very low | 43 Ų | 43 | 100.2 Ų | 100.2 | 30% | 0.301 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 131.3 | 166.8 | 41.9 | 0 | 0 | 0 | 0 | 109.5 | S148 | S136-S148 WeakPolarHBondContact O-CB 3.34Å; S136-S148 PolarHBondContact O-N 2.99Å; S136-S148 PolarHBondContact O-OG 2.83Å; S136-S148 PolarHBondContact OG-OG 3.16Å |
| 137 | S | 43.3 | Very low | 39.8 | Very low | 20 Ų | 20 | 93.5 Ų | 93.5 | 14% | 0.14 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125 | 165 | 57.2 | 0 | 0 | 0 | 0 | 107.7 | R119 W121 | R119-S137 PolarHBondContact N-O 3.33Å; R119-S137 PolarHBondContact O-N 3.38Å; R119-S137 PolarHBondContact O-OG 3.49Å; W121-S137 PolarHBondContact NE1-OG 2.85Å |
| 138 | V | 38.1 | Very low | 40.2 | Very low | 60 Ų | 60 | 87.7 Ų | 87.7 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 114.4 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 106.4 | K116 V146 | K116-V138 HydrophobicContact CB-CG1 4.28Å; K116-V138 HydrophobicContact CD-CG1 4.42Å; K116-V138 HydrophobicContact CG-CG1 4.46Å; V138-V146 PolarHBondContact N-O 2.77Å; V138-V146 PolarHBondContact O-N 2.81Å |
| 139 | R | 35.9 | Very low | 40.2 | Very low | 115 Ų | 115 | 84.3 Ų | 84.3 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.6 | 173 | -170.3 | -179.9 | -176.4 | -169.6 | 2 | 107.5 | T117 F145 | T117-R139 PolarHBondContact N-O 3.16Å; T117-R139 PolarHBondContact O-N 3.47Å; R139-F145 HydrophobicContact CG-CE1 4.39Å |
| 140 | N | 37.9 | Very low | 40.3 | Very low | 57 Ų | 57 | 84.2 Ų | 84.2 | 31% | 0.305 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 134.3 | 159.7 | -161.4 | 9 | 0 | 0 | 0 | 106.9 | E142 | N140-E142 PolarHBondContact O-N 3.05Å |
| 141 | E | 42.4 | Very low | 40.5 | Very low | 112 Ų | 112 | 85.3 Ų | 85.3 | 52% | 0.523 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -61.9 | -28.7 | -176.8 | -78.1 | -176.4 | 168.4 | 0 | 0 | 112.3 | F115 | F115-E141 WeakPolarHBondContact CB-OE2 3.25Š|
| 142 | E | 42.2 | Very low | 40.5 | Very low | 162 Ų | 162 | 86.1 Ų | 86.1 | 76% | 0.757 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -92.4 | -33.7 | -170.4 | -67.7 | -177.5 | 160.1 | 0 | 0 | 115.2 | N140 | N140-E142 PolarHBondContact O-N 3.05Š|
| 143 | N | 39.7 | Very low | 40.3 | Very low | 145 Ų | 145 | 87.6 Ų | 87.6 | 78% | 0.775 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -151.6 | 63.4 | -166.7 | -81.7 | -44.3 | 0 | 0 | 0 | 114.9 | ||
| 144 | G | 36 | Very low | 40 | Very low | 47 Ų | 47 | 89.8 Ų | 89.8 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | trans | 90.6 | 166.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | V146 | G144-V146 PolarHBondContact O-N 2.86Š| ||
| 145 | F | 37.6 | Very low | 39.4 | Very low | 127 Ų | 127 | 97.5 Ų | 97.5 | 56% | 0.557 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115 | -178.9 | -70 | -87.7 | 0 | 0 | 0 | 110.3 | R139 V147 | R139-F145 HydrophobicContact CG-CE1 4.39Å; F145-V147 PolarHBondContact O-N 2.99Å |
| 146 | V | 43 | Very low | 38.9 | Very low | 94 Ų | 94 | 101.9 Ų | 101.9 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | 93.6 | 161.9 | -174 | 0 | 0 | 0 | 0 | 107.1 | V138 G144 S148 | V138-V146 PolarHBondContact N-O 2.77Å; V138-V146 PolarHBondContact O-N 2.81Å; G144-V146 PolarHBondContact O-N 2.86Å; V146-S148 PolarHBondContact O-N 3Å; V146-S148 VanDerWaalsContact O-N 3.1Å |
| 147 | V | 41.5 | Very low | 38.6 | Very low | 84 Ų | 84 | 102.1 Ų | 102.1 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 106.6 | 167.7 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | M135 F145 I149 | M135-V147 HydrophobicContact CE-CG1 4.09Å; F145-V147 PolarHBondContact O-N 2.99Å; V147-I149 PolarHBondContact O-N 3.03Å |
| 148 | S | 43.9 | Very low | 38.3 | Very low | 32 Ų | 32 | 111.4 Ų | 111.4 | 22% | 0.224 | 54% | 0.541 | C | S | . | . | P | Polyproline II helix | trans | -72 | 123.7 | 171.7 | 76.5 | 0 | 0 | 0 | 0 | 107.9 | S136 V146 | S136-S148 WeakPolarHBondContact O-CB 3.34Å; S136-S148 PolarHBondContact O-N 2.99Å; S136-S148 PolarHBondContact O-OG 2.83Å; S136-S148 PolarHBondContact OG-OG 3.16Å; V146-S148 PolarHBondContact O-N 3Å; V146-S148 VanDerWaalsContact O-N 3.1Å |
| 149 | I | 41.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130.3 | -176.3 | -62 | 171.1 | 0 | 0 | 0 | 108.1 | V147 K151 | V147-I149 PolarHBondContact O-N 3.03Å; I149-K151 PolarHBondContact O-N 3.38Å |
| 150 | P | 40.9 | Very low | 37.3 | Very low | 45 Ų | 45 | 118.9 Ų | 118.9 | 29% | 0.292 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -51.2 | 116 | -176.6 | 15.5 | -28.9 | 0 | 0 | 0 | 110.9 | M135 | M135-P150 HydrophobicContact CG-CB 3.92Å; M135-P150 HydrophobicContact SD-CB 4.39Å |
| 151 | K | 42.1 | Very low | 36.7 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.8 | 176.5 | -65.9 | -177.2 | -179.3 | 178.6 | 0 | 107.9 | I149 W153 | I149-K151 PolarHBondContact O-N 3.38Å; K151-W153 PolarHBondContact O-N 3.47Å |
| 152 | H | 37.7 | Very low | 36 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 42% | 0.417 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 117.7 | 173.9 | -80.6 | -75 | 0 | 0 | 0 | 110 | R133 | R133-H152 PolarHBondContact NE-CE1 3.37Å |
| 153 | W | 36.8 | Very low | 35.4 | Very low | 101 Ų | 101 | 121.2 Ų | 121.2 | 38% | 0.383 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -86.6 | 119 | 167.6 | -64 | 78.7 | 0 | 0 | 0 | 107.6 | K151 R160 | K151-W153 PolarHBondContact O-N 3.47Å; W153-R160 HydrophobicContact CZ3-CB 4.22Å |
| 154 | R | 33.9 | Very low | 34.8 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 68% | 0.679 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -97.7 | 129.3 | 165.5 | -76 | -172.1 | -179.2 | -179.2 | 0.2 | 108.6 | Y156 | R154-Y156 HydrophobicContact CB-CD2 4.33Å; R154-Y156 HydrophobicContact CB-CE2 3.88Å |
| 155 | Y | 30.3 | Very low | 34.6 | Very low | 200 Ų | 200 | 123.2 Ų | 123.2 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 116.9 | -178.6 | -162.8 | -98.5 | 0 | 0 | 0 | 109.5 | ||
| 156 | Y | 31.5 | Very low | 34.3 | Very low | 171 Ų | 171 | 121.7 Ų | 121.7 | 67% | 0.671 | 61% | 0.61 | S | S | * | * | trans | -128 | 83.6 | 168.5 | -70.3 | -78.5 | 0 | 0 | 0 | 108.4 | R154 | R154-Y156 HydrophobicContact CB-CD2 4.33Å; R154-Y156 HydrophobicContact CB-CE2 3.88Å | ||
| 157 | G | 34 | Very low | 33.5 | Very low | 48 Ų | 48 | 129.3 Ų | 129.3 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.3 | -142 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V159 | G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 3.49Å |
| 158 | K | 36.5 | Very low | 32.8 | Very low | 215 Ų | 215 | 128.7 Ų | 128.7 | 94% | 0.935 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -3.1 | -176.2 | -73.2 | -176.2 | 179 | 177.9 | 0 | 114.7 | ||
| 159 | V | 24.7 | Very low | 31.8 | Very low | 109 Ų | 109 | 136 Ų | 136 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | trans | -109.1 | 117.4 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | G157 K161 | G157-V159 VanDerWaalsContact C-N 3.34Å; G157-V159 PolarHBondContact O-N 3.49Å; V159-K161 PolarHBondContact O-N 3.27Å | ||
| 160 | R | 28.1 | Very low | 31.1 | Very low | 223 Ų | 223 | 138.5 Ų | 138.5 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | trans | -79.8 | 100.5 | 176.2 | -67 | -177.8 | -178.7 | 179.2 | 1.7 | 109.8 | W153 | W153-R160 HydrophobicContact CZ3-CB 4.22Š| ||
| 161 | K | 26.1 | Very low | 30.6 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 78% | 0.778 | 74% | 0.738 | S | S | * | * | trans | -104.2 | 118.2 | 173.8 | -148.2 | 172.8 | -175.1 | 177.9 | 0 | 110.2 | V159 G163 | V159-K161 PolarHBondContact O-N 3.27Å; K161-G163 PolarHBondContact O-N 3.38Å; K161-G163 VanDerWaalsContact O-N 3.16Å | ||
| 162 | M | 28.6 | Very low | 30 | Very low | 147 Ų | 147 | 144.9 Ų | 144.9 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -66.7 | 108.7 | 172.2 | -88.1 | -174.7 | -81.5 | 0 | 0 | 109.4 | ||||
| 163 | G | 28 | Very low | 29.6 | Very low | 54 Ų | 54 | 147.8 Ų | 147.8 | 56% | 0.557 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 117.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | K161 T165 | K161-G163 PolarHBondContact O-N 3.38Å; K161-G163 VanDerWaalsContact O-N 3.16Å; G163-T165 PolarHBondContact O-N 3.12Å | ||
| 164 | T | 29.1 | Very low | 29.2 | Very low | 113 Ų | 113 | 150.4 Ų | 150.4 | 69% | 0.693 | 78% | 0.784 | S | S | * | * | trans | -84.1 | 104.6 | 170 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | S166 | T164-S166 VanDerWaalsContact C-N 3.27Å; T164-S166 PolarHBondContact O-N 3.24Å | ||
| 165 | T | 30.9 | Very low | 29 | Very low | 122 Ų | 122 | 148.6 Ų | 148.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -89.5 | 62.4 | 169.2 | 32.2 | 0 | 0 | 0 | 0 | 109.9 | G163 R167 | G163-T165 PolarHBondContact O-N 3.12Å; T165-R167 PolarHBondContact O-N 3.2Å | ||
| 166 | S | 30.9 | Very low | 28.9 | Very low | 94 Ų | 94 | 145.4 Ų | 145.4 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | trans | -92.6 | 84.6 | 162.4 | 55.5 | 0 | 0 | 0 | 0 | 108.1 | T164 | T164-S166 VanDerWaalsContact C-N 3.27Å; T164-S166 PolarHBondContact O-N 3.24Å | ||
| 167 | R | 26.5 | Very low | 28.7 | Very low | 254 Ų | 254 | 143.7 Ų | 143.7 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 122.6 | 154.6 | -92.1 | -173.1 | 171.2 | -174.3 | -2.7 | 106.7 | T165 | T165-R167 PolarHBondContact O-N 3.2Š| ||
| 168 | G | 26.1 | Very low | 28.3 | Very low | 72 Ų | 72 | 150.6 Ų | 150.6 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | 109.1 | 127.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 169 | M | 24.4 | Very low | 27.7 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | cis | -147.5 | 149.7 | -4.6 | -89.9 | -179.6 | 67.4 | 0 | 0 | 108.1 | ||||
| 170 | I | 26.5 | Very low | 27.9 | Very low | 173 Ų | 173 | 148.7 Ų | 148.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | -80.5 | 121.9 | 166.7 | -63.1 | 164.6 | 0 | 0 | 0 | 107 | ||||
| 171 | A | 30 | Very low | 27.9 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 100% | 1.388 | 82% | 0.822 | S | S | * | * | trans | -174.5 | 0 | 144.2 | 0 | 0 | 0 | 0 | 0 | 107.5 |
Retrieved 171 of 171 residues in 74.6 ms
(Link to these results)