| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.7 | Very low | 32.6 | Very low | 243 Ų | 243 | 116.5 Ų | 116.5 | 100% | 1.197 | 72% | 0.722 | S | S | * | * | 0 | 94.4 | 0 | -73.2 | 175.7 | 176.8 | 0 | 0 | 107.5 | |||||
| 2 | Y | 29.2 | Very low | 32.5 | Very low | 239 Ų | 239 | 111.7 Ų | 111.7 | 94% | 0.937 | 70% | 0.702 | S | S | * | * | trans | -107.4 | 114.7 | 167.4 | -86 | -84.8 | 0 | 0 | 0 | 107 | S4 | Y2-S4 PolarHBondContact O-N 3.27Š| ||
| 3 | S | 30.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 81% | 0.811 | 68% | 0.68 | S | S | * | * | trans | -67.7 | 122.2 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | A5 | S3-A5 PolarHBondContact O-N 3.44Š| ||
| 4 | S | 38.8 | Very low | 33.1 | Very low | 110 Ų | 110 | 107.3 Ų | 107.3 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | trans | -66.6 | 94.1 | 168.7 | 53.6 | 0 | 0 | 0 | 0 | 108.9 | Y2 S6 | Y2-S4 PolarHBondContact O-N 3.27Å; S4-S6 PolarHBondContact O-N 3.21Å | ||
| 5 | A | 34.7 | Very low | 33.1 | Very low | 95 Ų | 95 | 106 Ų | 106 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | trans | -63.3 | 106.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | S3 | S3-A5 PolarHBondContact O-N 3.44Š| ||
| 6 | S | 30.1 | Very low | 33.1 | Very low | 68 Ų | 68 | 107.8 Ų | 107.8 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | trans | -59.6 | 131.8 | -175.1 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | S4 I8 G9 | S4-S6 PolarHBondContact O-N 3.21Å; S6-I8 PolarHBondContact O-N 3.35Å; S6-I8 WeakPolarHBondContact OG-CD1 3.34Å; S6-I8 WeakPolarHBondContact OG-CG1 3.43Å; S6-G9 PolarHBondContact O-N 2.88Å; S6-G9 VanDerWaalsContact O-N 3.12Å | ||
| 7 | P | 34 | Very low | 33.3 | Very low | 113 Ų | 113 | 106 Ų | 106 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -6.8 | 178.7 | 21.8 | -31.4 | 0 | 0 | 0 | 114 | G9 A10 | P7-G9 PolarHBondContact O-N 3.35Å; P7-A10 PolarHBondContact O-N 2.99Å |
| 8 | I | 31.1 | Very low | 33.4 | Very low | 135 Ų | 135 | 103.1 Ų | 103.1 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60 | -25.4 | 171.7 | -60 | 173.4 | 0 | 0 | 0 | 111.9 | S6 A12 | S6-I8 PolarHBondContact O-N 3.35Å; S6-I8 WeakPolarHBondContact OG-CD1 3.34Å; S6-I8 WeakPolarHBondContact OG-CG1 3.43Å; I8-A12 PolarHBondContact O-N 2.85Å |
| 9 | G | 30.2 | Very low | 33.4 | Very low | 53 Ų | 53 | 103.1 Ų | 103.1 | 55% | 0.546 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.3 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S6 P7 | S6-G9 PolarHBondContact O-N 2.88Å; S6-G9 VanDerWaalsContact O-N 3.12Å; P7-G9 PolarHBondContact O-N 3.35Å |
| 10 | A | 32.9 | Very low | 33.3 | Very low | 70 Ų | 70 | 101.2 Ų | 101.2 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.9 | -32.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P7 S13 V14 | P7-A10 PolarHBondContact O-N 2.99Å; A10-S13 PolarHBondContact O-N 3.17Å; A10-V14 PolarHBondContact O-N 3.28Å |
| 11 | G | 30.8 | Very low | 33.6 | Very low | 40 Ų | 40 | 100.4 Ų | 100.4 | 41% | 0.412 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.6 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S13 V14 V15 | G11-S13 VanDerWaalsContact C-N 3.29Å; G11-S13 PolarHBondContact O-N 3.4Å; G11-V14 PolarHBondContact O-N 2.84Å; G11-V15 PolarHBondContact O-N 3.16Å |
| 12 | A | 30.9 | Very low | 33.5 | Very low | 58 Ų | 58 | 95.8 Ų | 95.8 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.6 | -36.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I8 V15 E16 | I8-A12 PolarHBondContact O-N 2.85Å; A12-V15 PolarHBondContact O-N 3.16Å; A12-E16 PolarHBondContact O-N 3.25Å |
| 13 | S | 40.1 | Very low | 34 | Very low | 60 Ų | 60 | 87.9 Ų | 87.9 | 42% | 0.42 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.4 | -37 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 112.9 | A10 G11 L17 | A10-S13 PolarHBondContact O-N 3.17Å; G11-S13 VanDerWaalsContact C-N 3.29Å; G11-S13 PolarHBondContact O-N 3.4Å; S13-L17 WeakPolarHBondContact O-CB 3.5Å; S13-L17 WeakPolarHBondContact O-CD1 3.34Å; S13-L17 PolarHBondContact O-N 2.87Å |
| 14 | V | 33.9 | Very low | 34.3 | Very low | 102 Ų | 102 | 86.4 Ų | 86.4 | 62% | 0.618 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.4 | -37.5 | 177.8 | 180 | 0 | 0 | 0 | 0 | 111.5 | A10 G11 L17 A18 | A10-V14 PolarHBondContact O-N 3.28Å; G11-V14 PolarHBondContact O-N 2.84Å; V14-L17 WeakPolarHBondContact O-CB 3.47Å; V14-L17 PolarHBondContact O-N 2.73Å; V14-A18 PolarHBondContact O-N 2.73Å |
| 15 | V | 32.9 | Very low | 34.3 | Very low | 88 Ų | 88 | 85.7 Ų | 85.7 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.7 | -42.6 | 176 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | G11 A12 L17 A18 I19 | G11-V15 PolarHBondContact O-N 3.16Å; A12-V15 PolarHBondContact O-N 3.16Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.47Å; V15-A18 WeakPolarHBondContact O-CB 3.45Å; V15-A18 PolarHBondContact O-N 3.21Å; V15-A18 VanDerWaalsContact O-N 3.13Å; V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 3.19Å |
| 16 | E | 33.1 | Very low | 34.2 | Very low | 134 Ų | 134 | 87 Ų | 87 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.9 | -34.8 | 174.2 | -81.8 | -175 | 149.3 | 0 | 0 | 112.6 | A12 I19 S20 | A12-E16 PolarHBondContact O-N 3.25Å; E16-I19 PolarHBondContact O-N 2.87Å; E16-S20 VanDerWaalsContact O-CB 3.3Å; E16-S20 WeakPolarHBondContact O-CB 3.36Å; E16-S20 PolarHBondContact O-N 3.44Å; E16-S20 PolarHBondContact O-OG 2.88Å |
| 17 | L | 36.2 | Very low | 34.6 | Very low | 78 Ų | 78 | 91 Ų | 91 | 41% | 0.408 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 170.8 | -106.5 | 119.9 | 0 | 0 | 0 | 111.2 | S13 V14 V15 I19 S20 F21 W47 | S13-L17 WeakPolarHBondContact O-CB 3.5Å; S13-L17 WeakPolarHBondContact O-CD1 3.34Å; S13-L17 PolarHBondContact O-N 2.87Å; V14-L17 WeakPolarHBondContact O-CB 3.47Å; V14-L17 PolarHBondContact O-N 2.73Å; V15-L17 VanDerWaalsContact C-N 3.28Å; V15-L17 PolarHBondContact O-N 3.47Å; L17-I19 PolarHBondContact O-N 2.88Å; L17-S20 PolarHBondContact O-N 2.81Å; L17-F21 HydrophobicContact CD2-CD2 4.39Å; L17-F21 HydrophobicContact CD2-CE2 4.08Å; L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 VanDerWaalsContact O-CD2 3.31Å; L17-F21 WeakPolarHBondContact O-CD2 3.43Å; L17-F21 PolarHBondContact O-N 3.43Å; L17-W47 HydrophobicContact CD2-CZ3 4.22Å |
| 18 | A | 35.2 | Very low | 34.7 | Very low | 54 Ų | 54 | 90.3 Ų | 90.3 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | V14 V15 F21 F22 | V14-A18 PolarHBondContact O-N 2.73Å; V15-A18 WeakPolarHBondContact O-CB 3.45Å; V15-A18 PolarHBondContact O-N 3.21Å; V15-A18 VanDerWaalsContact O-N 3.13Å; A18-F21 WeakPolarHBondContact O-CB 3.19Å; A18-F21 PolarHBondContact O-N 3.17Å; A18-F22 PolarHBondContact O-N 2.01Å |
| 19 | I | 32.9 | Very low | 34.9 | Very low | 102 Ų | 102 | 88.3 Ų | 88.3 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 177 | -65.9 | 169.6 | 0 | 0 | 0 | 111.4 | V15 E16 L17 F21 F22 T23 | V15-I19 HydrophobicContact CG1-CD1 4.06Å; V15-I19 WeakPolarHBondContact O-CG1 3.41Å; V15-I19 PolarHBondContact O-N 3.19Å; E16-I19 PolarHBondContact O-N 2.87Å; L17-I19 PolarHBondContact O-N 2.88Å; I19-F21 VanDerWaalsContact C-N 3.27Å; I19-F21 PolarHBondContact O-N 2.87Å; I19-F22 PolarHBondContact O-N 3.02Å; I19-T23 PolarHBondContact O-N 2.94Å; I19-T23 PolarHBondContact O-OG1 3.29Å |
| 20 | S | 31.9 | Very low | 35 | Very low | 66 Ų | 66 | 93 Ų | 93 | 46% | 0.462 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 174.1 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | E16 L17 T23 L24 | E16-S20 VanDerWaalsContact O-CB 3.3Å; E16-S20 WeakPolarHBondContact O-CB 3.36Å; E16-S20 PolarHBondContact O-N 3.44Å; E16-S20 PolarHBondContact O-OG 2.88Å; L17-S20 PolarHBondContact O-N 2.81Å; S20-T23 PolarHBondContact O-N 2.74Å; S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 2.77Å |
| 21 | F | 40 | Very low | 35 | Very low | 84 Ų | 84 | 94.9 Ų | 94.9 | 37% | 0.368 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 174.1 | -100.4 | -78.6 | 0 | 0 | 0 | 112.8 | L17 A18 I19 T23 L24 N25 L44 | L17-F21 HydrophobicContact CD2-CD2 4.39Å; L17-F21 HydrophobicContact CD2-CE2 4.08Å; L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 VanDerWaalsContact O-CD2 3.31Å; L17-F21 WeakPolarHBondContact O-CD2 3.43Å; L17-F21 PolarHBondContact O-N 3.43Å; A18-F21 WeakPolarHBondContact O-CB 3.19Å; A18-F21 PolarHBondContact O-N 3.17Å; I19-F21 VanDerWaalsContact C-N 3.27Å; I19-F21 PolarHBondContact O-N 2.87Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 2.92Å; F21-L24 PolarHBondContact O-N 2.95Å; F21-N25 WeakPolarHBondContact O-CB 3.17Å; F21-N25 PolarHBondContact O-N 2.86Å; F21-L44 HydrophobicContact CE1-CD2 3.86Å; F21-L44 HydrophobicContact CZ-CD2 4.09Å |
| 22 | F | 35.3 | Very low | 34.9 | Very low | 147 Ų | 147 | 104.2 Ų | 104.2 | 65% | 0.645 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.3 | -39.7 | 173 | -110.4 | -84.1 | 0 | 0 | 0 | 112.1 | A18 I19 N26 | A18-F22 PolarHBondContact O-N 2.01Å; I19-F22 PolarHBondContact O-N 3.02Å; F22-N26 PolarHBondContact O-N 2.92Å |
| 23 | T | 39.3 | Very low | 34.9 | Very low | 73 Ų | 73 | 104 Ų | 104 | 45% | 0.448 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.9 | I19 S20 F21 K27 | I19-T23 PolarHBondContact O-N 2.94Å; I19-T23 PolarHBondContact O-OG1 3.29Å; S20-T23 PolarHBondContact O-N 2.74Å; F21-T23 VanDerWaalsContact C-N 3.27Å; F21-T23 PolarHBondContact O-N 2.92Å; T23-K27 WeakPolarHBondContact O-CG 3.2Å; T23-K27 PolarHBondContact O-N 2.97Å |
| 24 | L | 36.6 | Very low | 34.2 | Very low | 85 Ų | 85 | 105.7 Ų | 105.7 | 45% | 0.445 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.9 | -44.9 | 173.4 | -90.6 | 146.8 | 0 | 0 | 0 | 111.7 | S20 F21 N26 K27 F28 | S20-L24 WeakPolarHBondContact O-CB 3.45Å; S20-L24 PolarHBondContact O-N 2.77Å; F21-L24 PolarHBondContact O-N 2.95Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 3.33Å; L24-K27 CarbonylContact O-C 3.59Å; L24-K27 WeakPolarHBondContact O-CA 2.9Å; L24-K27 WeakPolarHBondContact O-CB 3.37Å; L24-K27 PolarHBondContact O-N 3.15Å; L24-F28 HydrophobicContact CB-CD2 4.42Å; L24-F28 HydrophobicContact CB-CE2 4.42Å; L24-F28 HydrophobicContact CD2-CD2 4.23Å; L24-F28 HydrophobicContact CD2-CE2 3.47Å; L24-F28 VanDerWaalsContact CD2-CE2 3.47Å; L24-F28 HydrophobicContact CD2-CZ 4.31Å; L24-F28 WeakPolarHBondContact O-CD2 3.21Å; L24-F28 PolarHBondContact O-N 3.11Å |
| 25 | N | 37.7 | Very low | 34.2 | Very low | 94 Ų | 94 | 111 Ų | 111 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -38.9 | 177.5 | -108.5 | -9.6 | 0 | 0 | 0 | 112.5 | F21 K27 F28 S29 | F21-N25 WeakPolarHBondContact O-CB 3.17Å; F21-N25 PolarHBondContact O-N 2.86Å; N25-K27 VanDerWaalsContact C-N 3.27Å; N25-K27 PolarHBondContact O-N 2.68Å; N25-F28 PolarHBondContact O-N 2.81Å; N25-S29 PolarHBondContact O-N 2.75Å; N25-S29 VanDerWaalsContact O-N 3.08Å |
| 26 | N | 33.8 | Very low | 34.2 | Very low | 124 Ų | 124 | 110 Ų | 110 | 66% | 0.663 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -31.8 | 172.6 | -100.5 | -28.2 | 0 | 0 | 0 | 112.8 | F22 L24 | F22-N26 PolarHBondContact O-N 2.92Å; L24-N26 VanDerWaalsContact C-N 3.34Å; L24-N26 PolarHBondContact O-N 3.33Å |
| 27 | K | 37.5 | Very low | 34.5 | Very low | 152 Ų | 152 | 108.7 Ų | 108.7 | 66% | 0.661 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -75.6 | -30.7 | 174.3 | -74.4 | 178.9 | 177.9 | -179.1 | 0 | 113 | T23 L24 N25 | T23-K27 WeakPolarHBondContact O-CG 3.2Å; T23-K27 PolarHBondContact O-N 2.97Å; L24-K27 CarbonylContact O-C 3.59Å; L24-K27 WeakPolarHBondContact O-CA 2.9Å; L24-K27 WeakPolarHBondContact O-CB 3.37Å; L24-K27 PolarHBondContact O-N 3.15Å; N25-K27 VanDerWaalsContact C-N 3.27Å; N25-K27 PolarHBondContact O-N 2.68Å |
| 28 | F | 36.3 | Very low | 34.6 | Very low | 97 Ų | 97 | 109.9 Ų | 109.9 | 43% | 0.425 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -86.3 | -11.5 | -179.7 | -75.7 | -65 | 0 | 0 | 0 | 114.9 | L24 N25 L30 L31 | L24-F28 HydrophobicContact CB-CD2 4.42Å; L24-F28 HydrophobicContact CB-CE2 4.42Å; L24-F28 HydrophobicContact CD2-CD2 4.23Å; L24-F28 HydrophobicContact CD2-CE2 3.47Å; L24-F28 VanDerWaalsContact CD2-CE2 3.47Å; L24-F28 HydrophobicContact CD2-CZ 4.31Å; L24-F28 WeakPolarHBondContact O-CD2 3.21Å; L24-F28 PolarHBondContact O-N 3.11Å; N25-F28 PolarHBondContact O-N 2.81Å; F28-L30 PolarHBondContact O-N 3.5Å; F28-L31 PolarHBondContact O-N 2.83Å |
| 29 | S | 35.2 | Very low | 35 | Very low | 94 Ų | 94 | 112.3 Ų | 112.3 | 66% | 0.657 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | -16.1 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 114.1 | N25 | N25-S29 PolarHBondContact O-N 2.75Å; N25-S29 VanDerWaalsContact O-N 3.08Å |
| 30 | L | 32.5 | Very low | 35.7 | Very low | 152 Ų | 152 | 110.6 Ų | 110.6 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 2.8 | 179 | -75.7 | 162.3 | 0 | 0 | 0 | 115.7 | F28 | F28-L30 PolarHBondContact O-N 3.5Š|
| 31 | L | 32.8 | Very low | 36.4 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | trans | -133.3 | 73.7 | -178.2 | -72.3 | 166.5 | 0 | 0 | 0 | 112.4 | F28 S33 M36 | F28-L31 PolarHBondContact O-N 2.83Å; L31-S33 PolarHBondContact O-N 3.35Å; L31-M36 HydrophobicContact CB-CE 4.39Å; L31-M36 HydrophobicContact CB-SD 4.06Å | ||
| 32 | R | 29.4 | Very low | 36.8 | Very low | 237 Ų | 237 | 115.4 Ų | 115.4 | 89% | 0.894 | 57% | 0.566 | S | S | * | * | trans | -73.4 | 108.9 | 173.9 | -85.3 | -174.4 | 172.4 | -177.5 | -2.3 | 111.9 | ||||
| 33 | S | 29.8 | Very low | 37.4 | Very low | 53 Ų | 53 | 114.1 Ų | 114.1 | 37% | 0.371 | 56% | 0.561 | S | S | . | * | trans | -148.4 | 134.2 | 152.8 | 68.8 | 0 | 0 | 0 | 0 | 108.7 | L31 W35 M36 | L31-S33 PolarHBondContact O-N 3.35Å; S33-W35 PolarHBondContact O-N 3.32Å; S33-M36 WeakPolarHBondContact O-CB 3.39Å; S33-M36 PolarHBondContact O-N 2.86Å | ||
| 34 | C | 26.5 | Very low | 37.9 | Very low | 95 Ų | 95 | 114 Ų | 114 | 64% | 0.642 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.6 | -27 | -178.9 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | M36 E37 D38 | C34-M36 VanDerWaalsContact C-N 3.33Å; C34-M36 PolarHBondContact O-N 3.29Å; C34-E37 PolarHBondContact O-N 2.76Å; C34-D38 PolarHBondContact O-N 2.78Å |
| 35 | W | 34.2 | Very low | 38.5 | Very low | 213 Ų | 213 | 111.5 Ų | 111.5 | 81% | 0.807 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -32 | 175.2 | -81 | 52.2 | 0 | 0 | 0 | 113.7 | S33 L39 | S33-W35 PolarHBondContact O-N 3.32Å; W35-L39 WeakPolarHBondContact O-CG 3.45Å; W35-L39 PolarHBondContact O-N 2.81Å |
| 36 | M | 32.1 | Very low | 38.9 | Very low | 69 Ų | 69 | 109.8 Ų | 109.8 | 34% | 0.34 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -76.9 | -33.1 | -179.1 | -139.1 | 171.7 | -72.1 | 0 | 0 | 111.1 | L31 S33 C34 L39 I40 | L31-M36 HydrophobicContact CB-CE 4.39Å; L31-M36 HydrophobicContact CB-SD 4.06Å; S33-M36 WeakPolarHBondContact O-CB 3.39Å; S33-M36 PolarHBondContact O-N 2.86Å; C34-M36 VanDerWaalsContact C-N 3.33Å; C34-M36 PolarHBondContact O-N 3.29Å; M36-L39 PolarHBondContact O-N 2.03Å; M36-I40 WeakPolarHBondContact O-CD1 3.45Å; M36-I40 WeakPolarHBondContact O-CG1 3.47Å; M36-I40 PolarHBondContact O-N 3.33Å |
| 37 | E | 39.2 | Very low | 39.7 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 175.5 | -67.7 | 172.4 | 176 | 0 | 0 | 111.3 | C34 L39 I40 L41 | C34-E37 PolarHBondContact O-N 2.76Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.32Å; E37-I40 PolarHBondContact O-N 3.31Å; E37-L41 WeakPolarHBondContact O-CG 3.14Å; E37-L41 PolarHBondContact O-N 3.48Å |
| 38 | D | 39.4 | Very low | 40.2 | Very low | 104 Ų | 104 | 105.8 Ų | 105.8 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 173.4 | -77.5 | -14.8 | 0 | 0 | 0 | 112.5 | C34 R42 | C34-D38 PolarHBondContact O-N 2.78Å; D38-R42 VanDerWaalsContact O-CB 3.25Å; D38-R42 WeakPolarHBondContact O-CB 3.02Å; D38-R42 PolarHBondContact O-N 3.48Å |
| 39 | L | 43.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 101.2 Ų | 101.2 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 176.1 | -76.1 | 170.5 | 0 | 0 | 0 | 111.5 | W35 M36 E37 K43 | W35-L39 WeakPolarHBondContact O-CG 3.45Å; W35-L39 PolarHBondContact O-N 2.81Å; M36-L39 PolarHBondContact O-N 2.03Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-L39 PolarHBondContact O-N 3.32Å; L39-K43 WeakPolarHBondContact O-CB 3.05Å; L39-K43 WeakPolarHBondContact O-CG 3.43Å; L39-K43 PolarHBondContact O-N 3.2Å |
| 40 | I | 47.1 | Very low | 40.9 | Very low | 67 Ų | 67 | 103.5 Ų | 103.5 | 34% | 0.344 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.3 | -48.4 | 177.6 | -70.3 | 163.8 | 0 | 0 | 0 | 110.3 | M36 E37 R42 K43 L44 | M36-I40 WeakPolarHBondContact O-CD1 3.45Å; M36-I40 WeakPolarHBondContact O-CG1 3.47Å; M36-I40 PolarHBondContact O-N 3.33Å; E37-I40 PolarHBondContact O-N 3.31Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.42Å; I40-K43 PolarHBondContact O-N 3.48Å; I40-K43 VanDerWaalsContact O-N 3.12Å; I40-L44 HydrophobicContact CG2-CD1 3.83Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.26Å; I40-L44 PolarHBondContact O-N 2.86Å |
| 41 | L | 46 | Very low | 41.6 | Very low | 105 Ų | 105 | 100.9 Ų | 100.9 | 55% | 0.55 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 178.1 | -74.1 | 172.7 | 0 | 0 | 0 | 111.6 | E37 K43 L44 F45 | E37-L41 WeakPolarHBondContact O-CG 3.14Å; E37-L41 PolarHBondContact O-N 3.48Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-K43 PolarHBondContact O-N 3.38Å; L41-L44 PolarHBondContact O-N 2.88Å; L41-F45 WeakPolarHBondContact O-CB 3.45Å; L41-F45 PolarHBondContact O-N 3.25Å |
| 42 | R | 48.2 | Very low | 42.3 | Very low | 145 Ų | 145 | 98.5 Ų | 98.5 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -39.5 | 174.6 | -168.6 | 174.8 | -174.3 | -168.7 | 3.3 | 112 | D38 I40 Q46 | D38-R42 VanDerWaalsContact O-CB 3.25Å; D38-R42 WeakPolarHBondContact O-CB 3.02Å; D38-R42 PolarHBondContact O-N 3.48Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 3.42Å; R42-Q46 WeakPolarHBondContact O-CB 3.47Å; R42-Q46 WeakPolarHBondContact O-CG 3.4Å; R42-Q46 PolarHBondContact O-N 2.83Å |
| 43 | K | 48.9 | Very low | 42.8 | Very low | 120 Ų | 120 | 90.1 Ų | 90.1 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.6 | -40.2 | 176.6 | -74.6 | -71 | 177.3 | -166.7 | 0 | 112.1 | L39 I40 L41 Q46 W47 | L39-K43 WeakPolarHBondContact O-CB 3.05Å; L39-K43 WeakPolarHBondContact O-CG 3.43Å; L39-K43 PolarHBondContact O-N 3.2Å; I40-K43 PolarHBondContact O-N 3.48Å; I40-K43 VanDerWaalsContact O-N 3.12Å; L41-K43 VanDerWaalsContact C-N 3.35Å; L41-K43 PolarHBondContact O-N 3.38Å; K43-Q46 PolarHBondContact O-N 3.04Å; K43-W47 WeakPolarHBondContact O-CB 3.42Å; K43-W47 VanDerWaalsContact O-CD1 3.24Å; K43-W47 PolarHBondContact O-N 2.48Å |
| 44 | L | 48.7 | Very low | 43.3 | Very low | 72 Ų | 72 | 95.4 Ų | 95.4 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 175 | -73.9 | 172.7 | 0 | 0 | 0 | 111.1 | F21 I40 L41 W47 S48 | F21-L44 HydrophobicContact CE1-CD2 3.86Å; F21-L44 HydrophobicContact CZ-CD2 4.09Å; I40-L44 HydrophobicContact CG2-CD1 3.83Å; I40-L44 HydrophobicContact CG2-CG 4.25Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.26Å; I40-L44 PolarHBondContact O-N 2.86Å; L41-L44 PolarHBondContact O-N 2.88Å; L44-W47 PolarHBondContact O-N 2.84Å; L44-S48 PolarHBondContact O-N 2.93Å; L44-S48 PolarHBondContact O-OG 3.48Å |
| 45 | F | 48.8 | Very low | 44 | Very low | 31 Ų | 31 | 98.8 Ų | 98.8 | 14% | 0.136 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 174.8 | -169.9 | -87.2 | 0 | 0 | 0 | 111.9 | L41 W47 S48 C49 M138 C140 I146 | L41-F45 WeakPolarHBondContact O-CB 3.45Å; L41-F45 PolarHBondContact O-N 3.25Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 PolarHBondContact O-N 3.24Å; F45-S48 WeakPolarHBondContact CA-OG 3.38Å; F45-S48 PolarHBondContact O-OG 3.42Å; F45-C49 HydrophobicContact CE1-CB 4.36Å; F45-C49 WeakPolarHBondContact O-CB 3.22Å; F45-C49 PolarHBondContact O-N 2.9Å; F45-M138 HydrophobicContact CB-CE 4.17Å; F45-M138 HydrophobicContact CB-SD 4.05Å; F45-M138 HydrophobicContact CD1-CE 4.33Å; F45-M138 HydrophobicContact CD1-CG 3.82Å; F45-M138 HydrophobicContact CD1-SD 3.34Å; F45-M138 WeakPolarHBondContact CD1-SD 3.3Å; F45-M138 HydrophobicContact CD2-CE 3.74Å; F45-M138 HydrophobicContact CD2-CG 4.13Å; F45-M138 HydrophobicContact CD2-SD 3.82Å; F45-M138 HydrophobicContact CE1-CG 3.46Å; F45-M138 VanDerWaalsContact CE1-CG 3.46Å; F45-M138 HydrophobicContact CE1-SD 3.69Å; F45-M138 HydrophobicContact CE2-CB 4.38Å; F45-M138 HydrophobicContact CE2-CE 4.24Å; F45-M138 HydrophobicContact CE2-CG 3.79Å; F45-M138 HydrophobicContact CE2-SD 4.12Å; F45-M138 HydrophobicContact CG-CE 3.8Å; F45-M138 HydrophobicContact CG-CG 4.15Å; F45-M138 HydrophobicContact CG-SD 3.42Å; F45-M138 WeakPolarHBondContact CG-SD 3.48Å; F45-M138 HydrophobicContact CZ-CB 4.34Å; F45-M138 HydrophobicContact CZ-CG 3.46Å; F45-M138 VanDerWaalsContact CZ-CG 3.46Å; F45-M138 HydrophobicContact CZ-SD 4.08Å; F45-C140 HydrophobicContact CE1-CB 4.33Å; F45-C140 HydrophobicContact CZ-CB 4.06Å; F45-I146 HydrophobicContact CD1-CD1 4.31Å; F45-I146 HydrophobicContact CD1-CG1 4.44Å; F45-I146 HydrophobicContact CD1-CG2 4.26Å; F45-I146 HydrophobicContact CE1-CB 4.45Å; F45-I146 HydrophobicContact CE1-CD1 4.42Å; F45-I146 HydrophobicContact CE1-CG1 4.05Å; F45-I146 HydrophobicContact CE1-CG2 3.79Å |
| 46 | Q | 47.8 | Very low | 44 | Very low | 58 Ų | 58 | 90.5 Ų | 90.5 | 27% | 0.271 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -39.2 | 172.9 | -79.1 | 176.8 | -8.2 | 0 | 0 | 112 | R42 K43 K50 I146 | R42-Q46 WeakPolarHBondContact O-CB 3.47Å; R42-Q46 WeakPolarHBondContact O-CG 3.4Å; R42-Q46 PolarHBondContact O-N 2.83Å; K43-Q46 PolarHBondContact O-N 3.04Å; Q46-K50 WeakPolarHBondContact O-CB 3.48Å; Q46-K50 VanDerWaalsContact O-CG 3.26Å; Q46-K50 WeakPolarHBondContact O-CG 3.42Å; Q46-K50 PolarHBondContact O-N 3.48Å; Q46-I146 HydrophobicContact CB-CD1 4.49Å; Q46-I146 HydrophobicContact CG-CD1 3.87Å |
| 47 | W | 49.1 | Very low | 44.8 | Very low | 138 Ų | 138 | 90.1 Ų | 90.1 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -71.8 | -47.1 | 178.7 | -89.9 | 50.3 | 0 | 0 | 0 | 112.4 | L17 K43 L44 F45 C49 K50 I51 | L17-W47 HydrophobicContact CD2-CZ3 4.22Å; K43-W47 WeakPolarHBondContact O-CB 3.42Å; K43-W47 VanDerWaalsContact O-CD1 3.24Å; K43-W47 PolarHBondContact O-N 2.48Å; L44-W47 PolarHBondContact O-N 2.84Å; F45-W47 VanDerWaalsContact C-N 3.28Å; F45-W47 PolarHBondContact O-N 3.24Å; W47-C49 VanDerWaalsContact C-N 3.29Å; W47-C49 PolarHBondContact O-N 3.47Å; W47-K50 WeakPolarHBondContact O-CB 3.39Å; W47-K50 PolarHBondContact O-N 2.89Å; W47-I51 WeakPolarHBondContact O-CG1 3.24Å; W47-I51 PolarHBondContact O-N 3.18Å |
| 48 | S | 48.3 | Very low | 45 | Very low | 55 Ų | 55 | 90.9 Ų | 90.9 | 39% | 0.385 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 175.7 | 64.1 | 0 | 0 | 0 | 0 | 110.6 | L44 F45 K50 I51 S52 | L44-S48 PolarHBondContact O-N 2.93Å; L44-S48 PolarHBondContact O-OG 3.48Å; F45-S48 WeakPolarHBondContact CA-OG 3.38Å; F45-S48 PolarHBondContact O-OG 3.42Å; S48-K50 PolarHBondContact O-N 3.36Å; S48-I51 PolarHBondContact O-N 2.87Å; S48-S52 PolarHBondContact O-N 3.03Å; S48-S52 PolarHBondContact O-OG 3.39Å |
| 49 | C | 40 | Very low | 45.5 | Very low | 1 Ų | 1 | 91.2 Ų | 91.2 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 175.7 | -173.3 | 0 | 0 | 0 | 0 | 112.4 | F45 W47 I51 S52 L53 C140 I146 | F45-C49 HydrophobicContact CE1-CB 4.36Å; F45-C49 WeakPolarHBondContact O-CB 3.22Å; F45-C49 PolarHBondContact O-N 2.9Å; W47-C49 VanDerWaalsContact C-N 3.29Å; W47-C49 PolarHBondContact O-N 3.47Å; C49-I51 VanDerWaalsContact C-N 3.34Å; C49-I51 PolarHBondContact O-N 2.89Å; C49-S52 PolarHBondContact O-N 3.19Å; C49-L53 WeakPolarHBondContact O-CB 3.04Å; C49-L53 VanDerWaalsContact O-CG 3.24Å; C49-L53 WeakPolarHBondContact O-CG 3.35Å; C49-L53 PolarHBondContact O-N 3.18Å; C49-C140 WeakPolarHBondContact CA-SG 3.39Å; C49-C140 HydrophobicContact CB-CB 3.71Å; C49-C140 WeakPolarHBondContact CB-SG 3.31Å; C49-C140 WeakPolarHBondContact SG-CB 3.34Å; C49-C140 CovalentContact SG-SG 2.03Å; C49-C140 PolarHBondContact SG-SG 3.31Å; C49-I146 HydrophobicContact CB-CD1 4.15Å; C49-I146 HydrophobicContact CB-CG1 3.92Å; C49-I146 WeakPolarHBondContact SG-CG1 3.46Å |
| 50 | K | 46.6 | Very low | 45.5 | Very low | 142 Ų | 142 | 89.2 Ų | 89.2 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -61.7 | -40.4 | 171.8 | -82.7 | -179.5 | 177.8 | -169.2 | 0 | 112.4 | Q46 W47 S48 W54 | Q46-K50 WeakPolarHBondContact O-CB 3.48Å; Q46-K50 VanDerWaalsContact O-CG 3.26Å; Q46-K50 WeakPolarHBondContact O-CG 3.42Å; Q46-K50 PolarHBondContact O-N 3.48Å; W47-K50 WeakPolarHBondContact O-CB 3.39Å; W47-K50 PolarHBondContact O-N 2.89Å; S48-K50 PolarHBondContact O-N 3.36Å; K50-W54 VanDerWaalsContact O-CB 3.22Å; K50-W54 WeakPolarHBondContact O-CB 3.06Å; K50-W54 PolarHBondContact O-N 2.84Å |
| 51 | I | 47.3 | Very low | 45.1 | Very low | 97 Ų | 97 | 90.9 Ų | 90.9 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 176.2 | -67.7 | 166 | 0 | 0 | 0 | 110.3 | W47 S48 C49 W54 R55 | W47-I51 WeakPolarHBondContact O-CG1 3.24Å; W47-I51 PolarHBondContact O-N 3.18Å; S48-I51 PolarHBondContact O-N 2.87Å; C49-I51 VanDerWaalsContact C-N 3.34Å; C49-I51 PolarHBondContact O-N 2.89Å; I51-W54 PolarHBondContact O-N 3.48Å; I51-R55 WeakPolarHBondContact O-CB 3.16Å; I51-R55 PolarHBondContact O-N 2.81Å |
| 52 | S | 46.5 | Very low | 45.1 | Very low | 58 Ų | 58 | 90.8 Ų | 90.8 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.2 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | S48 C49 W54 R55 C56 | S48-S52 PolarHBondContact O-N 3.03Å; S48-S52 PolarHBondContact O-OG 3.39Å; C49-S52 PolarHBondContact O-N 3.19Å; S52-W54 VanDerWaalsContact C-N 3.33Å; S52-W54 PolarHBondContact O-N 2.01Å; S52-R55 WeakPolarHBondContact O-CB 3.32Å; S52-R55 PolarHBondContact O-N 3.3Å; S52-C56 PolarHBondContact O-N 2.82Å |
| 53 | L | 41.7 | Very low | 44.9 | Very low | 60 Ų | 60 | 86.8 Ų | 86.8 | 31% | 0.314 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.6 | -73.9 | 167.9 | 0 | 0 | 0 | 111.3 | C49 C56 S57 | C49-L53 WeakPolarHBondContact O-CB 3.04Å; C49-L53 VanDerWaalsContact O-CG 3.24Å; C49-L53 WeakPolarHBondContact O-CG 3.35Å; C49-L53 PolarHBondContact O-N 3.18Å; L53-C56 PolarHBondContact O-N 2.87Å; L53-S57 PolarHBondContact O-N 3.5Å |
| 54 | W | 40.1 | Very low | 44.5 | Very low | 164 Ų | 164 | 86.8 Ų | 86.8 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.6 | -41.7 | 175.6 | -175 | 61 | 0 | 0 | 0 | 111.6 | K50 I51 S52 C56 S57 W58 | K50-W54 VanDerWaalsContact O-CB 3.22Å; K50-W54 WeakPolarHBondContact O-CB 3.06Å; K50-W54 PolarHBondContact O-N 2.84Å; I51-W54 PolarHBondContact O-N 3.48Å; S52-W54 VanDerWaalsContact C-N 3.33Å; S52-W54 PolarHBondContact O-N 2.01Å; W54-C56 PolarHBondContact O-N 2.89Å; W54-S57 WeakPolarHBondContact CA-OG 3Å; W54-S57 CarbonylContact O-C 3.58Å; W54-S57 PolarHBondContact O-N 3.41Å; W54-S57 PolarHBondContact O-OG 3.29Å; W54-W58 HydrophobicContact CZ2-CE3 4.46Å; W54-W58 WeakPolarHBondContact O-CB 3.11Å; W54-W58 PolarHBondContact O-N 2.69Å |
| 55 | R | 41.5 | Very low | 44.2 | Very low | 167 Ų | 167 | 86.8 Ų | 86.8 | 63% | 0.63 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 171.4 | -97.2 | -171.4 | 159.5 | -171.1 | -6.5 | 112 | I51 S52 S57 W58 E59 | I51-R55 WeakPolarHBondContact O-CB 3.16Å; I51-R55 PolarHBondContact O-N 2.81Å; S52-R55 WeakPolarHBondContact O-CB 3.32Å; S52-R55 PolarHBondContact O-N 3.3Å; R55-S57 VanDerWaalsContact C-N 3.32Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-W58 CarbonylContact O-C 2.81Å; R55-W58 WeakPolarHBondContact O-CB 3.14Å; R55-W58 PolarHBondContact O-N 3.44Å; R55-W58 VanDerWaalsContact O-N 3.11Å; R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.33Å; R55-E59 PolarHBondContact O-N 3.02Å |
| 56 | C | 34.3 | Very low | 43.9 | Very low | 38 Ų | 38 | 87.8 Ų | 87.8 | 26% | 0.257 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 175.2 | -81.9 | 0 | 0 | 0 | 0 | 112.7 | S52 L53 W54 W58 S60 C142 | S52-C56 PolarHBondContact O-N 2.82Å; L53-C56 PolarHBondContact O-N 2.87Å; W54-C56 PolarHBondContact O-N 2.89Å; C56-W58 VanDerWaalsContact C-N 3.32Å; C56-S60 WeakPolarHBondContact O-CB 3.02Å; C56-S60 PolarHBondContact O-N 3.02Å; C56-C142 HydrophobicContact CB-CB 3.5Å; C56-C142 VanDerWaalsContact CB-CB 3.5Å; C56-C142 WeakPolarHBondContact CB-SG 3.46Å; C56-C142 WeakPolarHBondContact SG-CB 3.43Å; C56-C142 CovalentContact SG-SG 2.01Å; C56-C142 PolarHBondContact SG-SG 2.94Å |
| 57 | S | 48.1 | Very low | 43.5 | Very low | 62 Ų | 62 | 86.1 Ų | 86.1 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.4 | -35.4 | 172.2 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | L53 W54 R55 F61 | L53-S57 PolarHBondContact O-N 3.5Å; W54-S57 WeakPolarHBondContact CA-OG 3Å; W54-S57 CarbonylContact O-C 3.58Å; W54-S57 PolarHBondContact O-N 3.41Å; W54-S57 PolarHBondContact O-OG 3.29Å; R55-S57 VanDerWaalsContact C-N 3.32Å; R55-S57 PolarHBondContact O-N 3.33Å; S57-F61 WeakPolarHBondContact O-CB 3.28Å; S57-F61 PolarHBondContact O-N 3.31Å |
| 58 | W | 43.7 | Very low | 42.8 | Very low | 120 Ų | 120 | 85.3 Ų | 85.3 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 177.7 | -170.7 | -91.4 | 0 | 0 | 0 | 111.4 | W54 R55 C56 S60 F61 E62 | W54-W58 HydrophobicContact CZ2-CE3 4.46Å; W54-W58 WeakPolarHBondContact O-CB 3.11Å; W54-W58 PolarHBondContact O-N 2.69Å; R55-W58 CarbonylContact O-C 2.81Å; R55-W58 WeakPolarHBondContact O-CB 3.14Å; R55-W58 PolarHBondContact O-N 3.44Å; R55-W58 VanDerWaalsContact O-N 3.11Å; C56-W58 VanDerWaalsContact C-N 3.32Å; W58-S60 VanDerWaalsContact C-N 3.34Å; W58-F61 CarbonylContact O-C 3.56Å; W58-F61 PolarHBondContact O-N 3.26Å; W58-E62 VanDerWaalsContact CD1-CD 3.49Å; W58-E62 PolarHBondContact NE1-OE1 3.19Å; W58-E62 WeakPolarHBondContact O-CB 3.47Å; W58-E62 WeakPolarHBondContact O-CG 3.26Å; W58-E62 PolarHBondContact O-N 2.99Å |
| 59 | E | 48.4 | Very low | 42.2 | Very low | 111 Ų | 111 | 89.7 Ų | 89.7 | 52% | 0.519 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 173.2 | -72.6 | 173.6 | -175.5 | 0 | 0 | 111.2 | R55 A63 | R55-E59 WeakPolarHBondContact O-CB 3.45Å; R55-E59 WeakPolarHBondContact O-CG 3.33Å; R55-E59 PolarHBondContact O-N 3.02Å; E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 2.94Å |
| 60 | S | 45.1 | Very low | 41.9 | Very low | 63 Ų | 63 | 93.2 Ų | 93.2 | 44% | 0.441 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 172.7 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | C56 W58 A63 E64 | C56-S60 WeakPolarHBondContact O-CB 3.02Å; C56-S60 PolarHBondContact O-N 3.02Å; W58-S60 VanDerWaalsContact C-N 3.34Å; S60-A63 PolarHBondContact O-N 2.8Å; S60-E64 WeakPolarHBondContact O-CB 3.34Å; S60-E64 WeakPolarHBondContact O-CG 3.46Å; S60-E64 PolarHBondContact O-N 3.12Å |
| 61 | F | 37.7 | Very low | 41.2 | Very low | 101 Ų | 101 | 94.2 Ų | 94.2 | 44% | 0.443 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.5 | -40.6 | 176.9 | -176.7 | -106.6 | 0 | 0 | 0 | 112.1 | S57 W58 A63 E64 I65 | S57-F61 WeakPolarHBondContact O-CB 3.28Å; S57-F61 PolarHBondContact O-N 3.31Å; W58-F61 CarbonylContact O-C 3.56Å; W58-F61 PolarHBondContact O-N 3.26Å; F61-A63 VanDerWaalsContact C-N 3.31Å; F61-E64 PolarHBondContact O-N 3.47Å; F61-I65 HydrophobicContact CD1-CD1 3.86Å; F61-I65 HydrophobicContact CE1-CD1 3.32Å; F61-I65 HydrophobicContact CE1-CG1 4.33Å; F61-I65 HydrophobicContact CE2-CD1 4.28Å; F61-I65 HydrophobicContact CZ-CD1 3.57Å; F61-I65 HydrophobicContact CZ-CG1 4.34Å; F61-I65 WeakPolarHBondContact O-CG1 3.34Å; F61-I65 PolarHBondContact O-N 2.94Å |
| 62 | E | 46.1 | Very low | 40.5 | Very low | 104 Ų | 104 | 96.6 Ų | 96.6 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 170.9 | -78.2 | -176.1 | 163.4 | 0 | 0 | 111 | W58 I65 A66 | W58-E62 VanDerWaalsContact CD1-CD 3.49Å; W58-E62 PolarHBondContact NE1-OE1 3.19Å; W58-E62 WeakPolarHBondContact O-CB 3.47Å; W58-E62 WeakPolarHBondContact O-CG 3.26Å; W58-E62 PolarHBondContact O-N 2.99Å; E62-I65 PolarHBondContact O-N 3.42Å; E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.27Å |
| 63 | A | 45.3 | Very low | 39.6 | Very low | 61 Ų | 61 | 99.2 Ų | 99.2 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.9 | -33.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E59 S60 F61 G67 | E59-A63 WeakPolarHBondContact O-CB 3.49Å; E59-A63 PolarHBondContact O-N 2.94Å; S60-A63 PolarHBondContact O-N 2.8Å; F61-A63 VanDerWaalsContact C-N 3.31Å; A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.36Å |
| 64 | E | 39.4 | Very low | 39 | Very low | 119 Ų | 119 | 102.2 Ų | 102.2 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -69.2 | -40.8 | 171.8 | -80.8 | 177.4 | -173.3 | 0 | 0 | 111.4 | S60 F61 G67 L68 | S60-E64 WeakPolarHBondContact O-CB 3.34Å; S60-E64 WeakPolarHBondContact O-CG 3.46Å; S60-E64 PolarHBondContact O-N 3.12Å; F61-E64 PolarHBondContact O-N 3.47Å; E64-G67 CarbonylContact O-C 3.6Å; E64-G67 PolarHBondContact O-N 3.41Å; E64-L68 WeakPolarHBondContact O-CB 3.19Å; E64-L68 WeakPolarHBondContact O-CD1 2.98Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.28Å |
| 65 | I | 43.3 | Very low | 38.4 | Very low | 73 Ų | 73 | 101 Ų | 101 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.9 | -45.3 | 174.3 | -69.8 | 179.4 | 0 | 0 | 0 | 110.7 | F61 E62 G67 L68 E69 | F61-I65 HydrophobicContact CD1-CD1 3.86Å; F61-I65 HydrophobicContact CE1-CD1 3.32Å; F61-I65 HydrophobicContact CE1-CG1 4.33Å; F61-I65 HydrophobicContact CE2-CD1 4.28Å; F61-I65 HydrophobicContact CZ-CD1 3.57Å; F61-I65 HydrophobicContact CZ-CG1 4.34Å; F61-I65 WeakPolarHBondContact O-CG1 3.34Å; F61-I65 PolarHBondContact O-N 2.94Å; E62-I65 PolarHBondContact O-N 3.42Å; I65-G67 VanDerWaalsContact C-N 3.26Å; I65-G67 PolarHBondContact O-N 3.42Å; I65-L68 WeakPolarHBondContact O-CB 2.78Å; I65-L68 PolarHBondContact O-N 2.85Å; I65-E69 WeakPolarHBondContact O-CG 3.25Å; I65-E69 PolarHBondContact O-N 3.44Å |
| 66 | A | 41.6 | Very low | 37.7 | Very low | 51 Ų | 51 | 101.6 Ų | 101.6 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -30.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E62 S70 | E62-A66 WeakPolarHBondContact O-CB 3.42Å; E62-A66 PolarHBondContact O-N 3.27Å; A66-S70 WeakPolarHBondContact O-CB 3.42Å; A66-S70 PolarHBondContact O-N 3.4Å; A66-S70 PolarHBondContact O-OG 2.85Å |
| 67 | G | 39 | Very low | 37.3 | Very low | 23 Ų | 23 | 104.8 Ų | 104.8 | 24% | 0.237 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -69.1 | -35.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A63 E64 I65 S70 Q71 | A63-G67 WeakPolarHBondContact O-CA 3.37Å; A63-G67 PolarHBondContact O-N 3.36Å; E64-G67 CarbonylContact O-C 3.6Å; E64-G67 PolarHBondContact O-N 3.41Å; I65-G67 VanDerWaalsContact C-N 3.26Å; I65-G67 PolarHBondContact O-N 3.42Å; G67-S70 WeakPolarHBondContact CA-OG 3.46Å; G67-S70 PolarHBondContact O-OG 3.11Å; G67-Q71 WeakPolarHBondContact O-CG 3.49Å; G67-Q71 PolarHBondContact O-N 3.43Å |
| 68 | L | 34.1 | Very low | 36.3 | Very low | 121 Ų | 121 | 109.9 Ų | 109.9 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.9 | -35.2 | 172.6 | -84.2 | 153.5 | 0 | 0 | 0 | 112.1 | E64 I65 | E64-L68 WeakPolarHBondContact O-CB 3.19Å; E64-L68 WeakPolarHBondContact O-CD1 2.98Å; E64-L68 WeakPolarHBondContact O-CG 3.32Å; E64-L68 PolarHBondContact O-N 3.28Å; I65-L68 WeakPolarHBondContact O-CB 2.78Å; I65-L68 PolarHBondContact O-N 2.85Å |
| 69 | E | 35.7 | Very low | 35.3 | Very low | 148 Ų | 148 | 110.3 Ų | 110.3 | 69% | 0.692 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.7 | -29.4 | 175.4 | -71.7 | -175.8 | 160.5 | 0 | 0 | 112.9 | I65 | I65-E69 WeakPolarHBondContact O-CG 3.25Å; I65-E69 PolarHBondContact O-N 3.44Å |
| 70 | S | 34.7 | Very low | 34.2 | Very low | 74 Ų | 74 | 108.9 Ų | 108.9 | 52% | 0.517 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -81.8 | -12.5 | 178.6 | 57 | 0 | 0 | 0 | 0 | 114.8 | A66 G67 I72 C73 | A66-S70 WeakPolarHBondContact O-CB 3.42Å; A66-S70 PolarHBondContact O-N 3.4Å; A66-S70 PolarHBondContact O-OG 2.85Å; G67-S70 WeakPolarHBondContact CA-OG 3.46Å; G67-S70 PolarHBondContact O-OG 3.11Å; S70-I72 PolarHBondContact O-N 3.12Å; S70-C73 PolarHBondContact O-N 3.48Å |
| 71 | Q | 31.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 112.4 Ų | 112.4 | 76% | 0.762 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 1 | 171.9 | -76.7 | 177.1 | 22.3 | 0 | 0 | 114 | G67 | G67-Q71 WeakPolarHBondContact O-CG 3.49Å; G67-Q71 PolarHBondContact O-N 3.43Å |
| 72 | I | 32.8 | Very low | 32.4 | Very low | 147 Ų | 147 | 114.3 Ų | 114.3 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -5.6 | 175.1 | -68.8 | 172.6 | 0 | 0 | 0 | 112.6 | S70 | S70-I72 PolarHBondContact O-N 3.12Š|
| 73 | C | 27.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 120.7 Ų | 120.7 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -116.2 | 102.2 | 174.8 | -85.9 | 0 | 0 | 0 | 0 | 112.3 | S70 | S70-C73 PolarHBondContact O-N 3.48Š|
| 74 | V | 29.3 | Very low | 30.5 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 75% | 0.745 | 68% | 0.679 | S | S | * | * | trans | -56.7 | 136.8 | 167.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 75 | N | 27 | Very low | 29.9 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | 59.2 | 104.4 | 157.9 | -68.4 | -17.1 | 0 | 0 | 0 | 118.3 | ||||
| 76 | E | 27.2 | Very low | 29.1 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | 166.6 | 117.1 | 116.1 | -88.1 | 171.5 | -172.1 | 0 | 0 | 111.8 | |||||
| 77 | S | 25.9 | Very low | 28.3 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 44.5 | 95.1 | 152.1 | 63.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 78 | I | 26.4 | Very low | 27.6 | Very low | 169 Ų | 169 | 137 Ų | 137 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | trans | -137.8 | 87.6 | 148.6 | -55.6 | -179.2 | 0 | 0 | 0 | 109.4 | ||||
| 79 | T | 24.1 | Very low | 27.2 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -79.1 | 139.8 | 160.6 | -10.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 80 | S | 24.6 | Very low | 26.7 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | trans | 91.6 | 93.7 | 166.7 | 78.9 | 0 | 0 | 0 | 0 | 118.1 | L82 | S80-L82 PolarHBondContact O-N 2.88Š| ||
| 81 | C | 21.8 | Very low | 26.3 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 93% | 0.926 | 77% | 0.771 | S | S | * | * | trans | -63.9 | 89.7 | 147 | -61.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 82 | L | 23.8 | Very low | 26.1 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -87.9 | 100.6 | 168.1 | -76.6 | 161.9 | 0 | 0 | 0 | 108 | S80 P84 | S80-L82 PolarHBondContact O-N 2.88Å; L82-P84 WeakPolarHBondContact O-CD 3.4Å | ||
| 83 | W | 26.5 | Very low | 25.7 | Very low | 237 Ų | 237 | 135.3 Ų | 135.3 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | -55.8 | 122 | 150.1 | -88.3 | 56.3 | 0 | 0 | 0 | 106.6 | K85 | W83-K85 PolarHBondContact O-N 3.41Š| ||
| 84 | P | 25.3 | Very low | 25.7 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | -63.2 | 129 | 178.3 | 23.9 | -30.1 | 0 | 0 | 0 | 108.6 | L82 I86 | L82-P84 WeakPolarHBondContact O-CD 3.4Å; P84-I86 PolarHBondContact O-N 3.25Å | ||
| 85 | K | 25 | Very low | 25.6 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | trans | -43 | 125.5 | 156.8 | -79.2 | 175.2 | 172.1 | 176.4 | 0 | 107.1 | W83 P87 | W83-K85 PolarHBondContact O-N 3.41Å; K85-P87 WeakPolarHBondContact O-CD 3.41Å | ||
| 86 | I | 26.5 | Very low | 25.5 | Very low | 171 Ų | 171 | 139.6 Ų | 139.6 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -86.9 | 105.4 | 168.4 | -60.2 | 172.1 | 0 | 0 | 0 | 107 | P84 | P84-I86 PolarHBondContact O-N 3.25Š| ||
| 87 | P | 24.9 | Very low | 25.6 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | trans | -111.6 | 135.6 | 157.8 | 36.3 | -32 | 0 | 0 | 0 | 111 | K85 | K85-P87 WeakPolarHBondContact O-CD 3.41Š| ||
| 88 | S | 25.5 | Very low | 25.6 | Very low | 95 Ų | 95 | 139.5 Ų | 139.5 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 42.8 | 110 | 159.2 | 61.3 | 0 | 0 | 0 | 0 | 118.2 | ||
| 89 | N | 24.8 | Very low | 25.6 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | trans | 110.5 | 86.3 | 151.5 | -46.5 | -24 | 0 | 0 | 0 | 116.5 | ||||
| 90 | C | 24.7 | Very low | 25.5 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | trans | 38.9 | 127.4 | 143.9 | -54.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 91 | L | 28 | Very low | 25.7 | Very low | 158 Ų | 158 | 138 Ų | 138 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | -112.8 | 111.8 | 159.6 | -148.1 | 109.2 | 0 | 0 | 0 | 108.4 | ||||
| 92 | S | 26.4 | Very low | 26 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | trans | -105.8 | 134.9 | 179.9 | 175.2 | 0 | 0 | 0 | 0 | 111 | F94 | S92-F94 WeakPolarHBondContact OG-CD2 3.38Å; S92-F94 WeakPolarHBondContact OG-CE2 3.16Å | ||
| 93 | I | 25.7 | Very low | 26.2 | Very low | 129 Ų | 129 | 140 Ų | 140 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | trans | -117.4 | 107.7 | 167.2 | -57.4 | 176.2 | 0 | 0 | 0 | 106.8 | F95 | I93-F95 HydrophobicContact CG2-CD2 4.41Å; I93-F95 HydrophobicContact CG2-CE2 3.94Å | ||
| 94 | F | 26.1 | Very low | 26.3 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | trans | -84.8 | 130.1 | 177.5 | -83 | -89.5 | 0 | 0 | 0 | 111.2 | S92 | S92-F94 WeakPolarHBondContact OG-CD2 3.38Å; S92-F94 WeakPolarHBondContact OG-CE2 3.16Å | ||
| 95 | F | 27 | Very low | 26.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | -110.5 | 117.2 | 160.5 | -74.6 | -88.4 | 0 | 0 | 0 | 108.3 | I93 W97 | I93-F95 HydrophobicContact CG2-CD2 4.41Å; I93-F95 HydrophobicContact CG2-CE2 3.94Å; F95-W97 PolarHBondContact O-N 3.06Å | ||
| 96 | S | 25.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 123.5 Ų | 123.5 | 87% | 0.867 | 69% | 0.691 | S | S | * | * | trans | -76.9 | 101.9 | 173.5 | 54.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 97 | W | 28.8 | Very low | 26.7 | Very low | 177 Ų | 177 | 119.1 Ų | 119.1 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | -100 | 136.9 | 172.2 | -79.1 | 50.8 | 0 | 0 | 0 | 110.3 | F95 | F95-W97 PolarHBondContact O-N 3.06Š| ||
| 98 | P | 26.5 | Very low | 27 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 69% | 0.688 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -87 | 130.3 | 156.8 | 33.1 | -23.3 | 0 | 0 | 0 | 108.1 | ||
| 99 | V | 25.4 | Very low | 27.6 | Very low | 123 Ų | 123 | 118.1 Ų | 118.1 | 75% | 0.745 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 90.9 | 105 | 171.6 | -161.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 100 | C | 23.4 | Very low | 28.2 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 47.5 | 87.2 | 154.8 | -57.4 | 0 | 0 | 0 | 0 | 119.7 | ||
| 101 | S | 28.8 | Very low | 28.8 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | 140.7 | 117.2 | 140.7 | 66.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 102 | E | 26.6 | Very low | 29.3 | Very low | 183 Ų | 183 | 114.7 Ų | 114.7 | 86% | 0.855 | 63% | 0.627 | S | S | * | * | trans | -68.9 | 128 | -179.8 | -64.7 | 176 | 161.8 | 0 | 0 | 110.5 | V104 | E102-V104 HydrophobicContact CB-CG2 3.81Š| ||
| 103 | L | 29.1 | Very low | 30 | Very low | 136 Ų | 136 | 116.4 Ų | 116.4 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | trans | -91.5 | 119.6 | 167.3 | -166.9 | 92.5 | 0 | 0 | 0 | 107.6 | ||||
| 104 | V | 27.6 | Very low | 30.8 | Very low | 71 Ų | 71 | 119.8 Ų | 119.8 | 43% | 0.43 | 63% | 0.631 | S | S | . | * | trans | -118.6 | 129.7 | -169.8 | -159.4 | 0 | 0 | 0 | 0 | 103 | E102 A125 L126 | E102-V104 HydrophobicContact CB-CG2 3.81Å; V104-A125 VanDerWaalsContact CA-CB 3.42Å; V104-A125 VanDerWaalsContact CB-CA 3.4Å; V104-A125 HydrophobicContact CB-CB 3.34Å; V104-A125 VanDerWaalsContact CG1-CA 3.49Å; V104-A125 HydrophobicContact CG1-CB 2.96Å; V104-A125 CarbonylContact O-C 2.75Å; V104-A125 WeakPolarHBondContact O-CA 3.13Å; V104-A125 WeakPolarHBondContact O-CB 3.35Å; V104-L126 WeakPolarHBondContact O-CA 3.38Å; V104-L126 PolarHBondContact O-N 2.8Å | ||
| 105 | V | 28.2 | Very low | 31.5 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 51% | 0.509 | 61% | 0.614 | S | S | . | * | trans | -120.2 | 131.5 | 170.2 | -176.2 | 0 | 0 | 0 | 0 | 116.1 | A125 | V105-A125 CarbonylContact C-O 3.59Å; V105-A125 WeakPolarHBondContact CA-O 3.37Å; V105-A125 PolarHBondContact N-O 3.3Å; V105-A125 WeakPolarHBondContact O-CB 3.21Å | ||
| 106 | C | 28.1 | Very low | 32.2 | Very low | 42 Ų | 42 | 114 Ų | 114 | 28% | 0.284 | 62% | 0.621 | S | S | . | * | trans | 166.1 | 161 | -169 | -72.5 | 0 | 0 | 0 | 0 | 114.9 | M124 A125 L126 | C106-M124 HydrophobicContact CB-CB 2.97Å; C106-M124 HydrophobicContact CB-CG 3.1Å; C106-M124 HydrophobicContact CB-SD 3.55Å; C106-M124 VanDerWaalsContact CB-SD 3.55Å; C106-A125 WeakPolarHBondContact CA-O 3.33Å; C106-A125 HydrophobicContact CB-CB 3.56Å; C106-A125 PolarHBondContact N-O 3.46Å; C106-A125 VanDerWaalsContact SG-CB 3.54Å; C106-L126 WeakPolarHBondContact O-CD1 3.49Å; C106-L126 WeakPolarHBondContact O-CG 3.38Å | ||
| 107 | A | 28.8 | Very low | 33 | Very low | 79 Ų | 79 | 112.7 Ų | 112.7 | 65% | 0.653 | 61% | 0.612 | S | S | * | * | trans | -115.4 | 95.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | M124 | A107-M124 VanDerWaalsContact CA-SD 3.58Å; A107-M124 HydrophobicContact CB-SD 4.39Å; A107-M124 PolarHBondContact N-SD 3.43Å | ||
| 108 | N | 32.5 | Very low | 33.3 | Very low | 80 Ų | 80 | 108.1 Ų | 108.1 | 43% | 0.428 | 60% | 0.603 | S | S | . | * | trans | -167 | 118.9 | 154.3 | -131.5 | -4.4 | 0 | 0 | 0 | 110.1 | M124 | N108-M124 HydrophobicContact CB-SD 4.28Š| ||
| 109 | V | 38 | Very low | 33.9 | Very low | 92 Ų | 92 | 104.1 Ų | 104.1 | 56% | 0.558 | 58% | 0.577 | S | S | * | * | trans | -90.3 | -5.2 | -165.9 | -173.9 | 0 | 0 | 0 | 0 | 113.3 | Y111 L112 V151 | V109-Y111 VanDerWaalsContact C-N 3.27Å; V109-Y111 PolarHBondContact O-N 3.24Å; V109-Y111 VanDerWaalsContact O-N 3.15Å; V109-L112 HydrophobicContact CG1-CD1 4.47Å; V109-V151 HydrophobicContact CG1-CG1 4.2Å | ||
| 110 | E | 36.4 | Very low | 34.5 | Very low | 154 Ų | 154 | 101.8 Ų | 101.8 | 72% | 0.72 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -74.5 | -1 | -171.7 | -71.2 | -176.9 | 156.6 | 0 | 0 | 115.8 | ||
| 111 | Y | 38.3 | Very low | 35 | Very low | 131 Ų | 131 | 97.2 Ų | 97.2 | 51% | 0.514 | 53% | 0.533 | S | S | . | . | trans | -137.1 | 54.2 | -171.2 | -64.2 | -82.1 | 0 | 0 | 0 | 114.7 | V109 | V109-Y111 VanDerWaalsContact C-N 3.27Å; V109-Y111 PolarHBondContact O-N 3.24Å; V109-Y111 VanDerWaalsContact O-N 3.15Å | ||
| 112 | L | 38.7 | Very low | 35.4 | Very low | 53 Ų | 53 | 100.7 Ų | 100.7 | 28% | 0.277 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 101.3 | 172.5 | -76.4 | 162.2 | 0 | 0 | 0 | 110.9 | V109 L128 V151 | V109-L112 HydrophobicContact CG1-CD1 4.47Å; L112-L128 HydrophobicContact CD2-CD1 3.61Å; L112-V151 HydrophobicContact CD1-CB 4.04Å; L112-V151 HydrophobicContact CD1-CG1 3.23Å; L112-V151 HydrophobicContact CD1-CG2 4.11Å |
| 113 | E | 41.2 | Very low | 35.6 | Very low | 115 Ų | 115 | 97.9 Ų | 97.9 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.2 | 169 | -73.2 | 179.4 | 167.1 | 0 | 0 | 109.7 | R122 | E113-R122 IonicContact OE1-NH2 3.44Å; E113-R122 IonicContact OE2-CZ 3.75Å; E113-R122 VanDerWaalsContact OE2-CZ 3.31Å; E113-R122 IonicContact OE2-NE 2.69Å; E113-R122 PolarHBondContact OE2-NE 3.4Å; E113-R122 IonicContact OE2-NH2 3.31Å; E113-R122 PolarHBondContact OE2-NH2 2.89Å |
| 114 | R | 41.5 | Very low | 35.7 | Very low | 199 Ų | 199 | 93.8 Ų | 93.8 | 75% | 0.751 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 118.5 | 173 | -177.9 | -179.2 | 178.7 | 173.1 | 2.7 | 109 | ||
| 115 | S | 41.2 | Very low | 36 | Very low | 69 Ų | 69 | 90.6 Ų | 90.6 | 48% | 0.483 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 119.7 | 169.6 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | S117 V118 | S115-S117 PolarHBondContact O-N 2.86Å; S115-S117 VanDerWaalsContact O-N 3.11Å; S115-V118 PolarHBondContact N-O 3.01Å; S115-V118 PolarHBondContact O-N 3.45Å |
| 116 | D | 41.1 | Very low | 36.4 | Very low | 149 Ų | 149 | 89.2 Ų | 89.2 | 80% | 0.797 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 34.9 | 61.9 | 167.9 | -63.2 | -25.4 | 0 | 0 | 0 | 115.7 | V118 | D116-V118 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 3.02Å |
| 117 | S | 42.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 89.3 Ų | 89.3 | 68% | 0.678 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 12 | 179.2 | 65.6 | 0 | 0 | 0 | 0 | 117.6 | S115 | S115-S117 PolarHBondContact O-N 2.86Å; S115-S117 VanDerWaalsContact O-N 3.11Å |
| 118 | V | 35.5 | Very low | 37.9 | Very low | 81 Ų | 81 | 87.3 Ų | 87.3 | 49% | 0.491 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.5 | 177.5 | -170.5 | 0 | 0 | 0 | 0 | 110.5 | S115 D116 V120 | S115-V118 PolarHBondContact N-O 3.01Å; S115-V118 PolarHBondContact O-N 3.45Å; D116-V118 VanDerWaalsContact C-N 3.34Å; D116-V118 PolarHBondContact O-N 3.02Å; V118-V120 HydrophobicContact CB-CG2 4.38Å; V118-V120 HydrophobicContact CG1-CG2 3.77Å |
| 119 | C | 38.9 | Very low | 38.6 | Very low | 21 Ų | 21 | 86.1 Ų | 86.1 | 14% | 0.142 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 113.4 | 170.1 | -52.6 | 0 | 0 | 0 | 0 | 108.2 | L128 C135 | C119-L128 HydrophobicContact CB-CB 4.1Å; C119-L128 HydrophobicContact CB-CD1 3.57Å; C119-L128 HydrophobicContact CB-CG 4.41Å; C119-C135 HydrophobicContact CB-CB 3.89Å; C119-C135 WeakPolarHBondContact CB-SG 3.42Å; C119-C135 WeakPolarHBondContact SG-CB 3.46Å; C119-C135 CovalentContact SG-SG 2.01Å; C119-C135 PolarHBondContact SG-SG 3.46Å |
| 120 | V | 37.8 | Very low | 39 | Very low | 75 Ų | 75 | 85.3 Ų | 85.3 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.3 | -179 | -171.5 | 0 | 0 | 0 | 0 | 108.2 | V118 | V118-V120 HydrophobicContact CB-CG2 4.38Å; V118-V120 HydrophobicContact CG1-CG2 3.77Å |
| 121 | S | 34.9 | Very low | 39.6 | Very low | 22 Ų | 22 | 79.8 Ų | 79.8 | 15% | 0.154 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.7 | 167.8 | 171 | 0 | 0 | 0 | 0 | 108.3 | E123 M124 | S121-E123 PolarHBondContact O-N 3.2Å; S121-M124 VanDerWaalsContact CB-C 3.47Å; S121-M124 VanDerWaalsContact CB-O 3.28Å; S121-M124 WeakPolarHBondContact CB-O 3.45Å; S121-M124 WeakPolarHBondContact OG-CA 3.45Å; S121-M124 PolarHBondContact OG-N 3.43Å; S121-M124 PolarHBondContact OG-O 2.9Å |
| 122 | R | 36.3 | Very low | 40.4 | Very low | 181 Ų | 181 | 83.1 Ų | 83.1 | 68% | 0.683 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -70.5 | -16.8 | -171.5 | -74.9 | -169.8 | 178.7 | -170.7 | 3.7 | 114.9 | E113 | E113-R122 IonicContact OE1-NH2 3.44Å; E113-R122 IonicContact OE2-CZ 3.75Å; E113-R122 VanDerWaalsContact OE2-CZ 3.31Å; E113-R122 IonicContact OE2-NE 2.69Å; E113-R122 PolarHBondContact OE2-NE 3.4Å; E113-R122 IonicContact OE2-NH2 3.31Å; E113-R122 PolarHBondContact OE2-NH2 2.89Å |
| 123 | E | 31.2 | Very low | 41.1 | Very low | 124 Ų | 124 | 87.8 Ų | 87.8 | 58% | 0.579 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -119.2 | -20.7 | -179 | -62.5 | -167.3 | 148.6 | 0 | 0 | 111.1 | S121 | S121-E123 PolarHBondContact O-N 3.2Š|
| 124 | M | 31.9 | Very low | 41.9 | Very low | 50 Ų | 50 | 83.5 Ų | 83.5 | 25% | 0.246 | 44% | 0.436 | C | S | . | . | trans | -166.8 | 62.5 | -151.3 | -73.5 | -147.9 | 174.3 | 0 | 0 | 113.3 | C106 A107 N108 S121 L126 | C106-M124 HydrophobicContact CB-CB 2.97Å; C106-M124 HydrophobicContact CB-CG 3.1Å; C106-M124 HydrophobicContact CB-SD 3.55Å; C106-M124 VanDerWaalsContact CB-SD 3.55Å; A107-M124 VanDerWaalsContact CA-SD 3.58Å; A107-M124 HydrophobicContact CB-SD 4.39Å; A107-M124 PolarHBondContact N-SD 3.43Å; N108-M124 HydrophobicContact CB-SD 4.28Å; S121-M124 VanDerWaalsContact CB-C 3.47Å; S121-M124 VanDerWaalsContact CB-O 3.28Å; S121-M124 WeakPolarHBondContact CB-O 3.45Å; S121-M124 WeakPolarHBondContact OG-CA 3.45Å; S121-M124 PolarHBondContact OG-N 3.43Å; S121-M124 PolarHBondContact OG-O 2.9Å; M124-L126 PolarHBondContact O-N 3.32Å | ||
| 125 | A | 32.5 | Very low | 42.2 | Very low | 5 Ų | 5 | 74.8 Ų | 74.8 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | 43.8 | 89.5 | 113.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | V104 V105 C106 | V104-A125 VanDerWaalsContact CA-CB 3.42Å; V104-A125 VanDerWaalsContact CB-CA 3.4Å; V104-A125 HydrophobicContact CB-CB 3.34Å; V104-A125 VanDerWaalsContact CG1-CA 3.49Å; V104-A125 HydrophobicContact CG1-CB 2.96Å; V104-A125 CarbonylContact O-C 2.75Å; V104-A125 WeakPolarHBondContact O-CA 3.13Å; V104-A125 WeakPolarHBondContact O-CB 3.35Å; V105-A125 CarbonylContact C-O 3.59Å; V105-A125 WeakPolarHBondContact CA-O 3.37Å; V105-A125 PolarHBondContact N-O 3.3Å; V105-A125 WeakPolarHBondContact O-CB 3.21Å; C106-A125 WeakPolarHBondContact CA-O 3.33Å; C106-A125 HydrophobicContact CB-CB 3.56Å; C106-A125 PolarHBondContact N-O 3.46Å; C106-A125 VanDerWaalsContact SG-CB 3.54Å | |||
| 126 | L | 37.5 | Very low | 42.5 | Very low | 55 Ų | 55 | 73.5 Ų | 73.5 | 29% | 0.288 | 39% | 0.392 | S | S | . | . | trans | -141.4 | 153.7 | 163.2 | -89.8 | 153.9 | 0 | 0 | 0 | 106.9 | V104 C106 M124 L128 L137 | V104-L126 WeakPolarHBondContact O-CA 3.38Å; V104-L126 PolarHBondContact O-N 2.8Å; C106-L126 WeakPolarHBondContact O-CD1 3.49Å; C106-L126 WeakPolarHBondContact O-CG 3.38Å; M124-L126 PolarHBondContact O-N 3.32Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 PolarHBondContact O-N 2.93Å; L126-L137 HydrophobicContact CB-CD1 3.84Å; L126-L137 HydrophobicContact CD1-CD1 3.49Å; L126-L137 VanDerWaalsContact CD1-CD1 3.49Å; L126-L137 HydrophobicContact CD2-CD1 4.38Å; L126-L137 HydrophobicContact CG-CD1 4.04Å | ||
| 127 | P | 42 | Very low | 42.8 | Very low | 43 Ų | 43 | 68.2 Ų | 68.2 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | trans | -66.1 | 95.6 | 169.6 | 27.4 | -30.8 | 0 | 0 | 0 | 108.6 | M138 | P127-M138 PolarHBondContact O-N 3.27Š| ||
| 128 | L | 45.6 | Very low | 43 | Very low | 38 Ų | 38 | 64.7 Ų | 64.7 | 20% | 0.199 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.7 | 174.5 | -67 | 165.1 | 0 | 0 | 0 | 108 | L112 C119 L126 C135 E136 L137 V151 | L112-L128 HydrophobicContact CD2-CD1 3.61Å; C119-L128 HydrophobicContact CB-CB 4.1Å; C119-L128 HydrophobicContact CB-CD1 3.57Å; C119-L128 HydrophobicContact CB-CG 4.41Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 PolarHBondContact O-N 2.93Å; L128-C135 HydrophobicContact CD2-CB 4.47Å; L128-E136 WeakPolarHBondContact CA-O 3.21Å; L128-L137 HydrophobicContact CD2-CD1 3.99Å; L128-V151 HydrophobicContact CD2-CG2 4.49Å |
| 129 | M | 47.4 | Very low | 43.5 | Very low | 54 Ų | 54 | 65.8 Ų | 65.8 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 127.3 | 167.6 | -173 | 175.5 | -61.5 | 0 | 0 | 108.1 | T131 E136 M138 L148 | M129-T131 HydrophobicContact CG-CG2 4.18Å; M129-T131 PolarHBondContact O-N 3.13Å; M129-T131 HydrophobicContact SD-CG2 4.4Å; M129-E136 HydrophobicContact CB-CB 4.44Å; M129-E136 PolarHBondContact N-O 3.27Å; M129-E136 PolarHBondContact O-N 2.84Å; M129-M138 HydrophobicContact CE-CE 3.71Å; M129-M138 HydrophobicContact CE-SD 3.63Å; M129-L148 HydrophobicContact CE-CD2 4.42Å |
| 130 | V | 46.7 | Very low | 43.5 | Very low | 76 Ų | 76 | 66.9 Ų | 66.9 | 46% | 0.461 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 113.8 | 172.2 | -175 | 0 | 0 | 0 | 0 | 107.4 | ||
| 131 | T | 50.3 | Low | 43.6 | Very low | 37 Ų | 37 | 64 Ų | 64 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | trans | -102.9 | 174.5 | 173.1 | 70.3 | 0 | 0 | 0 | 0 | 110.3 | M129 D133 G134 E136 | M129-T131 HydrophobicContact CG-CG2 4.18Å; M129-T131 PolarHBondContact O-N 3.13Å; M129-T131 HydrophobicContact SD-CG2 4.4Å; T131-D133 PolarHBondContact O-N 3.02Å; T131-D133 PolarHBondContact OG1-N 3.42Å; T131-G134 PolarHBondContact N-O 3Å; T131-G134 PolarHBondContact OG1-N 3.41Å; T131-G134 PolarHBondContact OG1-O 3.5Å; T131-E136 HydrophobicContact CG2-CB 4.29Å; T131-E136 HydrophobicContact CG2-CG 3.78Å; T131-E136 WeakPolarHBondContact CG2-OE1 3.45Å; T131-E136 PolarHBondContact OG1-OE1 3Å | ||
| 132 | K | 54.6 | Low | 43.7 | Very low | 201 Ų | 201 | 65.9 Ų | 65.9 | 87% | 0.874 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.2 | -24.8 | 175.2 | -71.7 | -176.4 | 177.2 | 179.6 | 0 | 112.3 | ||
| 133 | D | 53.3 | Low | 43.5 | Very low | 152 Ų | 152 | 65.6 Ų | 65.6 | 81% | 0.813 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -102.4 | -13.8 | -170.7 | -56.9 | -50.9 | 0 | 0 | 0 | 113.1 | T131 | T131-D133 PolarHBondContact O-N 3.02Å; T131-D133 PolarHBondContact OG1-N 3.42Å |
| 134 | G | 57.3 | Low | 43.7 | Very low | 24 Ų | 24 | 63.5 Ų | 63.5 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 159.9 | -155.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | T131 | T131-G134 PolarHBondContact N-O 3Å; T131-G134 PolarHBondContact OG1-N 3.41Å; T131-G134 PolarHBondContact OG1-O 3.5Å |
| 135 | C | 47.1 | Very low | 44 | Very low | 17 Ų | 17 | 62.3 Ų | 62.3 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 128.5 | 171.9 | -53.2 | 0 | 0 | 0 | 0 | 108.4 | C119 L128 V151 | C119-C135 HydrophobicContact CB-CB 3.89Å; C119-C135 WeakPolarHBondContact CB-SG 3.42Å; C119-C135 WeakPolarHBondContact SG-CB 3.46Å; C119-C135 CovalentContact SG-SG 2.01Å; C119-C135 PolarHBondContact SG-SG 3.46Å; L128-C135 HydrophobicContact CD2-CB 4.47Å; C135-V151 VanDerWaalsContact O-CB 3.26Å; C135-V151 WeakPolarHBondContact O-CB 3.45Å; C135-V151 WeakPolarHBondContact O-CG2 3.47Å; C135-V151 PolarHBondContact O-N 2.91Å |
| 136 | E | 47.6 | Very low | 44.5 | Very low | 41 Ų | 41 | 65.9 Ų | 65.9 | 19% | 0.192 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.9 | 173.4 | -68.9 | -178.1 | -168.7 | 0 | 0 | 109.9 | L128 M129 T131 M138 F149 | L128-E136 WeakPolarHBondContact CA-O 3.21Å; M129-E136 HydrophobicContact CB-CB 4.44Å; M129-E136 PolarHBondContact N-O 3.27Å; M129-E136 PolarHBondContact O-N 2.84Å; T131-E136 HydrophobicContact CG2-CB 4.29Å; T131-E136 HydrophobicContact CG2-CG 3.78Å; T131-E136 WeakPolarHBondContact CG2-OE1 3.45Å; T131-E136 PolarHBondContact OG1-OE1 3Å; E136-M138 PolarHBondContact O-N 3.39Å; E136-F149 WeakPolarHBondContact CA-O 3.44Å |
| 137 | L | 48.1 | Very low | 44.6 | Very low | 39 Ų | 39 | 64 Ų | 64 | 20% | 0.204 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 122.2 | 171.6 | -164.4 | 91.6 | 0 | 0 | 0 | 109 | L126 L128 L148 F149 V151 | L126-L137 HydrophobicContact CB-CD1 3.84Å; L126-L137 HydrophobicContact CD1-CD1 3.49Å; L126-L137 VanDerWaalsContact CD1-CD1 3.49Å; L126-L137 HydrophobicContact CD2-CD1 4.38Å; L126-L137 HydrophobicContact CG-CD1 4.04Å; L128-L137 HydrophobicContact CD2-CD1 3.99Å; L137-L148 WeakPolarHBondContact O-CA 3.45Å; L137-F149 HydrophobicContact CB-CB 4.27Å; L137-F149 PolarHBondContact N-O 3.04Å; L137-F149 PolarHBondContact O-N 3.05Å; L137-V151 HydrophobicContact CB-CG2 4.14Å |
| 138 | M | 47.1 | Very low | 44.6 | Very low | 23 Ų | 23 | 65.9 Ų | 65.9 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.8 | 175.7 | -167.7 | 170.9 | 27.6 | 0 | 0 | 110.3 | F45 P127 M129 E136 L148 | F45-M138 HydrophobicContact CB-CE 4.17Å; F45-M138 HydrophobicContact CB-SD 4.05Å; F45-M138 HydrophobicContact CD1-CE 4.33Å; F45-M138 HydrophobicContact CD1-CG 3.82Å; F45-M138 HydrophobicContact CD1-SD 3.34Å; F45-M138 WeakPolarHBondContact CD1-SD 3.3Å; F45-M138 HydrophobicContact CD2-CE 3.74Å; F45-M138 HydrophobicContact CD2-CG 4.13Å; F45-M138 HydrophobicContact CD2-SD 3.82Å; F45-M138 HydrophobicContact CE1-CG 3.46Å; F45-M138 VanDerWaalsContact CE1-CG 3.46Å; F45-M138 HydrophobicContact CE1-SD 3.69Å; F45-M138 HydrophobicContact CE2-CB 4.38Å; F45-M138 HydrophobicContact CE2-CE 4.24Å; F45-M138 HydrophobicContact CE2-CG 3.79Å; F45-M138 HydrophobicContact CE2-SD 4.12Å; F45-M138 HydrophobicContact CG-CE 3.8Å; F45-M138 HydrophobicContact CG-CG 4.15Å; F45-M138 HydrophobicContact CG-SD 3.42Å; F45-M138 WeakPolarHBondContact CG-SD 3.48Å; F45-M138 HydrophobicContact CZ-CB 4.34Å; F45-M138 HydrophobicContact CZ-CG 3.46Å; F45-M138 VanDerWaalsContact CZ-CG 3.46Å; F45-M138 HydrophobicContact CZ-SD 4.08Å; P127-M138 PolarHBondContact O-N 3.27Å; M129-M138 HydrophobicContact CE-CE 3.71Å; M129-M138 HydrophobicContact CE-SD 3.63Å; E136-M138 PolarHBondContact O-N 3.39Å; M138-L148 HydrophobicContact CB-CD2 3.96Å; M138-L148 HydrophobicContact CG-CD2 3.85Å; M138-L148 HydrophobicContact SD-CD2 4.37Å |
| 139 | W | 45.7 | Very low | 44.5 | Very low | 103 Ų | 103 | 70.8 Ų | 70.8 | 39% | 0.39 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 155.6 | 179 | 69.6 | -81.2 | 0 | 0 | 0 | 111.6 | I146 G147 | W139-I146 WeakPolarHBondContact O-CA 3.11Å; W139-G147 PolarHBondContact N-O 3.42Å; W139-G147 PolarHBondContact O-N 3.38Å |
| 140 | C | 39.6 | Very low | 44.1 | Very low | 45 Ų | 45 | 72.2 Ų | 72.2 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.4 | 174.6 | 177.6 | 0 | 0 | 0 | 0 | 108.2 | F45 C49 G145 | F45-C140 HydrophobicContact CE1-CB 4.33Å; F45-C140 HydrophobicContact CZ-CB 4.06Å; C49-C140 WeakPolarHBondContact CA-SG 3.39Å; C49-C140 HydrophobicContact CB-CB 3.71Å; C49-C140 WeakPolarHBondContact CB-SG 3.31Å; C49-C140 WeakPolarHBondContact SG-CB 3.34Å; C49-C140 CovalentContact SG-SG 2.03Å; C49-C140 PolarHBondContact SG-SG 3.31Å; C140-G145 WeakPolarHBondContact CA-O 3.48Å |
| 141 | G | 39.7 | Very low | 43.7 | Very low | 13 Ų | 13 | 70.1 Ų | 70.1 | 13% | 0.134 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 139.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L143 S144 G145 | G141-L143 PolarHBondContact O-N 3.22Å; G141-L143 VanDerWaalsContact O-N 3.16Å; G141-S144 PolarHBondContact O-N 2.93Å; G141-S144 VanDerWaalsContact O-N 3.16Å; G141-G145 PolarHBondContact N-O 3.26Å; G141-G145 PolarHBondContact O-N 3.03Å |
| 142 | C | 35.9 | Very low | 43.3 | Very low | 62 Ų | 62 | 73.4 Ų | 73.4 | 42% | 0.419 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.4 | -179.4 | -70.3 | 0 | 0 | 0 | 0 | 114.4 | C56 | C56-C142 HydrophobicContact CB-CB 3.5Å; C56-C142 VanDerWaalsContact CB-CB 3.5Å; C56-C142 WeakPolarHBondContact CB-SG 3.46Å; C56-C142 WeakPolarHBondContact SG-CB 3.43Å; C56-C142 CovalentContact SG-SG 2.01Å; C56-C142 PolarHBondContact SG-SG 2.94Å |
| 143 | L | 31.8 | Very low | 42.5 | Very low | 176 Ų | 176 | 72.6 Ų | 72.6 | 92% | 0.921 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -7.7 | 177.5 | -64.2 | 172.9 | 0 | 0 | 0 | 113.7 | G141 | G141-L143 PolarHBondContact O-N 3.22Å; G141-L143 VanDerWaalsContact O-N 3.16Å |
| 144 | S | 35.5 | Very low | 42 | Very low | 80 Ų | 80 | 68.7 Ų | 68.7 | 56% | 0.559 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.8 | -4.8 | -166.8 | -47.1 | 0 | 0 | 0 | 0 | 114.4 | G141 | G141-S144 PolarHBondContact O-N 2.93Å; G141-S144 VanDerWaalsContact O-N 3.16Å |
| 145 | G | 37.9 | Very low | 41.2 | Very low | 24 Ų | 24 | 71 Ų | 71 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | -153.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C140 G141 | C140-G145 WeakPolarHBondContact CA-O 3.48Å; G141-G145 PolarHBondContact N-O 3.26Å; G141-G145 PolarHBondContact O-N 3.03Å |
| 146 | I | 43.5 | Very low | 40.9 | Very low | 80 Ų | 80 | 74 Ų | 74 | 41% | 0.41 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 123.7 | 175.9 | -61.3 | 170.4 | 0 | 0 | 0 | 108.3 | F45 Q46 C49 W139 | F45-I146 HydrophobicContact CD1-CD1 4.31Å; F45-I146 HydrophobicContact CD1-CG1 4.44Å; F45-I146 HydrophobicContact CD1-CG2 4.26Å; F45-I146 HydrophobicContact CE1-CB 4.45Å; F45-I146 HydrophobicContact CE1-CD1 4.42Å; F45-I146 HydrophobicContact CE1-CG1 4.05Å; F45-I146 HydrophobicContact CE1-CG2 3.79Å; Q46-I146 HydrophobicContact CB-CD1 4.49Å; Q46-I146 HydrophobicContact CG-CD1 3.87Å; C49-I146 HydrophobicContact CB-CD1 4.15Å; C49-I146 HydrophobicContact CB-CG1 3.92Å; C49-I146 WeakPolarHBondContact SG-CG1 3.46Å; W139-I146 WeakPolarHBondContact O-CA 3.11Å |
| 147 | G | 40 | Very low | 40.5 | Very low | 15 Ų | 15 | 75.9 Ų | 75.9 | 16% | 0.155 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W139 | W139-G147 PolarHBondContact N-O 3.42Å; W139-G147 PolarHBondContact O-N 3.38Å |
| 148 | L | 41.6 | Very low | 40 | Very low | 84 Ų | 84 | 78.3 Ų | 78.3 | 44% | 0.44 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.5 | 169.1 | -66.4 | 167.9 | 0 | 0 | 0 | 107.1 | M129 L137 M138 | M129-L148 HydrophobicContact CE-CD2 4.42Å; L137-L148 WeakPolarHBondContact O-CA 3.45Å; M138-L148 HydrophobicContact CB-CD2 3.96Å; M138-L148 HydrophobicContact CG-CD2 3.85Å; M138-L148 HydrophobicContact SD-CD2 4.37Å |
| 149 | F | 44.7 | Very low | 39.5 | Very low | 140 Ų | 140 | 81.9 Ų | 81.9 | 61% | 0.614 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.1 | 172 | -143.7 | -85.7 | 0 | 0 | 0 | 108.1 | E136 L137 V151 | E136-F149 WeakPolarHBondContact CA-O 3.44Å; L137-F149 HydrophobicContact CB-CB 4.27Å; L137-F149 PolarHBondContact N-O 3.04Å; L137-F149 PolarHBondContact O-N 3.05Å; F149-V151 PolarHBondContact O-N 3.07Å |
| 150 | P | 38.6 | Very low | 39.1 | Very low | 84 Ų | 84 | 80.4 Ų | 80.4 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 127.1 | 173.6 | 27 | -31.7 | 0 | 0 | 0 | 108.4 | S152 | P150-S152 PolarHBondContact O-N 3.08Å |
| 151 | V | 37.4 | Very low | 39 | Very low | 33 Ų | 33 | 83.2 Ų | 83.2 | 20% | 0.2 | 51% | 0.513 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 94.6 | 170.7 | -168.9 | 0 | 0 | 0 | 0 | 107.1 | V109 L112 L128 C135 L137 F149 | V109-V151 HydrophobicContact CG1-CG1 4.2Å; L112-V151 HydrophobicContact CD1-CB 4.04Å; L112-V151 HydrophobicContact CD1-CG1 3.23Å; L112-V151 HydrophobicContact CD1-CG2 4.11Å; L128-V151 HydrophobicContact CD2-CG2 4.49Å; C135-V151 VanDerWaalsContact O-CB 3.26Å; C135-V151 WeakPolarHBondContact O-CB 3.45Å; C135-V151 WeakPolarHBondContact O-CG2 3.47Å; C135-V151 PolarHBondContact O-N 2.91Å; L137-V151 HydrophobicContact CB-CG2 4.14Å; F149-V151 PolarHBondContact O-N 3.07Å |
| 152 | S | 41.5 | Very low | 39 | Very low | 105 Ų | 105 | 89 Ų | 89 | 73% | 0.734 | 55% | 0.545 | S | S | * | . | trans | -77.8 | 131.3 | 169.2 | 57.1 | 0 | 0 | 0 | 0 | 109.2 | P150 | P150-S152 PolarHBondContact O-N 3.08Š| ||
| 153 | S | 39 | Very low | 39.2 | Very low | 185 Ų | 185 | 91.5 Ų | 91.5 | 100% | 1.294 | 56% | 0.556 | S | S | * | * | trans | -51.4 | 0 | 162 | 57.2 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 153 of 153 residues in 22.3 ms
(Link to these results)