| 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 | 39.4 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 100% | 1.089 | 65% | 0.648 | S | S | * | * | 0 | -25.2 | 0 | -83.6 | 173.2 | 167.9 | 0 | 0 | 113.1 | S3 | M1-S3 PolarHBondContact O-N 3.15Š| |||
| 2 | E | 43.4 | Very low | 39.8 | Very low | 174 Ų | 174 | 126.9 Ų | 126.9 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.3 | -22.9 | 176.5 | -76.5 | 176.9 | 132.1 | 0 | 0 | 116.1 | V4 | E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.31Å |
| 3 | S | 42.3 | Very low | 40.3 | Very low | 94 Ų | 94 | 122 Ų | 122 | 66% | 0.657 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -75.4 | -20.9 | 179.9 | 53.4 | 0 | 0 | 0 | 0 | 114 | M1 | M1-S3 PolarHBondContact O-N 3.15Å |
| 4 | V | 40.5 | Very low | 40.5 | Very low | 92 Ų | 92 | 122.6 Ų | 122.6 | 56% | 0.558 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.1 | -36.2 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | E2 K6 R7 N8 | E2-V4 VanDerWaalsContact C-N 3.34Å; E2-V4 PolarHBondContact O-N 3.31Å; V4-K6 PolarHBondContact O-N 2.66Å; V4-R7 PolarHBondContact O-N 2.78Å; V4-N8 PolarHBondContact O-N 3.46Å |
| 5 | S | 36.3 | Very low | 40.7 | Very low | 73 Ų | 73 | 124.1 Ų | 124.1 | 51% | 0.51 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64.6 | -34.7 | 176.8 | 163.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 6 | K | 39.7 | Very low | 41.6 | Very low | 161 Ų | 161 | 120.9 Ų | 120.9 | 70% | 0.7 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.6 | -26.9 | 177.3 | -80.3 | -176.9 | 177.1 | 176.6 | 0 | 113.9 | V4 | V4-K6 PolarHBondContact O-N 2.66Å |
| 7 | R | 37.5 | Very low | 42.5 | Very low | 193 Ų | 193 | 123.8 Ų | 123.8 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.4 | -37.5 | 176.9 | -83.4 | -177.3 | 175.3 | 164.2 | -1.4 | 112 | V4 N9 L10 E11 | V4-R7 PolarHBondContact O-N 2.78Å; R7-N9 PolarHBondContact O-N 2.87Å; R7-L10 PolarHBondContact O-N 3.44Å; R7-E11 PolarHBondContact O-N 2.91Å |
| 8 | N | 33.8 | Very low | 43.6 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63.8 | -39.2 | 177.8 | -73.1 | 9.4 | 0 | 0 | 0 | 112.2 | V4 L10 E11 D12 | V4-N8 PolarHBondContact O-N 3.46Å; N8-L10 VanDerWaalsContact C-N 3.27Å; N8-L10 PolarHBondContact O-N 2.82Å; N8-E11 PolarHBondContact O-N 3.41Å; N8-D12 PolarHBondContact O-N 3.42Å; N8-D12 VanDerWaalsContact O-N 3.15Å |
| 9 | N | 42.1 | Very low | 45 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.6 | -23.4 | 177 | -74.1 | 5.7 | 0 | 0 | 0 | 114.2 | R7 | R7-N9 PolarHBondContact O-N 2.87Å |
| 10 | L | 37.5 | Very low | 46.7 | Very low | 85 Ų | 85 | 117.7 Ų | 117.7 | 45% | 0.445 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -82 | -29.9 | 178.5 | -90.6 | 151.3 | 0 | 0 | 0 | 112.2 | R7 N8 | R7-L10 PolarHBondContact O-N 3.44Å; N8-L10 VanDerWaalsContact C-N 3.27Å; N8-L10 PolarHBondContact O-N 2.82Å |
| 11 | E | 37.3 | Very low | 48.5 | Very low | 127 Ų | 127 | 113.8 Ų | 113.8 | 59% | 0.593 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -75 | -36 | 172.4 | -71.9 | -172.3 | 164.6 | 0 | 0 | 111.5 | R7 N8 L13 K14 | R7-E11 PolarHBondContact O-N 2.91Å; N8-E11 PolarHBondContact O-N 3.41Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.8Å; E11-K14 PolarHBondContact O-N 3.33Å; E11-K14 VanDerWaalsContact O-N 3.16Å |
| 12 | D | 43.9 | Very low | 50.3 | Low | 109 Ų | 109 | 111 Ų | 111 | 58% | 0.583 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.4 | -34.7 | 176.6 | -75.6 | -25 | 0 | 0 | 0 | 112.4 | N8 K14 V16 | N8-D12 PolarHBondContact O-N 3.42Å; N8-D12 VanDerWaalsContact O-N 3.15Å; D12-K14 VanDerWaalsContact C-N 3.35Å; D12-K14 PolarHBondContact O-N 3.06Å; D12-V16 WeakPolarHBondContact O-CG2 3.17Å |
| 13 | L | 47.2 | Very low | 52 | Low | 63 Ų | 63 | 110.1 Ų | 110.1 | 33% | 0.33 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.3 | -25.8 | 177.8 | -77.1 | 163.6 | 0 | 0 | 0 | 114 | E11 N15 V16 H213 | E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.8Å; L13-N15 PolarHBondContact O-N 2.9Å; L13-V16 HydrophobicContact CD2-CG2 4.46Å; L13-V16 PolarHBondContact O-N 3.23Å; L13-H213 PolarHBondContact O-NE2 3.31Å |
| 14 | K | 43 | Very low | 54.1 | Low | 131 Ų | 131 | 106.9 Ų | 106.9 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.9 | -23.6 | -179 | -71.8 | -179.7 | -179.4 | 179.4 | 0 | 113.3 | E11 D12 H213 | E11-K14 PolarHBondContact O-N 3.33Å; E11-K14 VanDerWaalsContact O-N 3.16Å; D12-K14 VanDerWaalsContact C-N 3.35Å; D12-K14 PolarHBondContact O-N 3.06Å; K14-H213 WeakPolarHBondContact CA-NE2 3.29Å; K14-H213 PolarHBondContact N-NE2 3.23Å |
| 15 | N | 43.3 | Very low | 56.4 | Low | 145 Ų | 145 | 106.9 Ų | 106.9 | 78% | 0.775 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | 3.6 | -179.2 | -66.4 | -19.5 | 0 | 0 | 0 | 113.2 | L13 E17 | L13-N15 PolarHBondContact O-N 2.9Å; N15-E17 PolarHBondContact O-N 3.45Å |
| 16 | V | 54.3 | Low | 59.1 | Low | 72 Ų | 72 | 106.6 Ų | 106.6 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | trans | -74.7 | 112.3 | 176 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | D12 L13 F18 | D12-V16 WeakPolarHBondContact O-CG2 3.17Å; L13-V16 HydrophobicContact CD2-CG2 4.46Å; L13-V16 PolarHBondContact O-N 3.23Å; V16-F18 HydrophobicContact CB-CE2 4.07Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD2 4.4Å; V16-F18 HydrophobicContact CG1-CE1 4.4Å; V16-F18 HydrophobicContact CG1-CE2 4.15Å; V16-F18 HydrophobicContact CG1-CZ 4.17Å; V16-F18 WeakPolarHBondContact O-CD2 3.36Å; V16-F18 WeakPolarHBondContact O-CE2 3.37Å; V16-F18 PolarHBondContact O-N 3.06Å | ||
| 17 | E | 57 | Low | 61.6 | Low | 170 Ų | 170 | 99.2 Ų | 99.2 | 79% | 0.794 | 49% | 0.494 | S | S | * | . | trans | -69.2 | 115.7 | 166.1 | -71.8 | -170.7 | 159.2 | 0 | 0 | 108.8 | N15 | N15-E17 PolarHBondContact O-N 3.45Š| ||
| 18 | F | 62.6 | Low | 64.2 | Low | 54 Ų | 54 | 94.2 Ų | 94.2 | 24% | 0.237 | 49% | 0.486 | C | S | . | . | trans | -85.7 | 116.2 | 177.5 | -69.9 | -91.9 | 0 | 0 | 0 | 109.2 | V16 L216 L230 | V16-F18 HydrophobicContact CB-CE2 4.07Å; V16-F18 HydrophobicContact CB-CZ 4.32Å; V16-F18 HydrophobicContact CG1-CD2 4.4Å; V16-F18 HydrophobicContact CG1-CE1 4.4Å; V16-F18 HydrophobicContact CG1-CE2 4.15Å; V16-F18 HydrophobicContact CG1-CZ 4.17Å; V16-F18 WeakPolarHBondContact O-CD2 3.36Å; V16-F18 WeakPolarHBondContact O-CE2 3.37Å; V16-F18 PolarHBondContact O-N 3.06Å; F18-L216 HydrophobicContact CB-CD2 4.43Å; F18-L216 HydrophobicContact CD1-CD2 3.81Å; F18-L216 HydrophobicContact CD2-CD1 3.42Å; F18-L216 VanDerWaalsContact CD2-CD1 3.42Å; F18-L216 HydrophobicContact CD2-CD2 4Å; F18-L216 HydrophobicContact CD2-CG 4.19Å; F18-L216 HydrophobicContact CE1-CB 4.45Å; F18-L216 HydrophobicContact CE1-CD2 3.99Å; F18-L216 HydrophobicContact CE2-CB 4.04Å; F18-L216 HydrophobicContact CE2-CD1 3.53Å; F18-L216 HydrophobicContact CE2-CD2 4.19Å; F18-L216 HydrophobicContact CE2-CG 4.12Å; F18-L216 HydrophobicContact CG-CD1 4.06Å; F18-L216 HydrophobicContact CG-CD2 3.8Å; F18-L216 HydrophobicContact CG-CG 4.49Å; F18-L216 HydrophobicContact CZ-CB 3.93Å; F18-L216 HydrophobicContact CZ-CD1 4.22Å; F18-L216 HydrophobicContact CZ-CD2 4.17Å; F18-L216 HydrophobicContact CZ-CG 4.32Å; F18-L230 HydrophobicContact CB-CD1 3.74Å; F18-L230 VanDerWaalsContact O-CD1 3.25Å; F18-L230 WeakPolarHBondContact O-CD1 3.48Å | ||
| 19 | E | 70.7 | Confident | 67.1 | Low | 137 Ų | 137 | 91.4 Ų | 91.4 | 64% | 0.64 | 47% | 0.474 | S | S | * | . | trans | -104.2 | 156.7 | 176.4 | -62.6 | -173.2 | 162 | 0 | 0 | 111.8 | S21 | E19-S21 PolarHBondContact O-N 2.82Š| ||
| 20 | T | 78.9 | Confident | 69.6 | Low | 59 Ų | 59 | 86.5 Ų | 86.5 | 36% | 0.362 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.5 | 166.4 | -69.6 | 0 | 0 | 0 | 0 | 108.6 | E22 I24 R228 L230 | T20-E22 PolarHBondContact O-N 3.37Å; T20-I24 HydrophobicContact CG2-CD1 3.88Å; T20-R228 CarbonylContact C-O 3.4Å; T20-R228 WeakPolarHBondContact CA-O 3.21Å; T20-R228 WeakPolarHBondContact CG2-O 2.99Å; T20-L230 WeakPolarHBondContact OG1-CA 3.37Å; T20-L230 PolarHBondContact OG1-N 3.05Å; T20-L230 PolarHBondContact OG1-O 3.31Å |
| 21 | S | 83.7 | Confident | 72.3 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 25% | 0.245 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 139.5 | 178.2 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | E19 I24 R228 | E19-S21 PolarHBondContact O-N 2.82Å; S21-I24 WeakPolarHBondContact O-CG1 3.48Å; S21-R228 PolarHBondContact N-O 3.28Å; S21-R228 PolarHBondContact OG-N 3.23Å |
| 22 | E | 81.6 | Confident | 75.1 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 76% | 0.762 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 154 | 178.8 | -62.1 | -177.4 | 174.3 | 0 | 0 | 112 | T20 I24 | T20-E22 PolarHBondContact O-N 3.37Å; E22-I24 VanDerWaalsContact C-N 3.33Å; E22-I24 PolarHBondContact O-N 3.28Å |
| 23 | N | 79.9 | Confident | 77.5 | Confident | 155 Ų | 155 | 79.5 Ų | 79.5 | 83% | 0.829 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 31.4 | 170.7 | -53.5 | -53.6 | 0 | 0 | 0 | 115.5 | E25 | N23-E25 PolarHBondContact O-N 3.4Å; N23-E25 VanDerWaalsContact O-N 3.15Å |
| 24 | I | 86.2 | Confident | 79.7 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 13% | 0.133 | 44% | 0.44 | C | S | . | . | trans | -72.2 | 108.3 | 169.5 | -59.7 | 177.1 | 0 | 0 | 0 | 109 | T20 S21 E22 V26 R57 Q61 V227 R228 I229 | T20-I24 HydrophobicContact CG2-CD1 3.88Å; S21-I24 WeakPolarHBondContact O-CG1 3.48Å; E22-I24 VanDerWaalsContact C-N 3.33Å; E22-I24 PolarHBondContact O-N 3.28Å; I24-V26 PolarHBondContact O-N 3.42Å; I24-R57 HydrophobicContact CG2-CB 3.85Å; I24-R57 HydrophobicContact CG2-CG 4.12Å; I24-Q61 HydrophobicContact CG2-CG 4.46Å; I24-V227 HydrophobicContact CD1-CG1 3.63Å; I24-V227 HydrophobicContact CG1-CG1 4.07Å; I24-R228 WeakPolarHBondContact CD1-O 3.38Å; I24-I229 HydrophobicContact CD1-CD1 4.4Å; I24-I229 HydrophobicContact CD1-CG1 3.48Å; I24-I229 VanDerWaalsContact CD1-CG1 3.48Å | ||
| 25 | E | 88.9 | Confident | 82.3 | Confident | 92 Ų | 92 | 76 Ų | 76 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | trans | -57.4 | 130.7 | 174.7 | -171.3 | -174.3 | 162.5 | 0 | 0 | 111.5 | N23 I27 K60 | N23-E25 PolarHBondContact O-N 3.4Å; N23-E25 VanDerWaalsContact O-N 3.15Å; E25-I27 HydrophobicContact CG-CG1 4.29Å; E25-K60 IonicContact OE1-NZ 2.66Å; E25-K60 PolarHBondContact OE1-NZ 3.31Å; E25-K60 WeakPolarHBondContact OE2-CE 3.42Å; E25-K60 IonicContact OE2-NZ 3.84Å; E25-K60 PolarHBondContact OE2-NZ 3.3Å | ||
| 26 | V | 91.6 | Very high | 84.9 | Confident | 68 Ų | 68 | 72 Ų | 72 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | trans | -99.7 | 116.9 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | I24 Q56 R57 | I24-V26 PolarHBondContact O-N 3.42Å; V26-Q56 HydrophobicContact CG1-CB 3.97Å; V26-Q56 VanDerWaalsContact CG1-OE1 3.24Å; V26-R57 HydrophobicContact CG2-CG 4.13Å | ||
| 27 | I | 93 | Very high | 86.9 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.026 | 40% | 0.404 | C | S | . | . | trans | -106.4 | 114.7 | -176.4 | -54.5 | 168.5 | 0 | 0 | 0 | 109.6 | E25 S29 S32 M33 Q56 K60 | E25-I27 HydrophobicContact CG-CG1 4.29Å; I27-S29 PolarHBondContact O-N 3.5Å; I27-S32 VanDerWaalsContact CG2-CB 3.46Å; I27-S32 WeakPolarHBondContact CG2-O 3.33Å; I27-M33 HydrophobicContact CB-CE 4.3Å; I27-M33 HydrophobicContact CB-CG 4.13Å; I27-M33 HydrophobicContact CD1-CG 4.1Å; I27-M33 HydrophobicContact CG2-CE 4.46Å; I27-M33 HydrophobicContact CG2-CG 3.61Å; I27-Q56 PolarHBondContact N-O 2.65Å; I27-Q56 WeakPolarHBondContact O-CB 3.31Å; I27-Q56 VanDerWaalsContact O-CG 3.25Å; I27-Q56 WeakPolarHBondContact O-CG 3.01Å; I27-K60 HydrophobicContact CD1-CB 3.63Å; I27-K60 HydrophobicContact CD1-CD 3.28Å; I27-K60 HydrophobicContact CD1-CG 4.07Å; I27-K60 HydrophobicContact CG1-CD 4.34Å | ||
| 28 | P | 91.3 | Very high | 88.8 | Confident | 88 Ų | 88 | 69.3 Ų | 69.3 | 57% | 0.571 | 38% | 0.378 | S | S | * | . | trans | -78.3 | -19.9 | -163.7 | 29.7 | -36.5 | 0 | 0 | 0 | 115.2 | P51 | P28-P51 WeakPolarHBondContact O-CD 3.42Å; P28-P51 WeakPolarHBondContact O-CG 3.11Å | ||
| 29 | S | 94.6 | Very high | 90.5 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -133.6 | 155.8 | -179.5 | 76.9 | 0 | 0 | 0 | 0 | 111.7 | I27 D31 S32 M33 | I27-S29 PolarHBondContact O-N 3.5Å; S29-D31 VanDerWaalsContact C-N 3.29Å; S29-D31 PolarHBondContact O-N 3.31Å; S29-S32 PolarHBondContact O-N 3.2Å; S29-S32 PolarHBondContact OG-N 3.45Å; S29-S32 PolarHBondContact OG-OG 3.16Å; S29-M33 WeakPolarHBondContact O-CG 3.15Å |
| 30 | F | 95.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -62.7 | -36.7 | 174.5 | -67.9 | -66.7 | 0 | 0 | 0 | 111.9 | S32 M33 L40 I43 F48 P51 I59 I84 | F30-S32 PolarHBondContact O-N 3.15Å; F30-M33 HydrophobicContact CD1-CE 4.4Å; F30-M33 HydrophobicContact CD1-SD 4.05Å; F30-M33 WeakPolarHBondContact O-CB 3.26Å; F30-M33 PolarHBondContact O-N 3.32Å; F30-L40 HydrophobicContact CB-CD2 3.9Å; F30-I43 HydrophobicContact CD1-CD1 4.26Å; F30-I43 HydrophobicContact CD1-CG2 4.21Å; F30-I43 HydrophobicContact CD2-CG2 3.71Å; F30-I43 HydrophobicContact CE1-CG2 4.31Å; F30-I43 HydrophobicContact CE2-CG2 3.83Å; F30-I43 HydrophobicContact CG-CG2 3.91Å; F30-I43 HydrophobicContact CZ-CG2 4.13Å; F30-F48 HydrophobicContact CE2-CB 3.86Å; F30-F48 HydrophobicContact CZ-CB 4.25Å; F30-P51 HydrophobicContact CD1-CB 4.23Å; F30-P51 HydrophobicContact CE1-CB 3.78Å; F30-P51 HydrophobicContact CE2-CB 4.24Å; F30-P51 HydrophobicContact CZ-CB 3.79Å; F30-I59 HydrophobicContact CE1-CD1 4.33Å; F30-I84 HydrophobicContact CD1-CD1 4.31Å; F30-I84 HydrophobicContact CE1-CD1 3.64Å; F30-I84 HydrophobicContact CZ-CD1 4.32Å |
| 31 | D | 94.7 | Very high | 92.7 | Very high | 93 Ų | 93 | 65.7 Ų | 65.7 | 50% | 0.497 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61.9 | -33.5 | 178.1 | -41 | -74.2 | 0 | 0 | 0 | 112.1 | S29 M33 Y44 | S29-D31 VanDerWaalsContact C-N 3.29Å; S29-D31 PolarHBondContact O-N 3.31Å; D31-M33 PolarHBondContact O-N 3.33Å; D31-Y44 PolarHBondContact OD1-OH 3.26Å; D31-Y44 PolarHBondContact OD2-OH 2.93Å |
| 32 | S | 94.6 | Very high | 93.3 | Very high | 64 Ų | 64 | 64 Ų | 64 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -76.8 | -5.4 | 179.5 | -54.2 | 0 | 0 | 0 | 0 | 113.2 | I27 S29 F30 C34 | I27-S32 VanDerWaalsContact CG2-CB 3.46Å; I27-S32 WeakPolarHBondContact CG2-O 3.33Å; S29-S32 PolarHBondContact O-N 3.2Å; S29-S32 PolarHBondContact OG-N 3.45Å; S29-S32 PolarHBondContact OG-OG 3.16Å; F30-S32 PolarHBondContact O-N 3.15Å; S32-C34 VanDerWaalsContact C-N 3.34Å |
| 33 | M | 95.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 56.2 Ų | 56.2 | 8% | 0.084 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -86.9 | -1.4 | 179.9 | -63.5 | -177.3 | -177.7 | 0 | 0 | 113.5 | I27 S29 F30 D31 L35 P51 I59 | I27-M33 HydrophobicContact CB-CE 4.3Å; I27-M33 HydrophobicContact CB-CG 4.13Å; I27-M33 HydrophobicContact CD1-CG 4.1Å; I27-M33 HydrophobicContact CG2-CE 4.46Å; I27-M33 HydrophobicContact CG2-CG 3.61Å; S29-M33 WeakPolarHBondContact O-CG 3.15Å; F30-M33 HydrophobicContact CD1-CE 4.4Å; F30-M33 HydrophobicContact CD1-SD 4.05Å; F30-M33 WeakPolarHBondContact O-CB 3.26Å; F30-M33 PolarHBondContact O-N 3.32Å; D31-M33 PolarHBondContact O-N 3.33Å; M33-L35 VanDerWaalsContact C-N 3.27Å; M33-L35 HydrophobicContact CB-CD1 4.19Å; M33-L35 HydrophobicContact CB-CD2 4.32Å; M33-L35 HydrophobicContact CB-CG 3.84Å; M33-L35 PolarHBondContact O-N 3.28Å; M33-P51 HydrophobicContact CE-CB 3.69Å; M33-P51 HydrophobicContact CE-CG 3.87Å; M33-I59 HydrophobicContact CE-CD1 4.29Å; M33-I59 HydrophobicContact SD-CB 4.04Å; M33-I59 HydrophobicContact SD-CD1 3.79Å; M33-I59 HydrophobicContact SD-CG1 4.49Å; M33-I59 HydrophobicContact SD-CG2 3.98Å |
| 34 | C | 93.9 | Very high | 94.8 | Very high | 112 Ų | 112 | 53 Ų | 53 | 76% | 0.757 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 41.9 | -177.1 | -55.7 | 0 | 0 | 0 | 0 | 112.9 | S32 | S32-C34 VanDerWaalsContact C-N 3.34Š|
| 35 | L | 96.7 | Very high | 95.3 | Very high | 10 Ų | 10 | 54.8 Ų | 54.8 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | trans | -76.8 | 157.7 | 175 | -59.5 | 174.6 | 0 | 0 | 0 | 110.3 | M33 L39 L40 I43 I59 I84 Q88 | M33-L35 VanDerWaalsContact C-N 3.27Å; M33-L35 HydrophobicContact CB-CD1 4.19Å; M33-L35 HydrophobicContact CB-CD2 4.32Å; M33-L35 HydrophobicContact CB-CG 3.84Å; M33-L35 PolarHBondContact O-N 3.28Å; L35-L39 HydrophobicContact CB-CD2 4.46Å; L35-L39 HydrophobicContact CD2-CD2 4.35Å; L35-L40 HydrophobicContact CB-CD1 4.4Å; L35-L40 HydrophobicContact CB-CD2 3.96Å; L35-L40 HydrophobicContact CB-CG 3.85Å; L35-L40 HydrophobicContact CD1-CD2 3.98Å; L35-L40 HydrophobicContact CG-CD2 4.46Å; L35-I43 HydrophobicContact CD1-CD1 3.64Å; L35-I59 HydrophobicContact CD2-CG2 4.21Å; L35-I84 HydrophobicContact CD1-CG2 3.71Å; L35-I84 HydrophobicContact CD2-CG2 4.11Å; L35-Q88 HydrophobicContact CD2-CB 4.12Å; L35-Q88 HydrophobicContact CD2-CG 3.89Å | ||
| 36 | R | 97 | Very high | 95.5 | Very high | 60 Ų | 60 | 55 Ų | 55 | 23% | 0.226 | 30% | 0.296 | C | S | . | . | trans | -60.9 | 144.5 | 173.5 | -67.5 | 157.2 | 42.8 | 153.5 | 0.1 | 111 | D38 L39 L40 L90 | R36-D38 VanDerWaalsContact C-N 3.29Å; R36-D38 WeakPolarHBondContact CB-OD1 3.37Å; R36-D38 IonicContact CZ-OD1 3.28Å; R36-D38 IonicContact CZ-OD2 3.65Å; R36-D38 IonicContact NE-OD1 2.78Å; R36-D38 PolarHBondContact NE-OD1 3.49Å; R36-D38 IonicContact NE-OD2 2.94Å; R36-D38 IonicContact NH2-OD1 3.32Å; R36-D38 PolarHBondContact NH2-OD1 3.45Å; R36-D38 IonicContact NH2-OD2 3.7Å; R36-D38 PolarHBondContact NH2-OD2 2.63Å; R36-D38 PolarHBondContact O-N 3.27Å; R36-L39 HydrophobicContact CB-CB 4.29Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 3.28Å; R36-L39 VanDerWaalsContact O-N 3.13Å; R36-L40 PolarHBondContact O-N 3.46Å; R36-L90 PolarHBondContact NH1-O 2.88Å; R36-L90 VanDerWaalsContact NH1-O 3.1Å | ||
| 37 | D | 97.2 | Very high | 95.6 | Very high | 140 Ų | 140 | 54.3 Ų | 54.3 | 75% | 0.749 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -59.3 | -37.7 | -177.8 | -64.4 | -16.8 | 0 | 0 | 0 | 113.2 | L40 R41 | D37-L40 PolarHBondContact O-N 3Å; D37-R41 WeakPolarHBondContact O-CB 3.25Å; D37-R41 PolarHBondContact O-N 3.33Å |
| 38 | D | 97.4 | Very high | 95.6 | Very high | 46 Ų | 46 | 55.7 Ų | 55.7 | 25% | 0.246 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -38.3 | 177.7 | 56.2 | 2.1 | 0 | 0 | 0 | 112.7 | R36 G42 M123 | R36-D38 VanDerWaalsContact C-N 3.29Å; R36-D38 WeakPolarHBondContact CB-OD1 3.37Å; R36-D38 IonicContact CZ-OD1 3.28Å; R36-D38 IonicContact CZ-OD2 3.65Å; R36-D38 IonicContact NE-OD1 2.78Å; R36-D38 PolarHBondContact NE-OD1 3.49Å; R36-D38 IonicContact NE-OD2 2.94Å; R36-D38 IonicContact NH2-OD1 3.32Å; R36-D38 PolarHBondContact NH2-OD1 3.45Å; R36-D38 IonicContact NH2-OD2 3.7Å; R36-D38 PolarHBondContact NH2-OD2 2.63Å; R36-D38 PolarHBondContact O-N 3.27Å; D38-G42 PolarHBondContact O-N 3.23Å; D38-G42 VanDerWaalsContact O-N 3.1Å; D38-M123 HydrophobicContact CB-CG 4.03Å; D38-M123 VanDerWaalsContact CG-CG 3.5Å; D38-M123 WeakPolarHBondContact OD2-CG 3.27Å |
| 39 | L | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -44.8 | 172.7 | 177.4 | 55.8 | 0 | 0 | 0 | 111.8 | L35 R36 R41 G42 I43 I84 L87 Q88 M123 | L35-L39 HydrophobicContact CB-CD2 4.46Å; L35-L39 HydrophobicContact CD2-CD2 4.35Å; R36-L39 HydrophobicContact CB-CB 4.29Å; R36-L39 WeakPolarHBondContact O-CB 3.3Å; R36-L39 PolarHBondContact O-N 3.28Å; R36-L39 VanDerWaalsContact O-N 3.13Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.72Å; L39-G42 WeakPolarHBondContact O-CA 3.1Å; L39-G42 PolarHBondContact O-N 3.29Å; L39-G42 VanDerWaalsContact O-N 3.07Å; L39-I43 HydrophobicContact CD1-CD1 4.27Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 4.05Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.42Å; L39-I84 HydrophobicContact CD2-CG2 4.15Å; L39-I84 WeakPolarHBondContact CD2-O 3.26Å; L39-L87 HydrophobicContact CD1-CB 3.72Å; L39-L87 HydrophobicContact CD1-CD1 3.6Å; L39-L87 HydrophobicContact CD1-CG 4.31Å; L39-L87 HydrophobicContact CD2-CB 3.99Å; L39-L87 HydrophobicContact CG-CB 4.46Å; L39-Q88 HydrophobicContact CD2-CB 3.8Å; L39-M123 HydrophobicContact CB-SD 3.89Å; L39-M123 HydrophobicContact CD1-SD 4.11Å |
| 40 | L | 97.5 | Very high | 95.3 | Very high | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.11 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 174.9 | -77 | 172.5 | 0 | 0 | 0 | 111.1 | F30 L35 R36 D37 G42 I43 Y44 | F30-L40 HydrophobicContact CB-CD2 3.9Å; L35-L40 HydrophobicContact CB-CD1 4.4Å; L35-L40 HydrophobicContact CB-CD2 3.96Å; L35-L40 HydrophobicContact CB-CG 3.85Å; L35-L40 HydrophobicContact CD1-CD2 3.98Å; L35-L40 HydrophobicContact CG-CD2 4.46Å; R36-L40 PolarHBondContact O-N 3.46Å; D37-L40 PolarHBondContact O-N 3Å; L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.08Å; L40-I43 PolarHBondContact O-N 3.47Å; L40-Y44 HydrophobicContact CD2-CE2 4.47Å; L40-Y44 WeakPolarHBondContact O-CD2 3.34Å; L40-Y44 PolarHBondContact O-N 2.91Å |
| 41 | R | 97.2 | Very high | 95.1 | Very high | 152 Ų | 152 | 68.1 Ų | 68.1 | 57% | 0.574 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.2 | -42.5 | 174.8 | -170.3 | -176.1 | 174.8 | 177.1 | -1.1 | 111.8 | D37 L39 A45 Y122 | D37-R41 WeakPolarHBondContact O-CB 3.25Å; D37-R41 PolarHBondContact O-N 3.33Å; L39-R41 VanDerWaalsContact C-N 3.28Å; L39-R41 PolarHBondContact O-N 2.72Å; R41-A45 WeakPolarHBondContact O-CB 3.45Å; R41-A45 PolarHBondContact O-N 2.89Å; R41-Y122 HydrophobicContact CB-CD2 3.92Å; R41-Y122 HydrophobicContact CB-CE2 4.24Å; R41-Y122 HydrophobicContact CB-CG 4.47Å; R41-Y122 HydrophobicContact CG-CD2 3.69Å; R41-Y122 HydrophobicContact CG-CE2 3.59Å; R41-Y122 HydrophobicContact CG-CG 4.21Å; R41-Y122 VanDerWaalsContact CZ-CE1 3.45Å |
| 42 | G | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D38 L39 L40 A45 Y46 L119 | D38-G42 PolarHBondContact O-N 3.23Å; D38-G42 VanDerWaalsContact O-N 3.1Å; L39-G42 WeakPolarHBondContact O-CA 3.1Å; L39-G42 PolarHBondContact O-N 3.29Å; L39-G42 VanDerWaalsContact O-N 3.07Å; L40-G42 VanDerWaalsContact C-N 3.29Å; L40-G42 PolarHBondContact O-N 3.08Å; G42-A45 PolarHBondContact O-N 2.78Å; G42-Y46 WeakPolarHBondContact O-CB 3.43Å; G42-Y46 PolarHBondContact O-N 2.8Å; G42-L119 WeakPolarHBondContact CA-O 3.5Å |
| 43 | I | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 175.7 | -70.5 | 165.9 | 0 | 0 | 0 | 111 | F30 L35 L39 L40 Y46 G47 F48 I84 L119 | F30-I43 HydrophobicContact CD1-CD1 4.26Å; F30-I43 HydrophobicContact CD1-CG2 4.21Å; F30-I43 HydrophobicContact CD2-CG2 3.71Å; F30-I43 HydrophobicContact CE1-CG2 4.31Å; F30-I43 HydrophobicContact CE2-CG2 3.83Å; F30-I43 HydrophobicContact CG-CG2 3.91Å; F30-I43 HydrophobicContact CZ-CG2 4.13Å; L35-I43 HydrophobicContact CD1-CD1 3.64Å; L39-I43 HydrophobicContact CD1-CD1 4.27Å; L39-I43 HydrophobicContact CD1-CG1 4.28Å; L39-I43 HydrophobicContact CG-CD1 4.05Å; L39-I43 WeakPolarHBondContact O-CG1 3.33Å; L39-I43 PolarHBondContact O-N 3.42Å; L40-I43 PolarHBondContact O-N 3.47Å; I43-Y46 WeakPolarHBondContact O-CB 3.48Å; I43-Y46 PolarHBondContact O-N 2.82Å; I43-G47 PolarHBondContact O-N 2.89Å; I43-F48 HydrophobicContact CG2-CB 3.86Å; I43-F48 HydrophobicContact CG2-CD2 4.23Å; I43-F48 PolarHBondContact O-N 2.84Å; I43-I84 HydrophobicContact CD1-CD1 3.78Å; I43-I84 HydrophobicContact CD1-CG1 3.82Å; I43-I84 HydrophobicContact CD1-CG2 3.95Å; I43-I84 HydrophobicContact CG1-CD1 3.97Å; I43-I84 HydrophobicContact CG1-CG1 3.94Å; I43-L119 HydrophobicContact CG1-CD2 4.19Å |
| 44 | Y | 96.5 | Very high | 94.1 | Very high | 86 Ų | 86 | 64.8 Ų | 64.8 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 179.8 | -68.3 | -57.5 | 0 | 0 | 0 | 112.5 | D31 L40 Y46 G47 F48 | D31-Y44 PolarHBondContact OD1-OH 3.26Å; D31-Y44 PolarHBondContact OD2-OH 2.93Å; L40-Y44 HydrophobicContact CD2-CE2 4.47Å; L40-Y44 WeakPolarHBondContact O-CD2 3.34Å; L40-Y44 PolarHBondContact O-N 2.91Å; Y44-Y46 PolarHBondContact O-N 3.12Å; Y44-G47 WeakPolarHBondContact O-CA 3.42Å; Y44-G47 PolarHBondContact O-N 3.44Å; Y44-F48 WeakPolarHBondContact CD1-O 3.34Å |
| 45 | A | 95.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 59.7 Ų | 59.7 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.1 | -30.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R41 G42 G47 Y122 | R41-A45 WeakPolarHBondContact O-CB 3.45Å; R41-A45 PolarHBondContact O-N 2.89Å; G42-A45 PolarHBondContact O-N 2.78Å; A45-G47 PolarHBondContact O-N 2.72Å; A45-Y122 HydrophobicContact CB-CE2 3.85Å |
| 46 | Y | 93.7 | Very high | 93.8 | Very high | 96 Ų | 96 | 61.4 Ų | 61.4 | 38% | 0.376 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.1 | 172.6 | -164.9 | -100.5 | 0 | 0 | 0 | 113 | G42 I43 Y44 F48 A118 L119 | G42-Y46 WeakPolarHBondContact O-CB 3.43Å; G42-Y46 PolarHBondContact O-N 2.8Å; I43-Y46 WeakPolarHBondContact O-CB 3.48Å; I43-Y46 PolarHBondContact O-N 2.82Å; Y44-Y46 PolarHBondContact O-N 3.12Å; Y46-F48 HydrophobicContact CD1-CD1 4.23Å; Y46-F48 HydrophobicContact CD1-CD2 4.12Å; Y46-F48 AromaticContact CD1-CE1 3.84Å; Y46-F48 HydrophobicContact CD1-CE1 3.84Å; Y46-F48 AromaticContact CD1-CE2 3.72Å; Y46-F48 HydrophobicContact CD1-CE2 3.72Å; Y46-F48 HydrophobicContact CD1-CG 4.36Å; Y46-F48 AromaticContact CD1-CZ 3.57Å; Y46-F48 HydrophobicContact CD1-CZ 3.57Å; Y46-F48 AromaticContact CE1-CE1 3.93Å; Y46-F48 HydrophobicContact CE1-CE1 3.93Å; Y46-F48 HydrophobicContact CE1-CE2 4.09Å; Y46-F48 AromaticContact CE1-CZ 3.56Å; Y46-F48 HydrophobicContact CE1-CZ 3.56Å; Y46-A118 HydrophobicContact CD2-CB 3.61Å; Y46-A118 HydrophobicContact CE2-CB 3.58Å; Y46-L119 HydrophobicContact CD1-CD2 4.21Å; Y46-L119 HydrophobicContact CD2-CD2 4.45Å; Y46-L119 HydrophobicContact CG-CD2 3.9Å |
| 47 | G | 92.9 | Very high | 93.7 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 56% | 0.557 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.6 | 13.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I43 Y44 A45 | I43-G47 PolarHBondContact O-N 2.89Å; Y44-G47 WeakPolarHBondContact O-CA 3.42Å; Y44-G47 PolarHBondContact O-N 3.44Å; A45-G47 PolarHBondContact O-N 2.72Å |
| 48 | F | 92 | Very high | 93.6 | Very high | 34 Ų | 34 | 55.8 Ų | 55.8 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | trans | -80.7 | 124.1 | 172.3 | -66.5 | -29.6 | 0 | 0 | 0 | 111 | F30 I43 Y44 Y46 A80 L119 | F30-F48 HydrophobicContact CE2-CB 3.86Å; F30-F48 HydrophobicContact CZ-CB 4.25Å; I43-F48 HydrophobicContact CG2-CB 3.86Å; I43-F48 HydrophobicContact CG2-CD2 4.23Å; I43-F48 PolarHBondContact O-N 2.84Å; Y44-F48 WeakPolarHBondContact CD1-O 3.34Å; Y46-F48 HydrophobicContact CD1-CD1 4.23Å; Y46-F48 HydrophobicContact CD1-CD2 4.12Å; Y46-F48 AromaticContact CD1-CE1 3.84Å; Y46-F48 HydrophobicContact CD1-CE1 3.84Å; Y46-F48 AromaticContact CD1-CE2 3.72Å; Y46-F48 HydrophobicContact CD1-CE2 3.72Å; Y46-F48 HydrophobicContact CD1-CG 4.36Å; Y46-F48 AromaticContact CD1-CZ 3.57Å; Y46-F48 HydrophobicContact CD1-CZ 3.57Å; Y46-F48 AromaticContact CE1-CE1 3.93Å; Y46-F48 HydrophobicContact CE1-CE1 3.93Å; Y46-F48 HydrophobicContact CE1-CE2 4.09Å; Y46-F48 AromaticContact CE1-CZ 3.56Å; Y46-F48 HydrophobicContact CE1-CZ 3.56Å; F48-A80 HydrophobicContact CE2-CB 3.58Å; F48-A80 HydrophobicContact CZ-CB 3.73Å; F48-L119 HydrophobicContact CD2-CD2 4.19Å; F48-L119 HydrophobicContact CE2-CD2 4.02Å | ||
| 49 | E | 89.7 | Confident | 93.5 | Very high | 164 Ų | 164 | 53.6 Ų | 53.6 | 77% | 0.766 | 27% | 0.265 | S | S | * | . | trans | -100.7 | -40.8 | 178.9 | -62.3 | -178.9 | 178.7 | 0 | 0 | 112.8 | ||||
| 50 | R | 90.9 | Very high | 93.4 | Very high | 211 Ų | 211 | 56.2 Ų | 56.2 | 80% | 0.796 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -136.5 | 142.1 | -178.5 | -65.8 | -174.8 | -178.6 | -178.3 | 0.6 | 111.2 | ||
| 51 | P | 92 | Very high | 93.3 | Very high | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.032 | 28% | 0.275 | C | S | . | . | trans | -69 | 139.8 | 176.7 | 28.4 | -35.3 | 0 | 0 | 0 | 111.5 | P28 F30 M33 Q55 Q56 | P28-P51 WeakPolarHBondContact O-CD 3.42Å; P28-P51 WeakPolarHBondContact O-CG 3.11Å; F30-P51 HydrophobicContact CD1-CB 4.23Å; F30-P51 HydrophobicContact CE1-CB 3.78Å; F30-P51 HydrophobicContact CE2-CB 4.24Å; F30-P51 HydrophobicContact CZ-CB 3.79Å; M33-P51 HydrophobicContact CE-CB 3.69Å; M33-P51 HydrophobicContact CE-CG 3.87Å; P51-Q55 HydrophobicContact CB-CB 3.78Å; P51-Q56 HydrophobicContact CB-CG 3.83Å; P51-Q56 HydrophobicContact CG-CG 3.66Å; P51-Q56 PolarHBondContact O-NE2 2.87Å | ||
| 52 | S | 88.1 | Confident | 93.3 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | trans | -68.7 | 163.8 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 111.8 | I54 Q55 Q56 T76 | S52-I54 PolarHBondContact O-N 3.32Å; S52-I54 VanDerWaalsContact O-N 3.09Å; S52-I54 WeakPolarHBondContact OG-CG2 3.41Å; S52-Q55 WeakPolarHBondContact O-CA 3.43Å; S52-Q55 WeakPolarHBondContact O-CB 3.39Å; S52-Q55 PolarHBondContact O-N 2.92Å; S52-Q55 WeakPolarHBondContact OG-CG 3.23Å; S52-Q56 VanDerWaalsContact O-CG 3.28Å; S52-Q56 WeakPolarHBondContact O-CG 3.38Å; S52-Q56 PolarHBondContact O-N 3.28Å; S52-T76 WeakPolarHBondContact CB-O 3.28Å; S52-T76 PolarHBondContact OG-O 2.84Å | ||
| 53 | A | 86.7 | Confident | 93.2 | Very high | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.2 | -36.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | R57 | A53-R57 PolarHBondContact O-NH1 3.16Å |
| 54 | I | 88.7 | Confident | 93.2 | Very high | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 176.2 | -169.1 | 60.4 | 0 | 0 | 0 | 111.8 | S52 Q56 R57 A58 A70 A72 T76 I229 | S52-I54 PolarHBondContact O-N 3.32Å; S52-I54 VanDerWaalsContact O-N 3.09Å; S52-I54 WeakPolarHBondContact OG-CG2 3.41Å; I54-Q56 PolarHBondContact O-N 3.01Å; I54-R57 PolarHBondContact O-N 3.41Å; I54-A58 HydrophobicContact CD1-CB 4.34Å; I54-A58 HydrophobicContact CG1-CB 4.43Å; I54-A58 VanDerWaalsContact O-CB 3.24Å; I54-A58 WeakPolarHBondContact O-CB 3.27Å; I54-A58 PolarHBondContact O-N 3.25Å; I54-A70 HydrophobicContact CD1-CB 4.05Å; I54-A72 HydrophobicContact CB-CB 4.04Å; I54-A72 HydrophobicContact CD1-CB 4.15Å; I54-A72 HydrophobicContact CG1-CB 3.85Å; I54-A72 HydrophobicContact CG2-CB 4.32Å; I54-T76 WeakPolarHBondContact CG2-O 3.44Å; I54-I229 HydrophobicContact CD1-CB 4.32Å; I54-I229 HydrophobicContact CD1-CG2 3.58Å |
| 55 | Q | 92.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 176.9 | -70 | 167.7 | -5.9 | 0 | 0 | 111.5 | P51 S52 R57 I59 G77 T81 | P51-Q55 HydrophobicContact CB-CB 3.78Å; S52-Q55 WeakPolarHBondContact O-CA 3.43Å; S52-Q55 WeakPolarHBondContact O-CB 3.39Å; S52-Q55 PolarHBondContact O-N 2.92Å; S52-Q55 WeakPolarHBondContact OG-CG 3.23Å; Q55-R57 PolarHBondContact O-N 2.85Å; Q55-R57 VanDerWaalsContact O-N 3.16Å; Q55-I59 HydrophobicContact CB-CD1 3.74Å; Q55-I59 HydrophobicContact CB-CG1 4.41Å; Q55-I59 HydrophobicContact CG-CD1 4.12Å; Q55-I59 WeakPolarHBondContact O-CG1 3.24Å; Q55-I59 PolarHBondContact O-N 2.94Å; Q55-G77 PolarHBondContact NE2-O 3.47Å; Q55-T81 WeakPolarHBondContact CG-OG1 3.32Å |
| 56 | Q | 92.2 | Very high | 93.1 | Very high | 46 Ų | 46 | 56 Ų | 56 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59 | -26 | 177.7 | -65.6 | 175.2 | 22.5 | 0 | 0 | 113.4 | V26 I27 P51 S52 I54 | V26-Q56 HydrophobicContact CG1-CB 3.97Å; V26-Q56 VanDerWaalsContact CG1-OE1 3.24Å; I27-Q56 PolarHBondContact N-O 2.65Å; I27-Q56 WeakPolarHBondContact O-CB 3.31Å; I27-Q56 VanDerWaalsContact O-CG 3.25Å; I27-Q56 WeakPolarHBondContact O-CG 3.01Å; P51-Q56 HydrophobicContact CB-CG 3.83Å; P51-Q56 HydrophobicContact CG-CG 3.66Å; P51-Q56 PolarHBondContact O-NE2 2.87Å; S52-Q56 VanDerWaalsContact O-CG 3.28Å; S52-Q56 WeakPolarHBondContact O-CG 3.38Å; S52-Q56 PolarHBondContact O-N 3.28Å; I54-Q56 PolarHBondContact O-N 3.01Å |
| 57 | R | 93 | Very high | 93.3 | Very high | 82 Ų | 82 | 52.1 Ų | 52.1 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -104.8 | -43 | -175.3 | -71.1 | 170.9 | 179.5 | 72.9 | -1.2 | 112.8 | I24 V26 A53 I54 Q55 Q61 I229 | I24-R57 HydrophobicContact CG2-CB 3.85Å; I24-R57 HydrophobicContact CG2-CG 4.12Å; V26-R57 HydrophobicContact CG2-CG 4.13Å; A53-R57 PolarHBondContact O-NH1 3.16Å; I54-R57 PolarHBondContact O-N 3.41Å; Q55-R57 PolarHBondContact O-N 2.85Å; Q55-R57 VanDerWaalsContact O-N 3.16Å; R57-Q61 WeakPolarHBondContact O-CG 3.28Å; R57-I229 HydrophobicContact CB-CD1 3.97Å; R57-I229 HydrophobicContact CB-CG1 4.47Å; R57-I229 HydrophobicContact CB-CG2 4.36Å |
| 58 | A | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -85.2 | -38.7 | -168 | 0 | 0 | 0 | 0 | 0 | 113.8 | I54 K60 Q61 I62 T81 I229 | I54-A58 HydrophobicContact CD1-CB 4.34Å; I54-A58 HydrophobicContact CG1-CB 4.43Å; I54-A58 VanDerWaalsContact O-CB 3.24Å; I54-A58 WeakPolarHBondContact O-CB 3.27Å; I54-A58 PolarHBondContact O-N 3.25Å; A58-K60 PolarHBondContact O-N 3.02Å; A58-Q61 PolarHBondContact O-N 2.92Å; A58-I62 HydrophobicContact CB-CD1 4.46Å; A58-I62 WeakPolarHBondContact O-CG1 3.46Å; A58-I62 PolarHBondContact O-N 3.25Å; A58-T81 HydrophobicContact CB-CG2 3.65Å; A58-I229 VanDerWaalsContact CA-CD1 3.45Å; A58-I229 HydrophobicContact CB-CD1 3.61Å |
| 59 | I | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | -171 | -66.6 | 174.3 | 0 | 0 | 0 | 111 | F30 M33 L35 Q55 Q61 I62 V63 T81 I84 | F30-I59 HydrophobicContact CE1-CD1 4.33Å; M33-I59 HydrophobicContact CE-CD1 4.29Å; M33-I59 HydrophobicContact SD-CB 4.04Å; M33-I59 HydrophobicContact SD-CD1 3.79Å; M33-I59 HydrophobicContact SD-CG1 4.49Å; M33-I59 HydrophobicContact SD-CG2 3.98Å; L35-I59 HydrophobicContact CD2-CG2 4.21Å; Q55-I59 HydrophobicContact CB-CD1 3.74Å; Q55-I59 HydrophobicContact CB-CG1 4.41Å; Q55-I59 HydrophobicContact CG-CD1 4.12Å; Q55-I59 WeakPolarHBondContact O-CG1 3.24Å; Q55-I59 PolarHBondContact O-N 2.94Å; I59-Q61 VanDerWaalsContact C-N 3.29Å; I59-Q61 PolarHBondContact O-N 2.85Å; I59-I62 PolarHBondContact O-N 3.44Å; I59-V63 HydrophobicContact CG2-CG2 4.21Å; I59-V63 WeakPolarHBondContact O-CB 3.4Å; I59-V63 VanDerWaalsContact O-CG2 3.27Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 2.94Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å; I59-I84 HydrophobicContact CD1-CB 4.25Å; I59-I84 HydrophobicContact CD1-CD1 4.06Å; I59-I84 HydrophobicContact CD1-CG2 4.02Å; I59-I84 HydrophobicContact CG2-CG2 4.06Å |
| 60 | K | 95.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 40.2 Ų | 40.2 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 179.7 | -178.3 | 164.9 | -174.5 | 171.6 | 0 | 113 | E25 I27 A58 K64 | E25-K60 IonicContact OE1-NZ 2.66Å; E25-K60 PolarHBondContact OE1-NZ 3.31Å; E25-K60 WeakPolarHBondContact OE2-CE 3.42Å; E25-K60 IonicContact OE2-NZ 3.84Å; E25-K60 PolarHBondContact OE2-NZ 3.3Å; I27-K60 HydrophobicContact CD1-CB 3.63Å; I27-K60 HydrophobicContact CD1-CD 3.28Å; I27-K60 HydrophobicContact CD1-CG 4.07Å; I27-K60 HydrophobicContact CG1-CD 4.34Å; A58-K60 PolarHBondContact O-N 3.02Å; K60-K64 HydrophobicContact CG-CD 4.2Å; K60-K64 WeakPolarHBondContact O-CB 3.25Å; K60-K64 WeakPolarHBondContact O-CG 3.41Å; K60-K64 PolarHBondContact O-N 3.46Å |
| 61 | Q | 96 | Very high | 93.5 | Very high | 17 Ų | 17 | 30.8 Ų | 30.8 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -42 | 179.7 | -56.7 | -59.4 | -27.6 | 0 | 0 | 111.1 | I24 R57 A58 I59 K64 R66 V68 V227 | I24-Q61 HydrophobicContact CG2-CG 4.46Å; R57-Q61 WeakPolarHBondContact O-CG 3.28Å; A58-Q61 PolarHBondContact O-N 2.92Å; I59-Q61 VanDerWaalsContact C-N 3.29Å; I59-Q61 PolarHBondContact O-N 2.85Å; Q61-K64 PolarHBondContact O-N 2.91Å; Q61-R66 WeakPolarHBondContact O-CB 3.48Å; Q61-R66 PolarHBondContact O-N 2.81Å; Q61-V68 HydrophobicContact CB-CG2 3.84Å; Q61-V227 HydrophobicContact CB-CG1 4.46Å; Q61-V227 HydrophobicContact CG-CG1 4.1Å |
| 62 | I | 97 | Very high | 93 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65 | -48.4 | 176.2 | -60.1 | 167.5 | 0 | 0 | 0 | 110 | A58 I59 K64 G65 V68 T81 S85 M89 L173 Q203 V205 | A58-I62 HydrophobicContact CB-CD1 4.46Å; A58-I62 WeakPolarHBondContact O-CG1 3.46Å; A58-I62 PolarHBondContact O-N 3.25Å; I59-I62 PolarHBondContact O-N 3.44Å; I62-K64 PolarHBondContact O-N 2.89Å; I62-G65 PolarHBondContact O-N 3.13Å; I62-V68 HydrophobicContact CG1-CB 4.05Å; I62-V68 HydrophobicContact CG1-CG1 4.4Å; I62-V68 HydrophobicContact CG1-CG2 3.69Å; I62-T81 HydrophobicContact CD1-CG2 4.3Å; I62-S85 VanDerWaalsContact CG2-CB 3.48Å; I62-M89 HydrophobicContact CG2-SD 4.22Å; I62-L173 HydrophobicContact CG2-CD2 4.5Å; I62-Q203 PolarHBondContact O-NE2 3.38Å; I62-V205 HydrophobicContact CD1-CG1 3.96Å; I62-V205 HydrophobicContact CD1-CG2 4.38Å; I62-V205 HydrophobicContact CG1-CG1 4.33Å; I62-V205 HydrophobicContact CG1-CG2 3.98Å; I62-V205 HydrophobicContact CG2-CG2 3.93Å |
| 63 | V | 96.6 | Very high | 92.3 | Very high | 48 Ų | 48 | 30.8 Ų | 30.8 | 29% | 0.291 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.8 | -29.7 | -179.7 | 172 | 0 | 0 | 0 | 0 | 112.5 | I59 G65 Q88 | I59-V63 HydrophobicContact CG2-CG2 4.21Å; I59-V63 WeakPolarHBondContact O-CB 3.4Å; I59-V63 VanDerWaalsContact O-CG2 3.27Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 2.94Å; V63-G65 PolarHBondContact O-N 3.28Å; V63-Q88 HydrophobicContact CB-CG 4.35Å; V63-Q88 HydrophobicContact CG1-CG 3.66Å; V63-Q88 HydrophobicContact CG2-CB 3.88Å; V63-Q88 HydrophobicContact CG2-CG 3.65Å |
| 64 | K | 95.1 | Very high | 91.5 | Very high | 124 Ų | 124 | 28 Ų | 28 | 54% | 0.539 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -3.7 | 172.6 | -79.4 | 176.4 | 175.8 | -177.7 | 0 | 114.2 | K60 Q61 I62 R66 | K60-K64 HydrophobicContact CG-CD 4.2Å; K60-K64 WeakPolarHBondContact O-CB 3.25Å; K60-K64 WeakPolarHBondContact O-CG 3.41Å; K60-K64 PolarHBondContact O-N 3.46Å; Q61-K64 PolarHBondContact O-N 2.91Å; I62-K64 PolarHBondContact O-N 2.89Å; K64-R66 HydrophobicContact CB-CG 4.39Å |
| 65 | G | 95.6 | Very high | 90.6 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 41% | 0.412 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 15.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I62 V63 | I62-G65 PolarHBondContact O-N 3.13Å; V63-G65 PolarHBondContact O-N 3.28Å |
| 66 | R | 95.8 | Very high | 89.8 | Confident | 92 Ų | 92 | 29.7 Ų | 29.7 | 35% | 0.347 | 15% | 0.151 | S | C | . | . | trans | -81.5 | 142.3 | 177 | -63.8 | -64.5 | -57.8 | -76.1 | -3.4 | 110.3 | Q61 K64 V68 Q203 N225 V227 | Q61-R66 WeakPolarHBondContact O-CB 3.48Å; Q61-R66 PolarHBondContact O-N 2.81Å; K64-R66 HydrophobicContact CB-CG 4.39Å; R66-V68 WeakPolarHBondContact O-CG2 3.37Å; R66-V68 PolarHBondContact O-N 2.92Å; R66-Q203 PolarHBondContact O-NE2 2.78Å; R66-N225 PolarHBondContact NH2-O 3.47Å; R66-V227 HydrophobicContact CB-CG2 4.04Å; R66-V227 HydrophobicContact CG-CG2 4.35Å | ||
| 67 | D | 96.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 27.9 Ų | 27.9 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | trans | -60.5 | 136.4 | 164.4 | -74.1 | -7.2 | 0 | 0 | 0 | 109.6 | Q203 V204 M223 T224 P226 V227 | D67-Q203 WeakPolarHBondContact OD1-CA 3.35Å; D67-V204 VanDerWaalsContact CA-O 3.23Å; D67-V204 WeakPolarHBondContact CA-O 3.31Å; D67-V204 PolarHBondContact OD1-N 2.88Å; D67-M223 HydrophobicContact CB-CB 4.18Å; D67-M223 HydrophobicContact CB-CE 3.73Å; D67-M223 WeakPolarHBondContact OD2-CA 3.46Å; D67-T224 PolarHBondContact OD2-N 3.16Å; D67-P226 HydrophobicContact CB-CB 4Å; D67-P226 CarbonylContact O-C 3.57Å; D67-P226 VanDerWaalsContact O-CA 3.3Å; D67-P226 WeakPolarHBondContact O-CA 3.36Å; D67-V227 PolarHBondContact O-N 3Å | ||
| 68 | V | 95.6 | Very high | 89 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.9 | -175.7 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | Q61 I62 R66 A70 V204 V205 L206 M223 V227 I229 | Q61-V68 HydrophobicContact CB-CG2 3.84Å; I62-V68 HydrophobicContact CG1-CB 4.05Å; I62-V68 HydrophobicContact CG1-CG1 4.4Å; I62-V68 HydrophobicContact CG1-CG2 3.69Å; R66-V68 WeakPolarHBondContact O-CG2 3.37Å; R66-V68 PolarHBondContact O-N 2.92Å; V68-A70 HydrophobicContact CG1-CB 4.02Å; V68-V204 PolarHBondContact N-O 2.93Å; V68-V204 VanDerWaalsContact N-O 3.12Å; V68-V205 HydrophobicContact CB-CG1 4.37Å; V68-V205 HydrophobicContact CB-CG2 4.35Å; V68-V205 CarbonylContact O-C 3.53Å; V68-V205 WeakPolarHBondContact O-CA 3.1Å; V68-L206 PolarHBondContact O-N 3.11Å; V68-M223 WeakPolarHBondContact O-CE 3.29Å; V68-V227 CarbonylContact C-O 3.53Å; V68-V227 WeakPolarHBondContact CA-O 3.15Å; V68-V227 HydrophobicContact CG2-CB 4.46Å; V68-I229 HydrophobicContact CG1-CD1 4.34Å |
| 69 | I | 94 | Very high | 88.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 111.1 | 165.5 | -62.6 | 168.4 | 0 | 0 | 0 | 106.2 | L206 M211 T219 M223 P226 V227 R228 I229 L230 | I69-L206 HydrophobicContact CG2-CD2 4.43Å; I69-M211 HydrophobicContact CG2-CE 3.28Å; I69-M211 HydrophobicContact CG2-SD 3.94Å; I69-T219 HydrophobicContact CD1-CG2 3.45Å; I69-T219 VanDerWaalsContact CD1-CG2 3.45Å; I69-T219 HydrophobicContact CG1-CG2 3.88Å; I69-M223 HydrophobicContact CD1-SD 3.98Å; I69-M223 HydrophobicContact CG1-CE 3.8Å; I69-M223 HydrophobicContact CG1-SD 3.6Å; I69-M223 VanDerWaalsContact CG1-SD 3.6Å; I69-P226 HydrophobicContact CD1-CB 3.89Å; I69-P226 HydrophobicContact CD1-CG 3.7Å; I69-P226 HydrophobicContact CG1-CB 4.01Å; I69-P226 HydrophobicContact CG1-CG 4.38Å; I69-V227 PolarHBondContact N-O 2.71Å; I69-R228 HydrophobicContact CB-CG 4.39Å; I69-R228 HydrophobicContact CD1-CG 4.26Å; I69-R228 CarbonylContact O-C 3.18Å; I69-R228 WeakPolarHBondContact O-CA 3.19Å; I69-I229 PolarHBondContact O-N 3.38Å; I69-L230 HydrophobicContact CG2-CD2 4.18Å |
| 70 | A | 91.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 112.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I54 V68 L206 L207 S208 I229 | I54-A70 HydrophobicContact CD1-CB 4.05Å; V68-A70 HydrophobicContact CG1-CB 4.02Å; A70-L206 PolarHBondContact N-O 3.07Å; A70-L207 HydrophobicContact CB-CD2 3.59Å; A70-L207 WeakPolarHBondContact O-CA 3.33Å; A70-S208 PolarHBondContact O-N 3.26Å; A70-S208 VanDerWaalsContact O-N 3.16Å; A70-I229 WeakPolarHBondContact CA-O 3.43Å; A70-I229 HydrophobicContact CB-CB 4.4Å |
| 71 | Q | 88.7 | Confident | 88.5 | Confident | 14 Ų | 14 | 23.6 Ų | 23.6 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.9 | 169.7 | -167.8 | -177 | 0.8 | 0 | 0 | 108.6 | S208 A209 M211 I229 L230 V231 | Q71-S208 VanDerWaalsContact CA-O 3.29Å; Q71-S208 WeakPolarHBondContact CA-O 3.39Å; Q71-A209 WeakPolarHBondContact CG-O 3.41Å; Q71-A209 PolarHBondContact NE2-O 2.87Å; Q71-A209 VanDerWaalsContact NE2-O 3.11Å; Q71-M211 HydrophobicContact CB-CE 3.88Å; Q71-M211 HydrophobicContact CB-CG 4.17Å; Q71-M211 HydrophobicContact CG-CG 4.13Å; Q71-I229 PolarHBondContact N-O 2.92Å; Q71-L230 HydrophobicContact CB-CD2 3.99Å; Q71-V231 WeakPolarHBondContact O-CG2 3.42Å; Q71-V231 PolarHBondContact OE1-O 3.27Å |
| 72 | A | 80.9 | Confident | 88.5 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | trans | -153.4 | 151.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I54 T76 K78 S208 A209 | I54-A72 HydrophobicContact CB-CB 4.04Å; I54-A72 HydrophobicContact CD1-CB 4.15Å; I54-A72 HydrophobicContact CG1-CB 3.85Å; I54-A72 HydrophobicContact CG2-CB 4.32Å; A72-T76 WeakPolarHBondContact CB-OG1 3.5Å; A72-K78 HydrophobicContact CB-CD 3.91Å; A72-K78 HydrophobicContact CB-CG 3.82Å; A72-K78 WeakPolarHBondContact O-CD 3.14Å; A72-K78 WeakPolarHBondContact O-CE 3.49Å; A72-K78 PolarHBondContact O-NZ 3.31Å; A72-S208 PolarHBondContact N-O 3.32Å; A72-A209 WeakPolarHBondContact O-CA 3.35Å | ||
| 73 | Q | 74.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 22.9 Ų | 22.9 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | trans | -59.8 | 161.6 | 179.4 | -53.9 | 173.3 | -18 | 0 | 0 | 111.7 | T76 E235 L236 T237 L238 | Q73-T76 HydrophobicContact CB-CG2 3.76Å; Q73-T76 PolarHBondContact O-OG1 3.4Å; Q73-E235 PolarHBondContact NE2-O 3.26Å; Q73-L236 HydrophobicContact CG-CD2 4.41Å; Q73-L236 WeakPolarHBondContact CG-O 3.45Å; Q73-L236 PolarHBondContact NE2-O 3.36Å; Q73-T237 PolarHBondContact NE2-O 3.46Å; Q73-L238 HydrophobicContact CB-CD2 4.3Å | ||
| 74 | S | 69.2 | Low | 88.5 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.028 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 143.6 | 171.2 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | T76 R357 | S74-T76 VanDerWaalsContact C-N 3.3Å; S74-T76 PolarHBondContact O-N 3.15Å; S74-R357 PolarHBondContact OG-NH2 3.1Å; S74-R357 VanDerWaalsContact OG-NH2 3.12Å |
| 75 | G | 70.7 | Confident | 88.6 | Confident | 17 Ų | 17 | 14.7 Ų | 14.7 | 18% | 0.175 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 8.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | F361 | G75-F361 PolarHBondContact O-N 3.22Š|
| 76 | T | 75.1 | Confident | 88.7 | Confident | 35 Ų | 35 | 12.8 Ų | 12.8 | 22% | 0.215 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -91.8 | 7 | -180 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | S52 I54 A72 Q73 S74 | S52-T76 WeakPolarHBondContact CB-O 3.28Å; S52-T76 PolarHBondContact OG-O 2.84Å; I54-T76 WeakPolarHBondContact CG2-O 3.44Å; A72-T76 WeakPolarHBondContact CB-OG1 3.5Å; Q73-T76 HydrophobicContact CB-CG2 3.76Å; Q73-T76 PolarHBondContact O-OG1 3.4Å; S74-T76 VanDerWaalsContact C-N 3.3Å; S74-T76 PolarHBondContact O-N 3.15Å |
| 77 | G | 82.1 | Confident | 88.9 | Confident | 7 Ų | 7 | 8.4 Ų | 8.4 | 7% | 0.072 | 5% | 0.053 | C | C | . | . | S | Bend | trans | 89.2 | 23.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q55 A80 T81 | Q55-G77 PolarHBondContact NE2-O 3.47Å; G77-A80 PolarHBondContact O-N 3.35Å; G77-T81 PolarHBondContact O-N 2.62Å; G77-T81 PolarHBondContact O-OG1 3.27Å |
| 78 | K | 87.1 | Confident | 88.9 | Confident | 15 Ų | 15 | 9.6 Ų | 9.6 | 7% | 0.065 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -54.3 | -49.9 | 172.6 | -71.8 | -172.5 | -72.2 | -169.7 | 0 | 112.9 | A72 A80 T81 L82 L207 | A72-K78 HydrophobicContact CB-CD 3.91Å; A72-K78 HydrophobicContact CB-CG 3.82Å; A72-K78 WeakPolarHBondContact O-CD 3.14Å; A72-K78 WeakPolarHBondContact O-CE 3.49Å; A72-K78 PolarHBondContact O-NZ 3.31Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 3.18Å; K78-T81 VanDerWaalsContact O-CB 3.23Å; K78-T81 WeakPolarHBondContact O-CB 3.4Å; K78-T81 PolarHBondContact O-N 3.41Å; K78-T81 VanDerWaalsContact O-N 3.13Å; K78-L82 PolarHBondContact O-N 3.13Å; K78-L207 HydrophobicContact CB-CD1 4.47Å |
| 79 | T | 89.1 | Confident | 89 | Confident | 26 Ų | 26 | 11.5 Ų | 11.5 | 16% | 0.16 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.4 | -37.9 | 178.3 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | L82 G83 I112 V115 | T79-L82 WeakPolarHBondContact O-CB 3.5Å; T79-L82 PolarHBondContact O-N 3.04Å; T79-G83 PolarHBondContact O-N 3.06Å; T79-I112 HydrophobicContact CG2-CG1 3.78Å; T79-V115 HydrophobicContact CG2-CB 4.27Å; T79-V115 HydrophobicContact CG2-CG1 4.31Å; T79-V115 HydrophobicContact CG2-CG2 4.13Å |
| 80 | A | 92.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 11.9 Ų | 11.9 | 5% | 0.05 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -69.9 | -39.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F48 G77 K78 L82 G83 I84 | F48-A80 HydrophobicContact CE2-CB 3.58Å; F48-A80 HydrophobicContact CZ-CB 3.73Å; G77-A80 PolarHBondContact O-N 3.35Å; K78-A80 VanDerWaalsContact C-N 3.29Å; K78-A80 PolarHBondContact O-N 3.18Å; A80-L82 PolarHBondContact O-N 3.09Å; A80-G83 PolarHBondContact O-N 3.02Å; A80-I84 WeakPolarHBondContact O-CB 3.33Å; A80-I84 VanDerWaalsContact O-CG1 3.24Å; A80-I84 WeakPolarHBondContact O-CG1 3.27Å; A80-I84 PolarHBondContact O-N 3.16Å |
| 81 | T | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -53.7 | -47.1 | 171.9 | -55 | 0 | 0 | 0 | 0 | 110.2 | Q55 A58 I59 I62 G77 K78 S85 | Q55-T81 WeakPolarHBondContact CG-OG1 3.32Å; A58-T81 HydrophobicContact CB-CG2 3.65Å; I59-T81 HydrophobicContact CG1-CG2 3.86Å; I62-T81 HydrophobicContact CD1-CG2 4.3Å; G77-T81 PolarHBondContact O-N 2.62Å; G77-T81 PolarHBondContact O-OG1 3.27Å; K78-T81 VanDerWaalsContact O-CB 3.23Å; K78-T81 WeakPolarHBondContact O-CB 3.4Å; K78-T81 PolarHBondContact O-N 3.41Å; K78-T81 VanDerWaalsContact O-N 3.13Å; T81-S85 VanDerWaalsContact O-CB 3.31Å; T81-S85 WeakPolarHBondContact O-CB 3.4Å; T81-S85 PolarHBondContact O-N 3.32Å; T81-S85 VanDerWaalsContact O-N 3.07Å; T81-S85 PolarHBondContact O-OG 3.08Å |
| 82 | L | 94.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.8 | -52.9 | 176.5 | 177.9 | 59.7 | 0 | 0 | 0 | 112.1 | K78 T79 A80 I84 S85 I86 V101 I112 V175 L207 | K78-L82 PolarHBondContact O-N 3.13Å; T79-L82 WeakPolarHBondContact O-CB 3.5Å; T79-L82 PolarHBondContact O-N 3.04Å; A80-L82 PolarHBondContact O-N 3.09Å; L82-I84 PolarHBondContact O-N 3.08Å; L82-S85 PolarHBondContact O-N 2.97Å; L82-I86 HydrophobicContact CD1-CD1 3.47Å; L82-I86 VanDerWaalsContact CD1-CD1 3.47Å; L82-I86 HydrophobicContact CD1-CG1 3.78Å; L82-I86 HydrophobicContact CD2-CD1 4.27Å; L82-I86 HydrophobicContact CG-CD1 3.61Å; L82-I86 HydrophobicContact CG-CG1 4.28Å; L82-I86 WeakPolarHBondContact O-CB 3.34Å; L82-I86 WeakPolarHBondContact O-CG1 3.39Å; L82-I86 PolarHBondContact O-N 3.38Å; L82-V101 HydrophobicContact CD2-CB 4.44Å; L82-V101 HydrophobicContact CD2-CG1 3.6Å; L82-V101 HydrophobicContact CD2-CG2 3.95Å; L82-I112 HydrophobicContact CD2-CG2 4.43Å; L82-V175 HydrophobicContact CD1-CB 3.84Å; L82-V175 HydrophobicContact CD1-CG1 3.51Å; L82-V175 HydrophobicContact CD1-CG2 3.41Å; L82-V175 VanDerWaalsContact CD1-CG2 3.41Å; L82-V175 HydrophobicContact CD2-CG1 3.86Å; L82-V175 HydrophobicContact CG-CG1 4.3Å; L82-L207 HydrophobicContact CB-CD1 4.03Å |
| 83 | G | 96.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.1 | -48.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T79 A80 L87 | T79-G83 PolarHBondContact O-N 3.06Å; A80-G83 PolarHBondContact O-N 3.02Å; G83-L87 VanDerWaalsContact O-CB 3.32Å; G83-L87 WeakPolarHBondContact O-CB 2.97Å; G83-L87 WeakPolarHBondContact O-CD1 3.23Å; G83-L87 WeakPolarHBondContact O-CG 3.29Å; G83-L87 PolarHBondContact O-N 3.31Å |
| 84 | I | 97.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -48 | 177.5 | -64.7 | 169.8 | 0 | 0 | 0 | 110.7 | F30 L35 L39 I43 I59 A80 L82 L87 Q88 L119 | F30-I84 HydrophobicContact CD1-CD1 4.31Å; F30-I84 HydrophobicContact CE1-CD1 3.64Å; F30-I84 HydrophobicContact CZ-CD1 4.32Å; L35-I84 HydrophobicContact CD1-CG2 3.71Å; L35-I84 HydrophobicContact CD2-CG2 4.11Å; L39-I84 HydrophobicContact CD2-CG2 4.15Å; L39-I84 WeakPolarHBondContact CD2-O 3.26Å; I43-I84 HydrophobicContact CD1-CD1 3.78Å; I43-I84 HydrophobicContact CD1-CG1 3.82Å; I43-I84 HydrophobicContact CD1-CG2 3.95Å; I43-I84 HydrophobicContact CG1-CD1 3.97Å; I43-I84 HydrophobicContact CG1-CG1 3.94Å; I59-I84 HydrophobicContact CD1-CB 4.25Å; I59-I84 HydrophobicContact CD1-CD1 4.06Å; I59-I84 HydrophobicContact CD1-CG2 4.02Å; I59-I84 HydrophobicContact CG2-CG2 4.06Å; A80-I84 WeakPolarHBondContact O-CB 3.33Å; A80-I84 VanDerWaalsContact O-CG1 3.24Å; A80-I84 WeakPolarHBondContact O-CG1 3.27Å; A80-I84 PolarHBondContact O-N 3.16Å; L82-I84 PolarHBondContact O-N 3.08Å; I84-L87 PolarHBondContact O-N 2.8Å; I84-Q88 WeakPolarHBondContact O-CB 3.42Å; I84-Q88 PolarHBondContact O-N 3.16Å; I84-L119 HydrophobicContact CG1-CD1 4.02Å |
| 85 | S | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66 | -42.5 | -177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | I62 T81 L82 M89 | I62-S85 VanDerWaalsContact CG2-CB 3.48Å; T81-S85 VanDerWaalsContact O-CB 3.31Å; T81-S85 WeakPolarHBondContact O-CB 3.4Å; T81-S85 PolarHBondContact O-N 3.32Å; T81-S85 VanDerWaalsContact O-N 3.07Å; T81-S85 PolarHBondContact O-OG 3.08Å; L82-S85 PolarHBondContact O-N 2.97Å; S85-M89 VanDerWaalsContact O-CG 3.31Å; S85-M89 WeakPolarHBondContact O-CG 3.36Å; S85-M89 PolarHBondContact O-N 2.79Å |
| 86 | I | 98 | Very high | 94 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58 | -56.2 | 174.2 | -73 | 170.5 | 0 | 0 | 0 | 109.3 | L82 Q88 M89 L90 A99 V101 I116 V149 L173 | L82-I86 HydrophobicContact CD1-CD1 3.47Å; L82-I86 VanDerWaalsContact CD1-CD1 3.47Å; L82-I86 HydrophobicContact CD1-CG1 3.78Å; L82-I86 HydrophobicContact CD2-CD1 4.27Å; L82-I86 HydrophobicContact CG-CD1 3.61Å; L82-I86 HydrophobicContact CG-CG1 4.28Å; L82-I86 WeakPolarHBondContact O-CB 3.34Å; L82-I86 WeakPolarHBondContact O-CG1 3.39Å; L82-I86 PolarHBondContact O-N 3.38Å; I86-Q88 VanDerWaalsContact C-N 3.27Å; I86-Q88 PolarHBondContact O-N 2.86Å; I86-M89 PolarHBondContact O-N 2.87Å; I86-L90 HydrophobicContact CG2-CD1 4.14Å; I86-L90 HydrophobicContact CG2-CD2 4.29Å; I86-L90 HydrophobicContact CG2-CG 4.14Å; I86-L90 WeakPolarHBondContact O-CG 3.26Å; I86-L90 PolarHBondContact O-N 2.92Å; I86-A99 HydrophobicContact CD1-CB 4.31Å; I86-A99 HydrophobicContact CG1-CB 4.12Å; I86-A99 HydrophobicContact CG2-CB 3.66Å; I86-V101 HydrophobicContact CD1-CG2 3.49Å; I86-V101 VanDerWaalsContact CD1-CG2 3.49Å; I86-I116 HydrophobicContact CD1-CD1 3.94Å; I86-V149 HydrophobicContact CD1-CG1 4.41Å; I86-V149 HydrophobicContact CG2-CG1 4.34Å; I86-V149 HydrophobicContact CG2-CG2 3.54Å; I86-L173 HydrophobicContact CG1-CD2 3.69Å |
| 87 | L | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | -174.9 | -74 | 169.8 | 0 | 0 | 0 | 111.6 | L39 G83 I84 M89 L90 I116 L119 M123 V125 | L39-L87 HydrophobicContact CD1-CB 3.72Å; L39-L87 HydrophobicContact CD1-CD1 3.6Å; L39-L87 HydrophobicContact CD1-CG 4.31Å; L39-L87 HydrophobicContact CD2-CB 3.99Å; L39-L87 HydrophobicContact CG-CB 4.46Å; G83-L87 VanDerWaalsContact O-CB 3.32Å; G83-L87 WeakPolarHBondContact O-CB 2.97Å; G83-L87 WeakPolarHBondContact O-CD1 3.23Å; G83-L87 WeakPolarHBondContact O-CG 3.29Å; G83-L87 PolarHBondContact O-N 3.31Å; I84-L87 PolarHBondContact O-N 2.8Å; L87-M89 PolarHBondContact O-N 2.88Å; L87-L90 HydrophobicContact CD2-CD1 4.15Å; L87-L90 PolarHBondContact O-N 3.24Å; L87-I116 HydrophobicContact CD2-CG2 4.04Å; L87-I116 HydrophobicContact CG-CG2 4.44Å; L87-L119 HydrophobicContact CD1-CB 3.57Å; L87-M123 HydrophobicContact CB-CE 3.8Å; L87-M123 HydrophobicContact CB-SD 3.87Å; L87-M123 HydrophobicContact CD1-SD 4.4Å; L87-M123 HydrophobicContact CD2-CE 4.05Å; L87-M123 HydrophobicContact CD2-SD 3.9Å; L87-M123 HydrophobicContact CG-SD 4.26Å; L87-M123 WeakPolarHBondContact O-CE 3.46Å; L87-V125 HydrophobicContact CD2-CB 4.04Å; L87-V125 HydrophobicContact CD2-CG1 3.94Å; L87-V125 HydrophobicContact CD2-CG2 3.87Å |
| 88 | Q | 98.2 | Very high | 95.9 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 18% | 0.178 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -33.6 | 177.1 | -179.3 | 58.7 | 22 | 0 | 0 | 112.7 | L35 L39 V63 I84 I86 | L35-Q88 HydrophobicContact CD2-CB 4.12Å; L35-Q88 HydrophobicContact CD2-CG 3.89Å; L39-Q88 HydrophobicContact CD2-CB 3.8Å; V63-Q88 HydrophobicContact CB-CG 4.35Å; V63-Q88 HydrophobicContact CG1-CG 3.66Å; V63-Q88 HydrophobicContact CG2-CB 3.88Å; V63-Q88 HydrophobicContact CG2-CG 3.65Å; I84-Q88 WeakPolarHBondContact O-CB 3.42Å; I84-Q88 PolarHBondContact O-N 3.16Å; I86-Q88 VanDerWaalsContact C-N 3.27Å; I86-Q88 PolarHBondContact O-N 2.86Å |
| 89 | M | 96.8 | Very high | 96.5 | Very high | 40 Ų | 40 | 30.7 Ų | 30.7 | 20% | 0.197 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -86.3 | -14.1 | -177.7 | -66.1 | -176.2 | 70.4 | 0 | 0 | 113.6 | I62 S85 I86 L87 K172 L173 | I62-M89 HydrophobicContact CG2-SD 4.22Å; S85-M89 VanDerWaalsContact O-CG 3.31Å; S85-M89 WeakPolarHBondContact O-CG 3.36Å; S85-M89 PolarHBondContact O-N 2.79Å; I86-M89 PolarHBondContact O-N 2.87Å; L87-M89 PolarHBondContact O-N 2.88Å; M89-K172 WeakPolarHBondContact O-CE 3.2Å; M89-K172 PolarHBondContact O-NZ 2.8Å; M89-L173 HydrophobicContact SD-CD2 4.17Å |
| 90 | L | 97.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 29.5 Ų | 29.5 | 5% | 0.047 | 14% | 0.144 | C | C | . | . | trans | -73.2 | 140.8 | -175.1 | -68.3 | 177.7 | 0 | 0 | 0 | 113.1 | R36 I86 L87 T92 Q98 V125 H148 V149 | R36-L90 PolarHBondContact NH1-O 2.88Å; R36-L90 VanDerWaalsContact NH1-O 3.1Å; I86-L90 HydrophobicContact CG2-CD1 4.14Å; I86-L90 HydrophobicContact CG2-CD2 4.29Å; I86-L90 HydrophobicContact CG2-CG 4.14Å; I86-L90 WeakPolarHBondContact O-CG 3.26Å; I86-L90 PolarHBondContact O-N 2.92Å; L87-L90 HydrophobicContact CD2-CD1 4.15Å; L87-L90 PolarHBondContact O-N 3.24Å; L90-T92 HydrophobicContact CB-CG2 4.49Å; L90-Q98 HydrophobicContact CD2-CB 3.7Å; L90-V125 HydrophobicContact CD1-CG2 3.56Å; L90-H148 HydrophobicContact CD1-CB 3.99Å; L90-H148 HydrophobicContact CD2-CB 4.24Å; L90-V149 HydrophobicContact CD1-CG2 3.64Å; L90-V149 HydrophobicContact CD2-CG2 4.16Å; L90-V149 HydrophobicContact CG-CG2 4.44Å | ||
| 91 | D | 97.2 | Very high | 97.2 | Very high | 72 Ų | 72 | 29.2 Ų | 29.2 | 39% | 0.385 | 14% | 0.141 | S | C | . | . | trans | -93.6 | 107.9 | 157.2 | 176.5 | 2.4 | 0 | 0 | 0 | 108.6 | Q93 L94 Q98 | D91-Q93 VanDerWaalsContact C-N 3.25Å; D91-Q93 PolarHBondContact O-N 3.16Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.42Å; D91-Q93 PolarHBondContact OD1-N 2.79Å; D91-L94 PolarHBondContact O-N 3.22Å; D91-Q98 PolarHBondContact O-NE2 2.93Å | ||
| 92 | T | 95.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 26% | 0.264 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -79.6 | -5.6 | -177.1 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | L90 M123 H148 | L90-T92 HydrophobicContact CB-CG2 4.49Å; T92-M123 HydrophobicContact CG2-CB 4.39Å; T92-M123 WeakPolarHBondContact CG2-O 3.35Å; T92-H148 PolarHBondContact O-NE2 3.28Å |
| 93 | Q | 96.2 | Very high | 97.3 | Very high | 180 Ų | 180 | 29.1 Ų | 29.1 | 84% | 0.841 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -81.5 | -31.8 | 173.3 | -58.2 | -174.1 | -10.8 | 0 | 0 | 111.4 | D91 R95 | D91-Q93 VanDerWaalsContact C-N 3.25Å; D91-Q93 PolarHBondContact O-N 3.16Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.42Å; D91-Q93 PolarHBondContact OD1-N 2.79Å; Q93-R95 PolarHBondContact O-N 3.36Å |
| 94 | L | 96.7 | Very high | 97.1 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 36% | 0.361 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -85.7 | 103.1 | 176.3 | -178.8 | 62.6 | 0 | 0 | 0 | 111 | D91 E96 Q98 H148 A170 | D91-L94 PolarHBondContact O-N 3.22Å; L94-E96 HydrophobicContact CD1-CG 4.02Å; L94-E96 HydrophobicContact CG-CB 4.18Å; L94-E96 HydrophobicContact CG-CG 4.21Å; L94-E96 PolarHBondContact O-N 2.63Å; L94-Q98 PolarHBondContact O-NE2 3.49Å; L94-Q98 VanDerWaalsContact O-NE2 3.14Å; L94-H148 PolarHBondContact O-CD2 3Å; L94-H148 VanDerWaalsContact O-CD2 3.24Å; L94-A170 HydrophobicContact CD2-CB 4.33Å |
| 95 | R | 95.4 | Very high | 96.7 | Very high | 102 Ų | 102 | 29.6 Ų | 29.6 | 39% | 0.385 | 14% | 0.143 | S | C | . | . | trans | -76.8 | 55.2 | -178.1 | -154.9 | -178.4 | -176 | 123.3 | 25.2 | 114 | Q93 Y145 G146 | Q93-R95 PolarHBondContact O-N 3.36Å; R95-Y145 VanDerWaalsContact CD-O 3.28Å; R95-Y145 WeakPolarHBondContact CD-O 3.46Å; R95-Y145 PolarHBondContact NE-O 3.38Å; R95-Y145 PolarHBondContact NH1-OH 2.95Å; R95-Y145 PolarHBondContact NH2-OH 2.74Å; R95-Y145 VanDerWaalsContact NH2-OH 3.14Å; R95-G146 PolarHBondContact NE-O 2.65Å; R95-G146 WeakPolarHBondContact O-CA 3.48Å | ||
| 96 | E | 97.6 | Very high | 96.4 | Very high | 42 Ų | 42 | 33.3 Ų | 33.3 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -135.3 | 158 | 178.4 | -62.3 | -172.5 | -166.6 | 0 | 0 | 111 | L94 Q98 Q147 H148 R169 A170 | L94-E96 HydrophobicContact CD1-CG 4.02Å; L94-E96 HydrophobicContact CG-CB 4.18Å; L94-E96 HydrophobicContact CG-CG 4.21Å; L94-E96 PolarHBondContact O-N 2.63Å; E96-Q98 PolarHBondContact O-N 3.09Å; E96-Q147 CarbonylContact C-O 3.54Å; E96-H148 WeakPolarHBondContact O-CA 3.43Å; E96-R169 IonicContact OE1-CZ 2.66Å; E96-R169 VanDerWaalsContact OE1-CZ 3.32Å; E96-R169 IonicContact OE1-NE 2.79Å; E96-R169 PolarHBondContact OE1-NE 3.31Å; E96-R169 IonicContact OE1-NH2 2.91Å; E96-R169 PolarHBondContact OE1-NH2 3.14Å; E96-R169 WeakPolarHBondContact OE2-CG 3.4Å; E96-R169 IonicContact OE2-CZ 3.71Å; E96-R169 IonicContact OE2-NE 2.92Å; E96-R169 PolarHBondContact OE2-NE 2.9Å; E96-R169 IonicContact OE2-NH2 3.19Å; E96-A170 HydrophobicContact CB-CB 3.86Å |
| 97 | T | 98.6 | Very high | 95.9 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 5% | 0.049 | 16% | 0.16 | C | C | . | . | trans | -70.7 | 117.6 | 179.3 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | A99 Q147 I150 L166 A170 V171 | T97-A99 WeakPolarHBondContact CG2-O 3.37Å; T97-Q147 WeakPolarHBondContact CA-O 3.4Å; T97-Q147 WeakPolarHBondContact CB-O 3.46Å; T97-Q147 PolarHBondContact N-O 2.82Å; T97-Q147 PolarHBondContact OG1-O 3.24Å; T97-I150 HydrophobicContact CG2-CB 4.16Å; T97-I150 HydrophobicContact CG2-CG1 3.63Å; T97-L166 HydrophobicContact CG2-CD1 4.15Å; T97-A170 CarbonylContact O-C 3.5Å; T97-A170 VanDerWaalsContact O-C 3.26Å; T97-V171 HydrophobicContact CG2-CG2 4.11Å; T97-V171 WeakPolarHBondContact O-CG2 3.48Å; T97-V171 PolarHBondContact O-N 3.35Å | ||
| 98 | Q | 98.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | trans | -110.7 | -26.2 | -178.5 | -69.7 | 171.2 | 55.6 | 0 | 0 | 112.6 | L90 D91 L94 E96 H148 A170 V171 K172 L173 | L90-Q98 HydrophobicContact CD2-CB 3.7Å; D91-Q98 PolarHBondContact O-NE2 2.93Å; L94-Q98 PolarHBondContact O-NE2 3.49Å; L94-Q98 VanDerWaalsContact O-NE2 3.14Å; E96-Q98 PolarHBondContact O-N 3.09Å; Q98-H148 PolarHBondContact N-O 2.81Å; Q98-A170 WeakPolarHBondContact CA-O 3.48Å; Q98-A170 HydrophobicContact CG-CB 4.28Å; Q98-V171 WeakPolarHBondContact O-CA 3.49Å; Q98-K172 PolarHBondContact O-N 3.41Å; Q98-L173 PolarHBondContact O-N 2.71Å | ||
| 99 | A | 98.6 | Very high | 95.3 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 2% | 0.017 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 134.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | I86 T97 H148 V149 I150 L173 | I86-A99 HydrophobicContact CD1-CB 4.31Å; I86-A99 HydrophobicContact CG1-CB 4.12Å; I86-A99 HydrophobicContact CG2-CB 3.66Å; T97-A99 WeakPolarHBondContact CG2-O 3.37Å; A99-H148 PolarHBondContact N-O 2.67Å; A99-V149 HydrophobicContact CB-CG1 4.21Å; A99-V149 HydrophobicContact CB-CG2 4.33Å; A99-V149 WeakPolarHBondContact O-CA 3.46Å; A99-I150 PolarHBondContact O-N 2.92Å; A99-L173 WeakPolarHBondContact CA-O 3.43Å; A99-L173 HydrophobicContact CB-CB 4.31Å |
| 100 | L | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 121.6 | 175.9 | -180 | 63.1 | 0 | 0 | 0 | 109.8 | L102 I150 V157 L166 V171 L173 F174 V175 V194 L198 | L100-L102 HydrophobicContact CG-CD2 4.47Å; L100-I150 CarbonylContact C-O 3.48Å; L100-I150 WeakPolarHBondContact CA-O 3.45Å; L100-I150 HydrophobicContact CD1-CB 3.76Å; L100-I150 HydrophobicContact CD1-CG2 3.71Å; L100-V157 HydrophobicContact CD1-CG1 3.8Å; L100-V157 HydrophobicContact CD1-CG2 4.46Å; L100-V157 HydrophobicContact CD2-CG1 4.02Å; L100-V157 HydrophobicContact CG-CG1 4.45Å; L100-L166 HydrophobicContact CD1-CD2 4.33Å; L100-V171 HydrophobicContact CB-CG1 4.19Å; L100-L173 PolarHBondContact N-O 2.7Å; L100-F174 HydrophobicContact CB-CD2 4.19Å; L100-F174 HydrophobicContact CD2-CD2 4.02Å; L100-F174 HydrophobicContact CD2-CE2 3.98Å; L100-F174 HydrophobicContact CG-CD2 4.12Å; L100-F174 HydrophobicContact CG-CE2 4.26Å; L100-F174 CarbonylContact O-C 3.59Å; L100-F174 WeakPolarHBondContact O-CA 3.42Å; L100-V175 PolarHBondContact O-N 3.5Å; L100-V194 HydrophobicContact CD2-CG1 3.52Å; L100-L198 HydrophobicContact CD2-CD2 4.08Å |
| 101 | V | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.8 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | L82 I86 I112 V149 I150 S151 G152 V175 D177 | L82-V101 HydrophobicContact CD2-CB 4.44Å; L82-V101 HydrophobicContact CD2-CG1 3.6Å; L82-V101 HydrophobicContact CD2-CG2 3.95Å; I86-V101 HydrophobicContact CD1-CG2 3.49Å; I86-V101 VanDerWaalsContact CD1-CG2 3.49Å; V101-I112 HydrophobicContact CG1-CD1 3.98Å; V101-I112 HydrophobicContact CG1-CG2 4.38Å; V101-V149 HydrophobicContact CG2-CG1 4.5Å; V101-I150 PolarHBondContact N-O 3.42Å; V101-S151 CarbonylContact O-C 3.52Å; V101-S151 WeakPolarHBondContact O-CA 3.35Å; V101-G152 PolarHBondContact O-N 2.9Å; V101-V175 WeakPolarHBondContact CA-O 3.31Å; V101-V175 HydrophobicContact CB-CB 4.48Å; V101-V175 HydrophobicContact CG1-CB 4.24Å; V101-V175 HydrophobicContact CG1-CG1 4.31Å; V101-V175 HydrophobicContact CG2-CB 4.21Å; V101-D177 HydrophobicContact CG1-CB 4.48Å |
| 102 | L | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 141.1 | 170.1 | -58.4 | -172.8 | 0 | 0 | 0 | 110.8 | L100 G152 P154 V157 F174 V175 L176 D177 M182 I191 V194 | L100-L102 HydrophobicContact CG-CD2 4.47Å; L102-G152 CarbonylContact C-O 3.39Å; L102-G152 WeakPolarHBondContact CA-O 3.35Å; L102-P154 HydrophobicContact CB-CG 4.41Å; L102-P154 HydrophobicContact CD1-CB 4.42Å; L102-P154 HydrophobicContact CD1-CG 4.23Å; L102-V157 HydrophobicContact CD2-CB 3.99Å; L102-V157 HydrophobicContact CD2-CG1 3.94Å; L102-V157 HydrophobicContact CD2-CG2 3.85Å; L102-F174 HydrophobicContact CD1-CE2 3.62Å; L102-F174 HydrophobicContact CD1-CZ 3.54Å; L102-F174 HydrophobicContact CG-CE2 3.69Å; L102-F174 HydrophobicContact CG-CZ 4.08Å; L102-V175 PolarHBondContact N-O 3.16Å; L102-L176 HydrophobicContact CB-CD2 3.99Å; L102-L176 HydrophobicContact CD1-CD2 3.98Å; L102-L176 HydrophobicContact CG-CD2 4.29Å; L102-D177 PolarHBondContact O-N 3.44Å; L102-M182 HydrophobicContact CB-CE 4.3Å; L102-M182 HydrophobicContact CB-SD 3.9Å; L102-I191 HydrophobicContact CD1-CG1 4.17Å; L102-V194 HydrophobicContact CD1-CB 4.3Å; L102-V194 HydrophobicContact CD1-CG1 4.21Å; L102-V194 HydrophobicContact CD1-CG2 4.38Å |
| 103 | S | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -140 | 150.9 | 179.1 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | T105 I112 G152 T153 P154 | S103-T105 VanDerWaalsContact C-N 3.31Å; S103-T105 PolarHBondContact O-N 2.98Å; S103-I112 WeakPolarHBondContact OG-CD1 3.12Å; S103-G152 PolarHBondContact N-O 3.07Å; S103-T153 WeakPolarHBondContact O-CA 3.42Å; S103-P154 WeakPolarHBondContact O-CD 3.34Å | ||
| 104 | P | 91.8 | Very high | 94.9 | Very high | 6 Ų | 6 | 24.6 Ų | 24.6 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -73.6 | -18 | -176.3 | 28.3 | -37.3 | 0 | 0 | 0 | 114.7 | L108 D177 E178 E181 M182 K185 | P104-L108 HydrophobicContact CG-CD2 4.43Å; P104-D177 VanDerWaalsContact CD-O 3.28Å; P104-D177 WeakPolarHBondContact CD-O 3.49Å; P104-E178 HydrophobicContact CG-CB 3.83Å; P104-E181 HydrophobicContact CB-CB 4.09Å; P104-E181 HydrophobicContact CB-CG 3.31Å; P104-E181 HydrophobicContact CG-CB 4.04Å; P104-E181 HydrophobicContact CG-CG 3.54Å; P104-M182 HydrophobicContact CB-CG 3.77Å; P104-M182 HydrophobicContact CG-CG 4.33Å; P104-K185 HydrophobicContact CB-CD 4.24Å |
| 105 | T | 89.8 | Confident | 94.8 | Very high | 4 Ų | 4 | 22 Ų | 22 | 3% | 0.025 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -132.5 | 154.9 | -176.1 | 69.4 | 0 | 0 | 0 | 0 | 111.9 | S103 E107 L108 A109 L326 | S103-T105 VanDerWaalsContact C-N 3.31Å; S103-T105 PolarHBondContact O-N 2.98Å; T105-E107 VanDerWaalsContact C-N 3.29Å; T105-L108 VanDerWaalsContact OG1-CB 3.3Å; T105-L108 WeakPolarHBondContact OG1-CB 3.23Å; T105-L108 PolarHBondContact OG1-N 3.39Å; T105-A109 PolarHBondContact O-N 3.28Å; T105-A109 VanDerWaalsContact O-N 3.15Å; T105-L326 HydrophobicContact CG2-CD1 3.87Å |
| 106 | R | 90.7 | Very high | 94.9 | Very high | 78 Ų | 78 | 17.1 Ų | 17.1 | 29% | 0.294 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 178.9 | -53.9 | -179.9 | 179.4 | 171.7 | -0.6 | 110.9 | A109 S110 Y131 G132 T153 | R106-A109 PolarHBondContact O-N 3.1Å; R106-S110 PolarHBondContact O-N 3.32Å; R106-Y131 HydrophobicContact CB-CD1 4.38Å; R106-Y131 HydrophobicContact CB-CD2 3.56Å; R106-Y131 HydrophobicContact CB-CE2 4Å; R106-Y131 HydrophobicContact CB-CG 3.77Å; R106-Y131 HydrophobicContact CG-CD2 3.79Å; R106-Y131 HydrophobicContact CG-CG 4.06Å; R106-G132 VanDerWaalsContact CD-O 3.22Å; R106-G132 WeakPolarHBondContact CD-O 3.48Å; R106-G132 PolarHBondContact NE-O 3.14Å; R106-G132 PolarHBondContact NH1-O 3.42Å; R106-T153 HydrophobicContact CG-CG2 4.18Å |
| 107 | E | 88.2 | Confident | 94.9 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 7% | 0.065 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -69.1 | -40.4 | -177.9 | -65.7 | 62.4 | -134.1 | 0 | 0 | 111.1 | T105 Q111 Q303 R306 I331 | T105-E107 VanDerWaalsContact C-N 3.29Å; E107-Q111 WeakPolarHBondContact O-CB 3.31Å; E107-Q111 PolarHBondContact O-N 2.99Å; E107-Q303 PolarHBondContact OE1-NE2 2.84Å; E107-R306 VanDerWaalsContact CD-CZ 3.44Å; E107-R306 IonicContact OE1-CZ 3.6Å; E107-R306 IonicContact OE1-NE 3.07Å; E107-R306 IonicContact OE1-NH1 3.49Å; E107-R306 PolarHBondContact OE1-NH1 2.84Å; E107-R306 IonicContact OE1-NH2 3.72Å; E107-R306 PolarHBondContact OE1-NH2 3.26Å; E107-R306 IonicContact OE2-CZ 2.99Å; E107-R306 IonicContact OE2-NH1 2.68Å; E107-R306 PolarHBondContact OE2-NH1 3.23Å; E107-R306 IonicContact OE2-NH2 3.02Å; E107-R306 PolarHBondContact OE2-NH2 3.22Å; E107-I331 HydrophobicContact CB-CD1 3.63Å; E107-I331 HydrophobicContact CB-CG1 3.85Å; E107-I331 HydrophobicContact CG-CD1 4.08Å |
| 108 | L | 90 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 174.3 | -177.2 | 54 | 0 | 0 | 0 | 111 | P104 T105 S110 Q111 I112 E178 | P104-L108 HydrophobicContact CG-CD2 4.43Å; T105-L108 VanDerWaalsContact OG1-CB 3.3Å; T105-L108 WeakPolarHBondContact OG1-CB 3.23Å; T105-L108 PolarHBondContact OG1-N 3.39Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.18Å; L108-Q111 WeakPolarHBondContact O-CB 3.32Å; L108-Q111 PolarHBondContact O-N 3.5Å; L108-Q111 VanDerWaalsContact O-N 3.11Å; L108-I112 HydrophobicContact CD1-CD1 4.09Å; L108-I112 HydrophobicContact CD1-CG1 4.21Å; L108-I112 HydrophobicContact CG-CD1 3.86Å; L108-I112 HydrophobicContact CG-CG1 4.49Å; L108-I112 WeakPolarHBondContact O-CD1 3.39Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 3.4Å; L108-E178 HydrophobicContact CD2-CB 4.5Å; L108-E178 HydrophobicContact CD2-CG 3.89Å; L108-E178 WeakPolarHBondContact CD2-OE2 3.2Å |
| 109 | A | 94.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T105 R106 I112 Q113 Y131 S151 | T105-A109 PolarHBondContact O-N 3.28Å; T105-A109 VanDerWaalsContact O-N 3.15Å; R106-A109 PolarHBondContact O-N 3.1Å; A109-I112 PolarHBondContact O-N 3.48Å; A109-Q113 PolarHBondContact O-N 2.67Å; A109-Q113 VanDerWaalsContact O-N 3.13Å; A109-Y131 HydrophobicContact CB-CD1 4.16Å; A109-S151 VanDerWaalsContact CA-OG 3.28Å; A109-S151 WeakPolarHBondContact CA-OG 3.37Å; A109-S151 PolarHBondContact O-OG 3.25Å |
| 110 | S | 93.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 19.5 Ų | 19.5 | 15% | 0.147 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.5 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | R106 L108 Q113 K114 | R106-S110 PolarHBondContact O-N 3.32Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.18Å; S110-Q113 WeakPolarHBondContact O-CB 3.08Å; S110-Q113 PolarHBondContact O-N 3.23Å; S110-K114 WeakPolarHBondContact O-CG 3.41Å; S110-K114 PolarHBondContact O-N 3.45Å |
| 111 | Q | 92 | Very high | 94.7 | Very high | 13 Ų | 13 | 24.9 Ų | 24.9 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 176.6 | 179.7 | 177 | -55.7 | 0 | 0 | 112.3 | E107 L108 Q113 K114 V115 G330 | E107-Q111 WeakPolarHBondContact O-CB 3.31Å; E107-Q111 PolarHBondContact O-N 2.99Å; L108-Q111 WeakPolarHBondContact O-CB 3.32Å; L108-Q111 PolarHBondContact O-N 3.5Å; L108-Q111 VanDerWaalsContact O-N 3.11Å; Q111-Q113 VanDerWaalsContact C-N 3.29Å; Q111-Q113 PolarHBondContact O-N 3.38Å; Q111-K114 PolarHBondContact O-N 3.39Å; Q111-K114 VanDerWaalsContact O-N 3.17Å; Q111-V115 WeakPolarHBondContact O-CG2 3.48Å; Q111-V115 PolarHBondContact O-N 2.89Å; Q111-G330 PolarHBondContact NE2-O 2.81Å; Q111-G330 PolarHBondContact OE1-O 2.93Å |
| 112 | I | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 175.7 | -70.4 | 155.5 | 0 | 0 | 0 | 110.1 | T79 L82 V101 S103 L108 A109 K114 V115 I116 S151 D177 | T79-I112 HydrophobicContact CG2-CG1 3.78Å; L82-I112 HydrophobicContact CD2-CG2 4.43Å; V101-I112 HydrophobicContact CG1-CD1 3.98Å; V101-I112 HydrophobicContact CG1-CG2 4.38Å; S103-I112 WeakPolarHBondContact OG-CD1 3.12Å; L108-I112 HydrophobicContact CD1-CD1 4.09Å; L108-I112 HydrophobicContact CD1-CG1 4.21Å; L108-I112 HydrophobicContact CG-CD1 3.86Å; L108-I112 HydrophobicContact CG-CG1 4.49Å; L108-I112 WeakPolarHBondContact O-CD1 3.39Å; L108-I112 WeakPolarHBondContact O-CG1 3.45Å; L108-I112 PolarHBondContact O-N 3.4Å; A109-I112 PolarHBondContact O-N 3.48Å; I112-K114 VanDerWaalsContact C-N 3.34Å; I112-K114 PolarHBondContact O-N 2.93Å; I112-V115 PolarHBondContact O-N 3.07Å; I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.31Å; I112-S151 WeakPolarHBondContact CB-OG 3.21Å; I112-D177 HydrophobicContact CD1-CB 4.38Å |
| 113 | Q | 97.4 | Very high | 94.6 | Very high | 39 Ų | 39 | 29.5 Ų | 29.5 | 18% | 0.182 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -56.1 | -48.4 | 175.3 | -179.6 | -166.7 | 19.9 | 0 | 0 | 111.5 | A109 S110 Q111 V115 I116 L117 C127 A129 | A109-Q113 PolarHBondContact O-N 2.67Å; A109-Q113 VanDerWaalsContact O-N 3.13Å; S110-Q113 WeakPolarHBondContact O-CB 3.08Å; S110-Q113 PolarHBondContact O-N 3.23Å; Q111-Q113 VanDerWaalsContact C-N 3.29Å; Q111-Q113 PolarHBondContact O-N 3.38Å; Q113-V115 VanDerWaalsContact C-N 3.35Å; Q113-V115 PolarHBondContact O-N 3.1Å; Q113-I116 PolarHBondContact O-N 3.04Å; Q113-L117 HydrophobicContact CG-CD1 3.94Å; Q113-L117 HydrophobicContact CG-CG 4.42Å; Q113-L117 WeakPolarHBondContact O-CB 3.44Å; Q113-L117 VanDerWaalsContact O-CG 3.31Å; Q113-L117 WeakPolarHBondContact O-CG 3.34Å; Q113-L117 PolarHBondContact O-N 3.06Å; Q113-C127 HydrophobicContact CG-CB 4.2Å; Q113-C127 PolarHBondContact NE2-O 3.46Å; Q113-A129 HydrophobicContact CB-CB 4.01Å; Q113-A129 HydrophobicContact CG-CB 4.4Å |
| 114 | K | 95 | Very high | 94.6 | Very high | 113 Ų | 113 | 35.5 Ų | 35.5 | 49% | 0.491 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 178.7 | -70.8 | 174.8 | -175.5 | -179.8 | 0 | 112.1 | S110 Q111 I112 A118 | S110-K114 WeakPolarHBondContact O-CG 3.41Å; S110-K114 PolarHBondContact O-N 3.45Å; Q111-K114 PolarHBondContact O-N 3.39Å; Q111-K114 VanDerWaalsContact O-N 3.17Å; I112-K114 VanDerWaalsContact C-N 3.34Å; I112-K114 PolarHBondContact O-N 2.93Å; K114-A118 VanDerWaalsContact O-CB 3.3Å; K114-A118 WeakPolarHBondContact O-CB 3.34Å; K114-A118 PolarHBondContact O-N 3.11Å |
| 115 | V | 95.3 | Very high | 94.9 | Very high | 13 Ų | 13 | 35.6 Ų | 35.6 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | T79 Q111 I112 Q113 A118 L119 | T79-V115 HydrophobicContact CG2-CB 4.27Å; T79-V115 HydrophobicContact CG2-CG1 4.31Å; T79-V115 HydrophobicContact CG2-CG2 4.13Å; Q111-V115 WeakPolarHBondContact O-CG2 3.48Å; Q111-V115 PolarHBondContact O-N 2.89Å; I112-V115 PolarHBondContact O-N 3.07Å; Q113-V115 VanDerWaalsContact C-N 3.35Å; Q113-V115 PolarHBondContact O-N 3.1Å; V115-A118 PolarHBondContact O-N 2.96Å; V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.26Å; V115-L119 WeakPolarHBondContact O-CB 3.14Å; V115-L119 WeakPolarHBondContact O-CG 3.38Å; V115-L119 PolarHBondContact O-N 3.09Å |
| 116 | I | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 178.6 | -70.1 | 178 | 0 | 0 | 0 | 111.3 | I86 L87 I112 Q113 G120 C127 V149 | I86-I116 HydrophobicContact CD1-CD1 3.94Å; L87-I116 HydrophobicContact CD2-CG2 4.04Å; L87-I116 HydrophobicContact CG-CG2 4.44Å; I112-I116 HydrophobicContact CG2-CD1 3.73Å; I112-I116 HydrophobicContact CG2-CG1 4.31Å; I112-I116 WeakPolarHBondContact O-CG1 3.45Å; I112-I116 PolarHBondContact O-N 3.31Å; Q113-I116 PolarHBondContact O-N 3.04Å; I116-G120 WeakPolarHBondContact O-CA 3.21Å; I116-G120 PolarHBondContact O-N 3.35Å; I116-C127 HydrophobicContact CB-CB 4.47Å; I116-C127 HydrophobicContact CG2-CB 3.92Å; I116-V149 HydrophobicContact CD1-CG1 3.77Å; I116-V149 HydrophobicContact CG2-CG2 4.31Å |
| 117 | L | 97.9 | Very high | 95.7 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 178 | -69.4 | 174.3 | 0 | 0 | 0 | 111.8 | Q113 G120 D121 V125 C127 | Q113-L117 HydrophobicContact CG-CD1 3.94Å; Q113-L117 HydrophobicContact CG-CG 4.42Å; Q113-L117 WeakPolarHBondContact O-CB 3.44Å; Q113-L117 VanDerWaalsContact O-CG 3.31Å; Q113-L117 WeakPolarHBondContact O-CG 3.34Å; Q113-L117 PolarHBondContact O-N 3.06Å; L117-G120 CarbonylContact O-C 3.56Å; L117-G120 PolarHBondContact O-N 3.1Å; L117-D121 WeakPolarHBondContact O-CA 3.39Å; L117-D121 PolarHBondContact O-N 2.96Å; L117-V125 HydrophobicContact CD2-CG1 4.33Å; L117-C127 HydrophobicContact CD2-CB 3.89Å; L117-C127 HydrophobicContact CG-CB 4.1Å |
| 118 | A | 96.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 31% | 0.314 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -70.6 | -44.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y46 K114 V115 G120 | Y46-A118 HydrophobicContact CD2-CB 3.61Å; Y46-A118 HydrophobicContact CE2-CB 3.58Å; K114-A118 VanDerWaalsContact O-CB 3.3Å; K114-A118 WeakPolarHBondContact O-CB 3.34Å; K114-A118 PolarHBondContact O-N 3.11Å; V115-A118 PolarHBondContact O-N 2.96Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.28Å |
| 119 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -29 | 175.6 | -67.5 | 174.3 | 0 | 0 | 0 | 112.3 | G42 I43 Y46 F48 I84 L87 V115 | G42-L119 WeakPolarHBondContact CA-O 3.5Å; I43-L119 HydrophobicContact CG1-CD2 4.19Å; Y46-L119 HydrophobicContact CD1-CD2 4.21Å; Y46-L119 HydrophobicContact CD2-CD2 4.45Å; Y46-L119 HydrophobicContact CG-CD2 3.9Å; F48-L119 HydrophobicContact CD2-CD2 4.19Å; F48-L119 HydrophobicContact CE2-CD2 4.02Å; I84-L119 HydrophobicContact CG1-CD1 4.02Å; L87-L119 HydrophobicContact CD1-CB 3.57Å; V115-L119 HydrophobicContact CG1-CD1 3.64Å; V115-L119 HydrophobicContact CG1-CG 4.26Å; V115-L119 WeakPolarHBondContact O-CB 3.14Å; V115-L119 WeakPolarHBondContact O-CG 3.38Å; V115-L119 PolarHBondContact O-N 3.09Å |
| 120 | G | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 15.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I116 L117 A118 Y122 M123 | I116-G120 WeakPolarHBondContact O-CA 3.21Å; I116-G120 PolarHBondContact O-N 3.35Å; L117-G120 CarbonylContact O-C 3.56Å; L117-G120 PolarHBondContact O-N 3.1Å; A118-G120 VanDerWaalsContact C-N 3.29Å; A118-G120 PolarHBondContact O-N 3.28Å; G120-Y122 PolarHBondContact O-N 3.45Å; G120-M123 WeakPolarHBondContact O-CB 3.24Å; G120-M123 PolarHBondContact O-N 2.7Å |
| 121 | D | 97 | Very high | 96.7 | Very high | 113 Ų | 113 | 34.6 Ų | 34.6 | 60% | 0.604 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -55.8 | -36.3 | -174.4 | -169.2 | 46.1 | 0 | 0 | 0 | 112 | L117 M123 | L117-D121 WeakPolarHBondContact O-CA 3.39Å; L117-D121 PolarHBondContact O-N 2.96Å; D121-M123 VanDerWaalsContact C-N 3.34Å; D121-M123 PolarHBondContact O-N 3.5Å |
| 122 | Y | 97.2 | Very high | 96.7 | Very high | 88 Ų | 88 | 34.9 Ų | 34.9 | 35% | 0.345 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -85.4 | 0.6 | 177.6 | -56.1 | -70.3 | 0 | 0 | 0 | 114.9 | R41 A45 G120 | R41-Y122 HydrophobicContact CB-CD2 3.92Å; R41-Y122 HydrophobicContact CB-CE2 4.24Å; R41-Y122 HydrophobicContact CB-CG 4.47Å; R41-Y122 HydrophobicContact CG-CD2 3.69Å; R41-Y122 HydrophobicContact CG-CE2 3.59Å; R41-Y122 HydrophobicContact CG-CG 4.21Å; R41-Y122 VanDerWaalsContact CZ-CE1 3.45Å; A45-Y122 HydrophobicContact CB-CE2 3.85Å; G120-Y122 PolarHBondContact O-N 3.45Å |
| 123 | M | 97.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -105.4 | -4.3 | -176.8 | -61.3 | 170.6 | 66.5 | 0 | 0 | 113 | D38 L39 L87 T92 G120 D121 V125 | D38-M123 HydrophobicContact CB-CG 4.03Å; D38-M123 VanDerWaalsContact CG-CG 3.5Å; D38-M123 WeakPolarHBondContact OD2-CG 3.27Å; L39-M123 HydrophobicContact CB-SD 3.89Å; L39-M123 HydrophobicContact CD1-SD 4.11Å; L87-M123 HydrophobicContact CB-CE 3.8Å; L87-M123 HydrophobicContact CB-SD 3.87Å; L87-M123 HydrophobicContact CD1-SD 4.4Å; L87-M123 HydrophobicContact CD2-CE 4.05Å; L87-M123 HydrophobicContact CD2-SD 3.9Å; L87-M123 HydrophobicContact CG-SD 4.26Å; L87-M123 WeakPolarHBondContact O-CE 3.46Å; T92-M123 HydrophobicContact CG2-CB 4.39Å; T92-M123 WeakPolarHBondContact CG2-O 3.35Å; G120-M123 WeakPolarHBondContact O-CB 3.24Å; G120-M123 PolarHBondContact O-N 2.7Å; D121-M123 VanDerWaalsContact C-N 3.34Å; D121-M123 PolarHBondContact O-N 3.5Å; M123-V125 PolarHBondContact O-N 2.75Å |
| 124 | N | 94.6 | Very high | 96 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 68% | 0.679 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 36 | -171.5 | -167.8 | 27.4 | 0 | 0 | 0 | 112.7 | ||
| 125 | V | 97.8 | Very high | 95.8 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -69.9 | 143.7 | -178.2 | 69.2 | 0 | 0 | 0 | 0 | 111.1 | L87 L90 L117 M123 H148 | L87-V125 HydrophobicContact CD2-CB 4.04Å; L87-V125 HydrophobicContact CD2-CG1 3.94Å; L87-V125 HydrophobicContact CD2-CG2 3.87Å; L90-V125 HydrophobicContact CD1-CG2 3.56Å; L117-V125 HydrophobicContact CD2-CG1 4.33Å; M123-V125 PolarHBondContact O-N 2.75Å; V125-H148 HydrophobicContact CG2-CB 4.13Å | ||
| 126 | Q | 98 | Very high | 95.8 | Very high | 47 Ų | 47 | 39.5 Ų | 39.5 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | trans | -109 | 122.5 | 172.3 | -58.3 | -60.3 | -60.9 | 0 | 0 | 108.3 | H148 V149 | Q126-H148 PolarHBondContact N-ND1 3.13Å; Q126-H148 VanDerWaalsContact N-ND1 3.12Å; Q126-H148 WeakPolarHBondContact O-CB 3.48Å; Q126-H148 PolarHBondContact O-N 2.95Å; Q126-V149 PolarHBondContact O-N 3.34Å; Q126-V149 VanDerWaalsContact O-N 3.08Å | ||
| 127 | C | 98.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.034 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 132.2 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | Q113 I116 L117 V149 | Q113-C127 HydrophobicContact CG-CB 4.2Å; Q113-C127 PolarHBondContact NE2-O 3.46Å; I116-C127 HydrophobicContact CB-CB 4.47Å; I116-C127 HydrophobicContact CG2-CB 3.92Å; L117-C127 HydrophobicContact CD2-CB 3.89Å; L117-C127 HydrophobicContact CG-CB 4.1Å; C127-V149 VanDerWaalsContact CA-O 3.31Å; C127-V149 WeakPolarHBondContact CA-O 3.33Å; C127-V149 HydrophobicContact CB-CB 4.17Å |
| 128 | H | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137 | 177.9 | -173.3 | 59.3 | 0 | 0 | 0 | 111.7 | D139 Q147 V149 I150 S151 | H128-D139 IonicContact CD2-OD1 3.21Å; H128-D139 IonicContact CE1-OD1 2.8Å; H128-D139 IonicContact NE2-OD1 3.9Å; H128-D139 PolarHBondContact NE2-OD1 2.85Å; H128-Q147 HydrophobicContact CB-CB 4.46Å; H128-Q147 HydrophobicContact CB-CG 3.75Å; H128-V149 PolarHBondContact N-O 3.31Å; H128-I150 HydrophobicContact CB-CD1 3.84Å; H128-I150 WeakPolarHBondContact O-CA 3.44Å; H128-S151 PolarHBondContact O-N 2.84Å |
| 129 | A | 97.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 5% | 0.05 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q113 Y131 S151 | Q113-A129 HydrophobicContact CB-CB 4.01Å; Q113-A129 HydrophobicContact CG-CB 4.4Å; A129-Y131 HydrophobicContact CB-CD1 3.93Å; A129-Y131 HydrophobicContact CB-CE1 3.68Å; A129-S151 CarbonylContact C-O 3.57Å; A129-S151 WeakPolarHBondContact CA-O 2.98Å |
| 130 | C | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 97.6 | -172.9 | -160.5 | 0 | 0 | 0 | 0 | 110.6 | D139 I150 S151 G152 T153 R156 V157 M160 | C130-D139 PolarHBondContact SG-OD2 3.3Å; C130-D139 VanDerWaalsContact SG-OD2 3.41Å; C130-I150 HydrophobicContact CB-CG2 3.99Å; C130-S151 PolarHBondContact N-O 3.26Å; C130-G152 CarbonylContact O-C 3.6Å; C130-G152 WeakPolarHBondContact O-CA 3.45Å; C130-T153 PolarHBondContact O-N 3.35Å; C130-T153 VanDerWaalsContact O-N 3.11Å; C130-R156 HydrophobicContact CB-CG 4.48Å; C130-R156 WeakPolarHBondContact SG-CG 3.48Å; C130-V157 HydrophobicContact CB-CG2 4.33Å; C130-M160 WeakPolarHBondContact SG-CG 3.33Å |
| 131 | Y | 95.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 8% | 0.078 | 29% | 0.287 | C | S | . | . | trans | -143 | 160.4 | -176 | 57 | -103.7 | 0 | 0 | 0 | 113.4 | R106 A109 A129 T134 T153 R156 Q303 E307 | R106-Y131 HydrophobicContact CB-CD1 4.38Å; R106-Y131 HydrophobicContact CB-CD2 3.56Å; R106-Y131 HydrophobicContact CB-CE2 4Å; R106-Y131 HydrophobicContact CB-CG 3.77Å; R106-Y131 HydrophobicContact CG-CD2 3.79Å; R106-Y131 HydrophobicContact CG-CG 4.06Å; A109-Y131 HydrophobicContact CB-CD1 4.16Å; A129-Y131 HydrophobicContact CB-CD1 3.93Å; A129-Y131 HydrophobicContact CB-CE1 3.68Å; Y131-T134 HydrophobicContact CD2-CG2 3.84Å; Y131-T134 HydrophobicContact CE2-CG2 3.36Å; Y131-T134 PolarHBondContact O-OG1 3.15Å; Y131-T134 VanDerWaalsContact O-OG1 3.09Å; Y131-T153 WeakPolarHBondContact CA-OG1 3.45Å; Y131-R156 PolarHBondContact O-NH1 3.27Å; Y131-Q303 HydrophobicContact CE2-CG 4.19Å; Y131-E307 PolarHBondContact OH-OE1 3.01Å | ||
| 132 | G | 91.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 52.7 Ų | 52.7 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 156.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | R106 T134 | R106-G132 VanDerWaalsContact CD-O 3.22Å; R106-G132 WeakPolarHBondContact CD-O 3.48Å; R106-G132 PolarHBondContact NE-O 3.14Å; R106-G132 PolarHBondContact NH1-O 3.42Å; G132-T134 VanDerWaalsContact C-N 3.32Å |
| 133 | G | 88.5 | Confident | 95.5 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 56% | 0.557 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -7.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 134 | T | 89.2 | Confident | 95.5 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 25% | 0.252 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -96.8 | 165.4 | 169.6 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | Y131 G132 I136 R156 | Y131-T134 HydrophobicContact CD2-CG2 3.84Å; Y131-T134 HydrophobicContact CE2-CG2 3.36Å; Y131-T134 PolarHBondContact O-OG1 3.15Å; Y131-T134 VanDerWaalsContact O-OG1 3.09Å; G132-T134 VanDerWaalsContact C-N 3.32Å; T134-I136 PolarHBondContact O-N 3.11Å; T134-R156 PolarHBondContact O-NH1 3.24Å; T134-R156 PolarHBondContact O-NH2 2.94Å; T134-R156 PolarHBondContact OG1-NH1 3.39Å |
| 135 | N | 92.6 | Very high | 95.5 | Very high | 106 Ų | 106 | 54 Ų | 54 | 57% | 0.567 | 28% | 0.282 | S | S | * | . | trans | -66.1 | 119.8 | 178.5 | -172.1 | -48.8 | 0 | 0 | 0 | 111.2 | G137 E138 D139 | N135-G137 VanDerWaalsContact C-N 3.33Å; N135-G137 PolarHBondContact O-N 3.29Å; N135-G137 WeakPolarHBondContact OD1-CA 3.42Å; N135-G137 PolarHBondContact OD1-N 2.94Å; N135-E138 HydrophobicContact CB-CB 4.13Å; N135-E138 PolarHBondContact O-N 2.6Å; N135-E138 PolarHBondContact OD1-N 2.86Å; N135-D139 PolarHBondContact O-N 2.94Å | ||
| 136 | I | 95 | Very high | 95.4 | Very high | 61 Ų | 61 | 54.1 Ų | 54.1 | 31% | 0.313 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | -179.5 | -65.2 | 172 | 0 | 0 | 0 | 111.8 | T134 E138 D139 I140 M160 | T134-I136 PolarHBondContact O-N 3.11Å; I136-E138 VanDerWaalsContact C-N 3.28Å; I136-E138 PolarHBondContact O-N 3.01Å; I136-D139 WeakPolarHBondContact O-CB 3.43Å; I136-D139 PolarHBondContact O-N 2.81Å; I136-I140 HydrophobicContact CG2-CD1 3.85Å; I136-I140 HydrophobicContact CG2-CG1 4.29Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å; I136-I140 PolarHBondContact O-N 3.24Å; I136-M160 HydrophobicContact CG2-CE 3.85Å |
| 137 | G | 96.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 52.1 Ų | 52.1 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -33 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N135 R141 | N135-G137 VanDerWaalsContact C-N 3.33Å; N135-G137 PolarHBondContact O-N 3.29Å; N135-G137 WeakPolarHBondContact OD1-CA 3.42Å; N135-G137 PolarHBondContact OD1-N 2.94Å; G137-R141 WeakPolarHBondContact O-CB 3.42Å; G137-R141 PolarHBondContact O-N 2.98Å |
| 138 | E | 94.7 | Very high | 95.5 | Very high | 110 Ų | 110 | 52.2 Ų | 52.2 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 173.6 | -172.4 | 176.4 | -179.2 | 0 | 0 | 111.7 | N135 I136 I140 R141 K142 | N135-E138 HydrophobicContact CB-CB 4.13Å; N135-E138 PolarHBondContact O-N 2.6Å; N135-E138 PolarHBondContact OD1-N 2.86Å; I136-E138 VanDerWaalsContact C-N 3.28Å; I136-E138 PolarHBondContact O-N 3.01Å; E138-I140 PolarHBondContact O-N 3.24Å; E138-R141 PolarHBondContact O-N 3.23Å; E138-K142 WeakPolarHBondContact O-CG 3.31Å; E138-K142 PolarHBondContact O-N 3.02Å |
| 139 | D | 96.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.4 | -49.3 | 173.4 | -84 | -5.1 | 0 | 0 | 0 | 111.2 | H128 C130 N135 I136 R141 K142 L143 R156 M160 | H128-D139 IonicContact CD2-OD1 3.21Å; H128-D139 IonicContact CE1-OD1 2.8Å; H128-D139 IonicContact NE2-OD1 3.9Å; H128-D139 PolarHBondContact NE2-OD1 2.85Å; C130-D139 PolarHBondContact SG-OD2 3.3Å; C130-D139 VanDerWaalsContact SG-OD2 3.41Å; N135-D139 PolarHBondContact O-N 2.94Å; I136-D139 WeakPolarHBondContact O-CB 3.43Å; I136-D139 PolarHBondContact O-N 2.81Å; D139-R141 VanDerWaalsContact C-N 3.34Å; D139-R141 PolarHBondContact O-N 2.81Å; D139-K142 PolarHBondContact O-N 2.8Å; D139-L143 WeakPolarHBondContact O-CB 3.25Å; D139-L143 WeakPolarHBondContact O-CG 3.36Å; D139-L143 PolarHBondContact O-N 3.01Å; D139-R156 IonicContact OD2-CZ 3.36Å; D139-R156 IonicContact OD2-NH1 3.82Å; D139-R156 PolarHBondContact OD2-NH1 3.36Å; D139-M160 HydrophobicContact CB-SD 4.11Å |
| 140 | I | 97.2 | Very high | 95.5 | Very high | 46 Ų | 46 | 51 Ų | 51 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -47.8 | 178.3 | -66.7 | 172 | 0 | 0 | 0 | 110.4 | I136 E138 K142 L143 D144 M160 | I136-I140 HydrophobicContact CG2-CD1 3.85Å; I136-I140 HydrophobicContact CG2-CG1 4.29Å; I136-I140 VanDerWaalsContact O-CG1 3.3Å; I136-I140 WeakPolarHBondContact O-CG1 3.29Å; I136-I140 PolarHBondContact O-N 3.24Å; E138-I140 PolarHBondContact O-N 3.24Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 2.82Å; I140-L143 PolarHBondContact O-N 2.68Å; I140-D144 WeakPolarHBondContact CG2-OD2 3.26Å; I140-D144 WeakPolarHBondContact O-CB 3.39Å; I140-D144 PolarHBondContact O-N 3.08Å; I140-M160 HydrophobicContact CG1-SD 4.07Å |
| 141 | R | 97.2 | Very high | 95.6 | Very high | 202 Ų | 202 | 51 Ų | 51 | 76% | 0.762 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60 | -41.6 | 178.7 | -177.9 | -179 | 173.6 | 179.4 | -1 | 112.4 | G137 E138 D139 Y145 | G137-R141 WeakPolarHBondContact O-CB 3.42Å; G137-R141 PolarHBondContact O-N 2.98Å; E138-R141 PolarHBondContact O-N 3.23Å; D139-R141 VanDerWaalsContact C-N 3.34Å; D139-R141 PolarHBondContact O-N 2.81Å; R141-Y145 WeakPolarHBondContact O-CB 3.5Å; R141-Y145 PolarHBondContact O-N 3.3Å; R141-Y145 VanDerWaalsContact O-N 3.13Å |
| 142 | K | 96.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 40% | 0.404 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 178 | -71.3 | -76.3 | -174.9 | 173.5 | 0 | 111.5 | E138 D139 I140 Y145 Q147 | E138-K142 WeakPolarHBondContact O-CG 3.31Å; E138-K142 PolarHBondContact O-N 3.02Å; D139-K142 PolarHBondContact O-N 2.8Å; I140-K142 VanDerWaalsContact C-N 3.33Å; I140-K142 PolarHBondContact O-N 2.82Å; K142-Y145 PolarHBondContact O-N 2.9Å; K142-Q147 WeakPolarHBondContact O-CG 3.46Å; K142-Q147 PolarHBondContact O-NE2 3.31Å |
| 143 | L | 97.2 | Very high | 96 | Very high | 14 Ų | 14 | 50 Ų | 50 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.8 | -70.4 | 171.2 | 0 | 0 | 0 | 112.1 | D139 I140 Y145 G146 I150 M160 L166 | D139-L143 WeakPolarHBondContact O-CB 3.25Å; D139-L143 WeakPolarHBondContact O-CG 3.36Å; D139-L143 PolarHBondContact O-N 3.01Å; I140-L143 PolarHBondContact O-N 2.68Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 PolarHBondContact O-N 2.79Å; L143-G146 WeakPolarHBondContact O-CA 3.34Å; L143-G146 PolarHBondContact O-N 2.73Å; L143-I150 HydrophobicContact CD2-CD1 3.44Å; L143-I150 VanDerWaalsContact CD2-CD1 3.44Å; L143-I150 HydrophobicContact CD2-CG1 4.09Å; L143-M160 HydrophobicContact CD1-CB 3.78Å; L143-M160 HydrophobicContact CD1-CG 3.72Å; L143-M160 HydrophobicContact CD1-SD 3.98Å; L143-L166 HydrophobicContact CD1-CB 4.12Å; L143-L166 HydrophobicContact CD2-CB 4.27Å; L143-L166 HydrophobicContact CD2-CD1 3.96Å |
| 144 | D | 96.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -31.7 | 177.3 | -75.8 | -26.1 | 0 | 0 | 0 | 112.5 | I140 G146 | I140-D144 WeakPolarHBondContact CG2-OD2 3.26Å; I140-D144 WeakPolarHBondContact O-CB 3.39Å; I140-D144 PolarHBondContact O-N 3.08Å; D144-G146 PolarHBondContact O-N 3.23Å |
| 145 | Y | 95.6 | Very high | 96.7 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 55% | 0.549 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -18.7 | 172.3 | -174.3 | -123.3 | 0 | 0 | 0 | 112.9 | R95 R141 K142 L143 | R95-Y145 VanDerWaalsContact CD-O 3.28Å; R95-Y145 WeakPolarHBondContact CD-O 3.46Å; R95-Y145 PolarHBondContact NE-O 3.38Å; R95-Y145 PolarHBondContact NH1-OH 2.95Å; R95-Y145 PolarHBondContact NH2-OH 2.74Å; R95-Y145 VanDerWaalsContact NH2-OH 3.14Å; R141-Y145 WeakPolarHBondContact O-CB 3.5Å; R141-Y145 PolarHBondContact O-N 3.3Å; R141-Y145 VanDerWaalsContact O-N 3.13Å; K142-Y145 PolarHBondContact O-N 2.9Å; L143-Y145 VanDerWaalsContact C-N 3.27Å; L143-Y145 PolarHBondContact O-N 2.79Å |
| 146 | G | 96.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | trans | 87.6 | 120.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R95 L143 D144 | R95-G146 PolarHBondContact NE-O 2.65Å; R95-G146 WeakPolarHBondContact O-CA 3.48Å; L143-G146 WeakPolarHBondContact O-CA 3.34Å; L143-G146 PolarHBondContact O-N 2.73Å; D144-G146 PolarHBondContact O-N 3.23Å | ||
| 147 | Q | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.028 | 20% | 0.203 | C | C | . | . | trans | -124.1 | 130.7 | -178.7 | -58.2 | -60.7 | -45.7 | 0 | 0 | 109 | E96 T97 H128 K142 I150 | E96-Q147 CarbonylContact C-O 3.54Å; T97-Q147 WeakPolarHBondContact CA-O 3.4Å; T97-Q147 WeakPolarHBondContact CB-O 3.46Å; T97-Q147 PolarHBondContact N-O 2.82Å; T97-Q147 PolarHBondContact OG1-O 3.24Å; H128-Q147 HydrophobicContact CB-CB 4.46Å; H128-Q147 HydrophobicContact CB-CG 3.75Å; K142-Q147 WeakPolarHBondContact O-CG 3.46Å; K142-Q147 PolarHBondContact O-NE2 3.31Å; Q147-I150 HydrophobicContact CB-CD1 3.7Å; Q147-I150 HydrophobicContact CG-CD1 4Å | ||
| 148 | H | 98.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 3% | 0.028 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -70.4 | -35.6 | 177.7 | -54.7 | 136.7 | 0 | 0 | 0 | 111.8 | L90 T92 L94 E96 Q98 A99 V125 Q126 | L90-H148 HydrophobicContact CD1-CB 3.99Å; L90-H148 HydrophobicContact CD2-CB 4.24Å; T92-H148 PolarHBondContact O-NE2 3.28Å; L94-H148 PolarHBondContact O-CD2 3Å; L94-H148 VanDerWaalsContact O-CD2 3.24Å; E96-H148 WeakPolarHBondContact O-CA 3.43Å; Q98-H148 PolarHBondContact N-O 2.81Å; A99-H148 PolarHBondContact N-O 2.67Å; V125-H148 HydrophobicContact CG2-CB 4.13Å; Q126-H148 PolarHBondContact N-ND1 3.13Å; Q126-H148 VanDerWaalsContact N-ND1 3.12Å; Q126-H148 WeakPolarHBondContact O-CB 3.48Å; Q126-H148 PolarHBondContact O-N 2.95Å |
| 149 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137 | -179.6 | -171.2 | 0 | 0 | 0 | 0 | 110.5 | I86 L90 A99 V101 I116 Q126 C127 H128 | I86-V149 HydrophobicContact CD1-CG1 4.41Å; I86-V149 HydrophobicContact CG2-CG1 4.34Å; I86-V149 HydrophobicContact CG2-CG2 3.54Å; L90-V149 HydrophobicContact CD1-CG2 3.64Å; L90-V149 HydrophobicContact CD2-CG2 4.16Å; L90-V149 HydrophobicContact CG-CG2 4.44Å; A99-V149 HydrophobicContact CB-CG1 4.21Å; A99-V149 HydrophobicContact CB-CG2 4.33Å; A99-V149 WeakPolarHBondContact O-CA 3.46Å; V101-V149 HydrophobicContact CG2-CG1 4.5Å; I116-V149 HydrophobicContact CD1-CG1 3.77Å; I116-V149 HydrophobicContact CG2-CG2 4.31Å; Q126-V149 PolarHBondContact O-N 3.34Å; Q126-V149 VanDerWaalsContact O-N 3.08Å; C127-V149 VanDerWaalsContact CA-O 3.31Å; C127-V149 WeakPolarHBondContact CA-O 3.33Å; C127-V149 HydrophobicContact CB-CB 4.17Å; H128-V149 PolarHBondContact N-O 3.31Å |
| 150 | I | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.7 | 166.2 | -61.5 | -60.6 | 0 | 0 | 0 | 108.7 | T97 A99 L100 V101 H128 C130 L143 Q147 V157 L166 | T97-I150 HydrophobicContact CG2-CB 4.16Å; T97-I150 HydrophobicContact CG2-CG1 3.63Å; A99-I150 PolarHBondContact O-N 2.92Å; L100-I150 CarbonylContact C-O 3.48Å; L100-I150 WeakPolarHBondContact CA-O 3.45Å; L100-I150 HydrophobicContact CD1-CB 3.76Å; L100-I150 HydrophobicContact CD1-CG2 3.71Å; V101-I150 PolarHBondContact N-O 3.42Å; H128-I150 HydrophobicContact CB-CD1 3.84Å; H128-I150 WeakPolarHBondContact O-CA 3.44Å; C130-I150 HydrophobicContact CB-CG2 3.99Å; L143-I150 HydrophobicContact CD2-CD1 3.44Å; L143-I150 VanDerWaalsContact CD2-CD1 3.44Å; L143-I150 HydrophobicContact CD2-CG1 4.09Å; Q147-I150 HydrophobicContact CB-CD1 3.7Å; Q147-I150 HydrophobicContact CG-CD1 4Å; I150-V157 HydrophobicContact CG2-CG2 4.41Å; I150-L166 HydrophobicContact CG1-CD1 3.91Å; I150-L166 HydrophobicContact CG1-CD2 4.45Å; I150-L166 HydrophobicContact CG2-CD2 4.36Å |
| 151 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.8 | 168.5 | 174.2 | 0 | 0 | 0 | 0 | 108.1 | V101 A109 I112 H128 A129 C130 | V101-S151 CarbonylContact O-C 3.52Å; V101-S151 WeakPolarHBondContact O-CA 3.35Å; A109-S151 VanDerWaalsContact CA-OG 3.28Å; A109-S151 WeakPolarHBondContact CA-OG 3.37Å; A109-S151 PolarHBondContact O-OG 3.25Å; I112-S151 WeakPolarHBondContact CB-OG 3.21Å; H128-S151 PolarHBondContact O-N 2.84Å; A129-S151 CarbonylContact C-O 3.57Å; A129-S151 WeakPolarHBondContact CA-O 2.98Å; C130-S151 PolarHBondContact N-O 3.26Å |
| 152 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 170.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | V101 L102 S103 C130 | V101-G152 PolarHBondContact O-N 2.9Å; L102-G152 CarbonylContact C-O 3.39Å; L102-G152 WeakPolarHBondContact CA-O 3.35Å; S103-G152 PolarHBondContact N-O 3.07Å; C130-G152 CarbonylContact O-C 3.6Å; C130-G152 WeakPolarHBondContact O-CA 3.45Å |
| 153 | T | 95.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 10% | 0.104 | 16% | 0.163 | C | C | . | . | trans | -84.8 | 140.2 | 170.7 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | S103 R106 C130 Y131 G155 R156 V157 | S103-T153 WeakPolarHBondContact O-CA 3.42Å; R106-T153 HydrophobicContact CG-CG2 4.18Å; C130-T153 PolarHBondContact O-N 3.35Å; C130-T153 VanDerWaalsContact O-N 3.11Å; Y131-T153 WeakPolarHBondContact CA-OG1 3.45Å; T153-G155 VanDerWaalsContact C-N 3.29Å; T153-G155 PolarHBondContact O-N 2.88Å; T153-G155 VanDerWaalsContact O-N 3.09Å; T153-R156 PolarHBondContact O-N 2.91Å; T153-V157 PolarHBondContact O-N 3.42Å; T153-V157 VanDerWaalsContact O-N 3.16Å | ||
| 154 | P | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -47.7 | -45.6 | -173.9 | -30.7 | 33.8 | 0 | 0 | 0 | 114.4 | L102 S103 R156 V157 F158 M182 F187 Q190 I191 | L102-P154 HydrophobicContact CB-CG 4.41Å; L102-P154 HydrophobicContact CD1-CB 4.42Å; L102-P154 HydrophobicContact CD1-CG 4.23Å; S103-P154 WeakPolarHBondContact O-CD 3.34Å; P154-R156 PolarHBondContact O-N 3.5Å; P154-V157 PolarHBondContact O-N 3.12Å; P154-F158 VanDerWaalsContact O-CB 3.26Å; P154-F158 WeakPolarHBondContact O-CB 3.24Å; P154-F158 PolarHBondContact O-N 3.17Å; P154-M182 HydrophobicContact CG-SD 3.99Å; P154-F187 HydrophobicContact CB-CB 4.34Å; P154-F187 HydrophobicContact CB-CG 4.37Å; P154-F187 HydrophobicContact CG-CB 4Å; P154-F187 HydrophobicContact CG-CD2 4.09Å; P154-F187 HydrophobicContact CG-CG 3.99Å; P154-Q190 HydrophobicContact CB-CB 3.75Å; P154-I191 HydrophobicContact CG-CG1 4.43Å |
| 155 | G | 96 | Very high | 97.2 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 39% | 0.392 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.2 | -46.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T153 D159 | T153-G155 VanDerWaalsContact C-N 3.29Å; T153-G155 PolarHBondContact O-N 2.88Å; T153-G155 VanDerWaalsContact O-N 3.09Å; G155-D159 PolarHBondContact O-N 2.92Å; G155-D159 VanDerWaalsContact O-N 3.08Å |
| 156 | R | 96.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 34 Ų | 34 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -73.7 | -39.8 | -180 | 176.1 | 62.6 | 70.2 | 84.4 | -0.9 | 111.5 | C130 Y131 T134 D139 T153 P154 F158 D159 M160 | C130-R156 HydrophobicContact CB-CG 4.48Å; C130-R156 WeakPolarHBondContact SG-CG 3.48Å; Y131-R156 PolarHBondContact O-NH1 3.27Å; T134-R156 PolarHBondContact O-NH1 3.24Å; T134-R156 PolarHBondContact O-NH2 2.94Å; T134-R156 PolarHBondContact OG1-NH1 3.39Å; D139-R156 IonicContact OD2-CZ 3.36Å; D139-R156 IonicContact OD2-NH1 3.82Å; D139-R156 PolarHBondContact OD2-NH1 3.36Å; T153-R156 PolarHBondContact O-N 2.91Å; P154-R156 PolarHBondContact O-N 3.5Å; R156-F158 VanDerWaalsContact C-N 3.32Å; R156-F158 PolarHBondContact O-N 3.47Å; R156-D159 PolarHBondContact O-N 3.39Å; R156-M160 WeakPolarHBondContact O-CG 3.42Å; R156-M160 PolarHBondContact O-N 3.48Å |
| 157 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -48.4 | 174.9 | 170 | 0 | 0 | 0 | 0 | 110.2 | L100 L102 C130 I150 T153 P154 D159 M160 I161 L166 V194 | L100-V157 HydrophobicContact CD1-CG1 3.8Å; L100-V157 HydrophobicContact CD1-CG2 4.46Å; L100-V157 HydrophobicContact CD2-CG1 4.02Å; L100-V157 HydrophobicContact CG-CG1 4.45Å; L102-V157 HydrophobicContact CD2-CB 3.99Å; L102-V157 HydrophobicContact CD2-CG1 3.94Å; L102-V157 HydrophobicContact CD2-CG2 3.85Å; C130-V157 HydrophobicContact CB-CG2 4.33Å; I150-V157 HydrophobicContact CG2-CG2 4.41Å; T153-V157 PolarHBondContact O-N 3.42Å; T153-V157 VanDerWaalsContact O-N 3.16Å; P154-V157 PolarHBondContact O-N 3.12Å; V157-D159 PolarHBondContact O-N 2.83Å; V157-M160 PolarHBondContact O-N 3.48Å; V157-I161 HydrophobicContact CG1-CD1 4.02Å; V157-I161 WeakPolarHBondContact O-CG1 3.21Å; V157-I161 PolarHBondContact O-N 3.44Å; V157-L166 HydrophobicContact CG1-CD2 4.08Å; V157-V194 HydrophobicContact CG1-CG1 4.29Å; V157-V194 HydrophobicContact CG1-CG2 4.16Å |
| 158 | F | 97.5 | Very high | 97.3 | Very high | 30 Ų | 30 | 41.8 Ų | 41.8 | 13% | 0.132 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.3 | -177.2 | -128.9 | 0 | 0 | 0 | 112.6 | P154 R156 M160 I161 R162 D193 V194 Y197 | P154-F158 VanDerWaalsContact O-CB 3.26Å; P154-F158 WeakPolarHBondContact O-CB 3.24Å; P154-F158 PolarHBondContact O-N 3.17Å; R156-F158 VanDerWaalsContact C-N 3.32Å; R156-F158 PolarHBondContact O-N 3.47Å; F158-M160 VanDerWaalsContact C-N 3.33Å; F158-M160 PolarHBondContact O-N 2.97Å; F158-I161 PolarHBondContact O-N 3.4Å; F158-R162 HydrophobicContact CD2-CG 4.17Å; F158-R162 VanDerWaalsContact CE1-CD 3.48Å; F158-R162 HydrophobicContact CE1-CG 4.2Å; F158-R162 HydrophobicContact CE2-CG 3.74Å; F158-R162 VanDerWaalsContact CZ-CD 3.43Å; F158-R162 HydrophobicContact CZ-CG 3.8Å; F158-R162 WeakPolarHBondContact O-CG 3.42Å; F158-R162 PolarHBondContact O-N 3.23Å; F158-D193 HydrophobicContact CD1-CB 4.43Å; F158-D193 HydrophobicContact CD2-CB 3.92Å; F158-D193 HydrophobicContact CE1-CB 4.06Å; F158-D193 HydrophobicContact CE2-CB 3.57Å; F158-D193 HydrophobicContact CG-CB 4.34Å; F158-D193 HydrophobicContact CZ-CB 3.61Å; F158-V194 HydrophobicContact CB-CG2 3.84Å; F158-V194 HydrophobicContact CD2-CG2 4.35Å; F158-V194 HydrophobicContact CG-CG2 4.49Å; F158-Y197 HydrophobicContact CE2-CD2 4.15Å; F158-Y197 AromaticContact CE2-CE2 3.76Å; F158-Y197 HydrophobicContact CE2-CE2 3.76Å |
| 159 | D | 97.3 | Very high | 97.3 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 22% | 0.219 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 174.1 | -176.5 | 43.3 | 0 | 0 | 0 | 111.6 | G155 R156 V157 I161 R162 R163 | G155-D159 PolarHBondContact O-N 2.92Å; G155-D159 VanDerWaalsContact O-N 3.08Å; R156-D159 PolarHBondContact O-N 3.39Å; V157-D159 PolarHBondContact O-N 2.83Å; D159-I161 VanDerWaalsContact C-N 3.34Å; D159-I161 PolarHBondContact O-N 3.46Å; D159-R162 PolarHBondContact O-N 3.38Å; D159-R163 VanDerWaalsContact CG-NE 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 VanDerWaalsContact O-CG 3.28Å; D159-R163 WeakPolarHBondContact O-CG 3.46Å; D159-R163 PolarHBondContact O-N 3.17Å; D159-R163 IonicContact OD1-CZ 2.71Å; D159-R163 IonicContact OD1-NE 3.26Å; D159-R163 PolarHBondContact OD1-NE 2.7Å; D159-R163 IonicContact OD1-NH2 3.85Å; D159-R163 PolarHBondContact OD1-NH2 3.02Å; D159-R163 IonicContact OD2-CZ 3.34Å; D159-R163 IonicContact OD2-NE 2.71Å; D159-R163 PolarHBondContact OD2-NE 3.4Å; D159-R163 IonicContact OD2-NH2 3.66Å |
| 160 | M | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -34.4 | 178.4 | -67.6 | -54.5 | 99.8 | 0 | 0 | 113 | C130 I136 D139 I140 L143 R156 V157 F158 R164 S165 L166 | C130-M160 WeakPolarHBondContact SG-CG 3.33Å; I136-M160 HydrophobicContact CG2-CE 3.85Å; D139-M160 HydrophobicContact CB-SD 4.11Å; I140-M160 HydrophobicContact CG1-SD 4.07Å; L143-M160 HydrophobicContact CD1-CB 3.78Å; L143-M160 HydrophobicContact CD1-CG 3.72Å; L143-M160 HydrophobicContact CD1-SD 3.98Å; R156-M160 WeakPolarHBondContact O-CG 3.42Å; R156-M160 PolarHBondContact O-N 3.48Å; V157-M160 PolarHBondContact O-N 3.48Å; F158-M160 VanDerWaalsContact C-N 3.33Å; F158-M160 PolarHBondContact O-N 2.97Å; M160-R164 PolarHBondContact O-N 3.15Å; M160-S165 PolarHBondContact O-N 2.89Å; M160-L166 HydrophobicContact CB-CB 3.89Å; M160-L166 PolarHBondContact O-N 2.97Å |
| 161 | I | 97.7 | Very high | 97.2 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -48.8 | 173.2 | -67.4 | 171.3 | 0 | 0 | 0 | 110.2 | V157 F158 D159 R163 R164 L166 T168 V194 Y197 | V157-I161 HydrophobicContact CG1-CD1 4.02Å; V157-I161 WeakPolarHBondContact O-CG1 3.21Å; V157-I161 PolarHBondContact O-N 3.44Å; F158-I161 PolarHBondContact O-N 3.4Å; D159-I161 VanDerWaalsContact C-N 3.34Å; D159-I161 PolarHBondContact O-N 3.46Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 3.43Å; I161-R164 WeakPolarHBondContact O-CA 3.15Å; I161-R164 PolarHBondContact O-N 3.38Å; I161-L166 HydrophobicContact CD1-CD2 4.28Å; I161-L166 HydrophobicContact CG1-CB 4.06Å; I161-L166 HydrophobicContact CG1-CD2 3.8Å; I161-L166 HydrophobicContact CG1-CG 3.95Å; I161-T168 HydrophobicContact CD1-CG2 3.96Å; I161-T168 HydrophobicContact CG1-CG2 3.99Å; I161-T168 HydrophobicContact CG2-CG2 4.48Å; I161-V194 HydrophobicContact CD1-CG1 4.03Å; I161-V194 HydrophobicContact CD1-CG2 4.44Å; I161-Y197 HydrophobicContact CG2-CD1 3.69Å; I161-Y197 HydrophobicContact CG2-CD2 4.1Å; I161-Y197 HydrophobicContact CG2-CE1 4.37Å; I161-Y197 HydrophobicContact CG2-CG 3.53Å |
| 162 | R | 96.7 | Very high | 97.2 | Very high | 168 Ų | 168 | 54.5 Ų | 54.5 | 63% | 0.634 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -60.9 | -36.2 | -179.9 | -76 | -172.5 | 67.1 | -172.7 | 1.8 | 112.9 | F158 D159 R164 | F158-R162 HydrophobicContact CD2-CG 4.17Å; F158-R162 VanDerWaalsContact CE1-CD 3.48Å; F158-R162 HydrophobicContact CE1-CG 4.2Å; F158-R162 HydrophobicContact CE2-CG 3.74Å; F158-R162 VanDerWaalsContact CZ-CD 3.43Å; F158-R162 HydrophobicContact CZ-CG 3.8Å; F158-R162 WeakPolarHBondContact O-CG 3.42Å; F158-R162 PolarHBondContact O-N 3.23Å; D159-R162 PolarHBondContact O-N 3.38Å; R162-R164 PolarHBondContact O-N 3.17Å |
| 163 | R | 96.2 | Very high | 97.2 | Very high | 133 Ų | 133 | 54.6 Ų | 54.6 | 50% | 0.502 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.2 | 174.5 | -69.7 | 172.6 | -174.7 | -88.6 | -3.2 | 113.7 | D159 I161 S165 | D159-R163 VanDerWaalsContact CG-NE 3.27Å; D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 VanDerWaalsContact O-CG 3.28Å; D159-R163 WeakPolarHBondContact O-CG 3.46Å; D159-R163 PolarHBondContact O-N 3.17Å; D159-R163 IonicContact OD1-CZ 2.71Å; D159-R163 IonicContact OD1-NE 3.26Å; D159-R163 PolarHBondContact OD1-NE 2.7Å; D159-R163 IonicContact OD1-NH2 3.85Å; D159-R163 PolarHBondContact OD1-NH2 3.02Å; D159-R163 IonicContact OD2-CZ 3.34Å; D159-R163 IonicContact OD2-NE 2.71Å; D159-R163 PolarHBondContact OD2-NE 3.4Å; D159-R163 IonicContact OD2-NH2 3.66Å; I161-R163 VanDerWaalsContact C-N 3.27Å; I161-R163 PolarHBondContact O-N 3.43Å; R163-S165 PolarHBondContact O-N 2.75Å |
| 164 | R | 96.3 | Very high | 97.3 | Very high | 214 Ų | 214 | 53.8 Ų | 53.8 | 81% | 0.808 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 15.5 | -174.1 | -51.1 | 179 | 176.9 | -175.9 | -1.9 | 114.3 | M160 I161 R162 | M160-R164 PolarHBondContact O-N 3.15Å; I161-R164 WeakPolarHBondContact O-CA 3.15Å; I161-R164 PolarHBondContact O-N 3.38Å; R162-R164 PolarHBondContact O-N 3.17Å |
| 165 | S | 96.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 11% | 0.105 | 23% | 0.232 | C | C | . | . | trans | -78 | -40.9 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 110.9 | M160 R163 | M160-S165 PolarHBondContact O-N 2.89Å; R163-S165 PolarHBondContact O-N 2.75Å | ||
| 166 | L | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -89.9 | 107 | 168.6 | 175.8 | 52.6 | 0 | 0 | 0 | 109.6 | T97 L100 L143 I150 V157 M160 I161 | T97-L166 HydrophobicContact CG2-CD1 4.15Å; L100-L166 HydrophobicContact CD1-CD2 4.33Å; L143-L166 HydrophobicContact CD1-CB 4.12Å; L143-L166 HydrophobicContact CD2-CB 4.27Å; L143-L166 HydrophobicContact CD2-CD1 3.96Å; I150-L166 HydrophobicContact CG1-CD1 3.91Å; I150-L166 HydrophobicContact CG1-CD2 4.45Å; I150-L166 HydrophobicContact CG2-CD2 4.36Å; V157-L166 HydrophobicContact CG1-CD2 4.08Å; M160-L166 HydrophobicContact CB-CB 3.89Å; M160-L166 PolarHBondContact O-N 2.97Å; I161-L166 HydrophobicContact CD1-CD2 4.28Å; I161-L166 HydrophobicContact CG1-CB 4.06Å; I161-L166 HydrophobicContact CG1-CD2 3.8Å; I161-L166 HydrophobicContact CG1-CG 3.95Å |
| 167 | R | 96.7 | Very high | 97.2 | Very high | 154 Ų | 154 | 51 Ų | 51 | 58% | 0.581 | 21% | 0.21 | S | C | * | . | trans | -85.9 | 124.1 | 175.1 | -58.3 | 177.5 | -167.2 | 167.3 | 6.4 | 109.4 | ||||
| 168 | T | 97.7 | Very high | 96.8 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.147 | 21% | 0.212 | C | C | . | . | trans | -98.4 | -1.5 | -172.7 | 53.3 | 0 | 0 | 0 | 0 | 114.1 | I161 A170 V171 Y197 L198 P199 | I161-T168 HydrophobicContact CD1-CG2 3.96Å; I161-T168 HydrophobicContact CG1-CG2 3.99Å; I161-T168 HydrophobicContact CG2-CG2 4.48Å; T168-A170 PolarHBondContact O-N 3.3Å; T168-A170 VanDerWaalsContact O-N 3.08Å; T168-V171 WeakPolarHBondContact O-CB 3.33Å; T168-V171 WeakPolarHBondContact O-CG2 3.4Å; T168-V171 PolarHBondContact O-N 2.91Å; T168-Y197 WeakPolarHBondContact CB-O 3.14Å; T168-Y197 PolarHBondContact OG1-O 3.37Å; T168-L198 HydrophobicContact CG2-CD2 3.85Å; T168-P199 VanDerWaalsContact O-CD 3.23Å; T168-P199 WeakPolarHBondContact O-CD 3.49Å; T168-P199 VanDerWaalsContact O-CG 3.26Å; T168-P199 WeakPolarHBondContact O-CG 3.41Å | ||
| 169 | R | 97.4 | Very high | 96.5 | Very high | 169 Ų | 169 | 49.9 Ų | 49.9 | 64% | 0.638 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -30.2 | -170.8 | 69.4 | 177.3 | 178.2 | -171.4 | -1.4 | 115.3 | E96 | E96-R169 IonicContact OE1-CZ 2.66Å; E96-R169 VanDerWaalsContact OE1-CZ 3.32Å; E96-R169 IonicContact OE1-NE 2.79Å; E96-R169 PolarHBondContact OE1-NE 3.31Å; E96-R169 IonicContact OE1-NH2 2.91Å; E96-R169 PolarHBondContact OE1-NH2 3.14Å; E96-R169 WeakPolarHBondContact OE2-CG 3.4Å; E96-R169 IonicContact OE2-CZ 3.71Å; E96-R169 IonicContact OE2-NE 2.92Å; E96-R169 PolarHBondContact OE2-NE 2.9Å; E96-R169 IonicContact OE2-NH2 3.19Å |
| 170 | A | 98 | Very high | 96 | Very high | 23 Ų | 23 | 48 Ų | 48 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L94 E96 T97 Q98 T168 K172 | L94-A170 HydrophobicContact CD2-CB 4.33Å; E96-A170 HydrophobicContact CB-CB 3.86Å; T97-A170 CarbonylContact O-C 3.5Å; T97-A170 VanDerWaalsContact O-C 3.26Å; Q98-A170 WeakPolarHBondContact CA-O 3.48Å; Q98-A170 HydrophobicContact CG-CB 4.28Å; T168-A170 PolarHBondContact O-N 3.3Å; T168-A170 VanDerWaalsContact O-N 3.08Å; A170-K172 PolarHBondContact O-N 2.98Å; A170-K172 VanDerWaalsContact O-N 3.16Å |
| 171 | V | 98.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 20% | 0.197 | C | C | . | . | trans | -69.3 | 113.4 | -177.4 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | T97 Q98 L100 T168 L198 P199 T202 | T97-V171 HydrophobicContact CG2-CG2 4.11Å; T97-V171 WeakPolarHBondContact O-CG2 3.48Å; T97-V171 PolarHBondContact O-N 3.35Å; Q98-V171 WeakPolarHBondContact O-CA 3.49Å; L100-V171 HydrophobicContact CB-CG1 4.19Å; T168-V171 WeakPolarHBondContact O-CB 3.33Å; T168-V171 WeakPolarHBondContact O-CG2 3.4Å; T168-V171 PolarHBondContact O-N 2.91Å; V171-L198 HydrophobicContact CB-CD2 4.29Å; V171-L198 HydrophobicContact CG1-CD2 4.06Å; V171-L198 HydrophobicContact CG2-CD2 4.49Å; V171-P199 WeakPolarHBondContact O-CD 3.34Å; V171-T202 HydrophobicContact CG1-CG2 4.31Å; V171-T202 PolarHBondContact O-OG1 3.32Å; V171-T202 VanDerWaalsContact O-OG1 3.08Å | ||
| 172 | K | 97.6 | Very high | 95.2 | Very high | 76 Ų | 76 | 48 Ų | 48 | 33% | 0.33 | 20% | 0.195 | S | C | . | . | trans | -109.4 | -18 | 179 | 64.1 | -167.6 | -179 | -161.2 | 0 | 113.2 | M89 Q98 A170 Q203 | M89-K172 WeakPolarHBondContact O-CE 3.2Å; M89-K172 PolarHBondContact O-NZ 2.8Å; Q98-K172 PolarHBondContact O-N 3.41Å; A170-K172 PolarHBondContact O-N 2.98Å; A170-K172 VanDerWaalsContact O-N 3.16Å; K172-Q203 WeakPolarHBondContact O-CB 3.28Å; K172-Q203 PolarHBondContact O-N 3.5Å | ||
| 173 | L | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 125.1 | 179.6 | 176.8 | 59.5 | 0 | 0 | 0 | 110.7 | I62 I86 M89 Q98 A99 L100 V175 Q203 V205 | I62-L173 HydrophobicContact CG2-CD2 4.5Å; I86-L173 HydrophobicContact CG1-CD2 3.69Å; M89-L173 HydrophobicContact SD-CD2 4.17Å; Q98-L173 PolarHBondContact O-N 2.71Å; A99-L173 WeakPolarHBondContact CA-O 3.43Å; A99-L173 HydrophobicContact CB-CB 4.31Å; L100-L173 PolarHBondContact N-O 2.7Å; L173-V175 HydrophobicContact CD1-CG2 3.91Å; L173-V175 HydrophobicContact CD2-CG2 4.23Å; L173-V175 HydrophobicContact CG-CG2 3.83Å; L173-Q203 HydrophobicContact CD1-CB 4.23Å; L173-Q203 HydrophobicContact CD1-CG 4.05Å; L173-V205 HydrophobicContact CD1-CB 4.38Å; L173-V205 HydrophobicContact CD1-CG2 3.66Å |
| 174 | F | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.7 | 174.9 | -179.2 | -126.5 | 0 | 0 | 0 | 110 | L100 L102 L176 I191 V194 Y195 L198 T202 Q203 V204 V205 | L100-F174 HydrophobicContact CB-CD2 4.19Å; L100-F174 HydrophobicContact CD2-CD2 4.02Å; L100-F174 HydrophobicContact CD2-CE2 3.98Å; L100-F174 HydrophobicContact CG-CD2 4.12Å; L100-F174 HydrophobicContact CG-CE2 4.26Å; L100-F174 CarbonylContact O-C 3.59Å; L100-F174 WeakPolarHBondContact O-CA 3.42Å; L102-F174 HydrophobicContact CD1-CE2 3.62Å; L102-F174 HydrophobicContact CD1-CZ 3.54Å; L102-F174 HydrophobicContact CG-CE2 3.69Å; L102-F174 HydrophobicContact CG-CZ 4.08Å; F174-L176 HydrophobicContact CE1-CD2 3.72Å; F174-L176 HydrophobicContact CE1-CG 4.16Å; F174-L176 HydrophobicContact CE2-CD2 4.3Å; F174-L176 HydrophobicContact CZ-CD2 3.57Å; F174-L176 HydrophobicContact CZ-CG 4.46Å; F174-I191 HydrophobicContact CE1-CG2 4.42Å; F174-I191 HydrophobicContact CZ-CG2 4.39Å; F174-V194 HydrophobicContact CE2-CG1 3.81Å; F174-V194 HydrophobicContact CZ-CG1 4.14Å; F174-Y195 AromaticContact CD1-CD2 3.87Å; F174-Y195 HydrophobicContact CD1-CD2 3.87Å; F174-Y195 HydrophobicContact CE1-CD2 4.04Å; F174-L198 HydrophobicContact CB-CD1 3.7Å; F174-L198 HydrophobicContact CD1-CD1 4.11Å; F174-L198 HydrophobicContact CD2-CD1 3.63Å; F174-L198 HydrophobicContact CE2-CD1 4.2Å; F174-L198 HydrophobicContact CG-CD1 3.56Å; F174-T202 HydrophobicContact CB-CG2 3.67Å; F174-Q203 PolarHBondContact N-O 3.04Å; F174-V204 HydrophobicContact CD1-CG1 4.39Å; F174-V204 HydrophobicContact CD1-CG2 4.35Å; F174-V204 CarbonylContact O-C 3.53Å; F174-V204 VanDerWaalsContact O-CA 3.32Å; F174-V204 WeakPolarHBondContact O-CA 3.49Å; F174-V205 PolarHBondContact O-N 3.38Å |
| 175 | V | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.7 | -175.8 | -178 | 0 | 0 | 0 | 0 | 111.1 | L82 L100 V101 L102 L173 V205 | L82-V175 HydrophobicContact CD1-CB 3.84Å; L82-V175 HydrophobicContact CD1-CG1 3.51Å; L82-V175 HydrophobicContact CD1-CG2 3.41Å; L82-V175 VanDerWaalsContact CD1-CG2 3.41Å; L82-V175 HydrophobicContact CD2-CG1 3.86Å; L82-V175 HydrophobicContact CG-CG1 4.3Å; L100-V175 PolarHBondContact O-N 3.5Å; V101-V175 WeakPolarHBondContact CA-O 3.31Å; V101-V175 HydrophobicContact CB-CB 4.48Å; V101-V175 HydrophobicContact CG1-CB 4.24Å; V101-V175 HydrophobicContact CG1-CG1 4.31Å; V101-V175 HydrophobicContact CG2-CB 4.21Å; L102-V175 PolarHBondContact N-O 3.16Å; L173-V175 HydrophobicContact CD1-CG2 3.91Å; L173-V175 HydrophobicContact CD2-CG2 4.23Å; L173-V175 HydrophobicContact CG-CG2 3.83Å; V175-V205 CarbonylContact C-O 3.56Å; V175-V205 VanDerWaalsContact CA-O 3.26Å; V175-V205 WeakPolarHBondContact CA-O 3.39Å; V175-V205 HydrophobicContact CG1-CB 4.34Å; V175-V205 HydrophobicContact CG1-CG1 4.37Å; V175-V205 HydrophobicContact CG2-CB 3.91Å |
| 176 | L | 95.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 102.5 | 170.1 | -58.3 | -179.7 | 0 | 0 | 0 | 108.5 | L102 F174 A179 M182 I191 V205 L206 L207 M218 | L102-L176 HydrophobicContact CB-CD2 3.99Å; L102-L176 HydrophobicContact CD1-CD2 3.98Å; L102-L176 HydrophobicContact CG-CD2 4.29Å; F174-L176 HydrophobicContact CE1-CD2 3.72Å; F174-L176 HydrophobicContact CE1-CG 4.16Å; F174-L176 HydrophobicContact CE2-CD2 4.3Å; F174-L176 HydrophobicContact CZ-CD2 3.57Å; F174-L176 HydrophobicContact CZ-CG 4.46Å; L176-A179 HydrophobicContact CB-CB 4.02Å; L176-M182 HydrophobicContact CB-CE 3.61Å; L176-M182 HydrophobicContact CD2-CE 3.81Å; L176-M182 HydrophobicContact CG-CE 4.26Å; L176-I191 HydrophobicContact CD1-CG2 4.05Å; L176-I191 HydrophobicContact CD2-CD1 4.42Å; L176-I191 HydrophobicContact CD2-CG1 4.31Å; L176-I191 HydrophobicContact CD2-CG2 3.92Å; L176-V205 PolarHBondContact N-O 2.98Å; L176-L206 HydrophobicContact CD1-CD1 4.4Å; L176-L207 PolarHBondContact O-N 3.4Å; L176-M218 HydrophobicContact CD1-SD 3.78Å |
| 177 | D | 93.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 132 | 173.5 | -164.5 | 17.5 | 0 | 0 | 0 | 110.1 | V101 L102 P104 I112 M182 | V101-D177 HydrophobicContact CG1-CB 4.48Å; L102-D177 PolarHBondContact O-N 3.44Å; P104-D177 VanDerWaalsContact CD-O 3.28Å; P104-D177 WeakPolarHBondContact CD-O 3.49Å; I112-D177 HydrophobicContact CD1-CB 4.38Å; D177-M182 WeakPolarHBondContact O-CE 3.4Å |
| 178 | E | 89.9 | Confident | 92.6 | Very high | 6 Ų | 6 | 31.3 Ų | 31.3 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 53.5 | -170.9 | -55.6 | -167.9 | 148.3 | 0 | 0 | 112.3 | P104 L108 D180 E181 M182 L207 R329 G330 | P104-E178 HydrophobicContact CG-CB 3.83Å; L108-E178 HydrophobicContact CD2-CB 4.5Å; L108-E178 HydrophobicContact CD2-CG 3.89Å; L108-E178 WeakPolarHBondContact CD2-OE2 3.2Å; E178-D180 VanDerWaalsContact C-N 3.3Å; E178-D180 PolarHBondContact O-N 3.34Å; E178-E181 HydrophobicContact CB-CB 4.26Å; E178-E181 WeakPolarHBondContact O-CB 3.35Å; E178-E181 PolarHBondContact O-N 3.02Å; E178-E181 VanDerWaalsContact O-N 3.16Å; E178-M182 PolarHBondContact O-N 2.91Å; E178-M182 VanDerWaalsContact O-N 3.08Å; E178-L207 WeakPolarHBondContact CA-O 3.28Å; E178-L207 PolarHBondContact N-O 3.23Å; E178-R329 WeakPolarHBondContact OE2-CB 3.25Å; E178-G330 WeakPolarHBondContact OE1-CA 3.42Å; E178-G330 PolarHBondContact OE1-N 3.21Å; E178-G330 PolarHBondContact OE2-N 3.08Å |
| 179 | A | 90.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -36.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L176 E181 M182 L183 L206 L207 I215 | L176-A179 HydrophobicContact CB-CB 4.02Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.98Å; A179-M182 HydrophobicContact CB-CE 4.36Å; A179-M182 PolarHBondContact O-N 3.48Å; A179-L183 PolarHBondContact O-N 3.1Å; A179-L206 HydrophobicContact CB-CD1 3.79Å; A179-L206 HydrophobicContact CB-CD2 3.86Å; A179-L206 HydrophobicContact CB-CG 3.61Å; A179-L207 PolarHBondContact N-O 3.22Å; A179-I215 HydrophobicContact CB-CD1 3.76Å; A179-I215 VanDerWaalsContact O-CD1 3.26Å; A179-I215 WeakPolarHBondContact O-CD1 3.45Å |
| 180 | D | 87.8 | Confident | 92.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -54.8 | -49 | 173.2 | 55.6 | -34.9 | 0 | 0 | 0 | 111.4 | E178 M182 L183 D184 S208 T210 P212 I215 R329 H353 | E178-D180 VanDerWaalsContact C-N 3.3Å; E178-D180 PolarHBondContact O-N 3.34Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.19Å; D180-L183 WeakPolarHBondContact O-CB 3.35Å; D180-L183 PolarHBondContact O-N 3.33Å; D180-L183 VanDerWaalsContact O-N 3.15Å; D180-D184 PolarHBondContact O-N 3.38Å; D180-S208 WeakPolarHBondContact CB-OG 3.36Å; D180-S208 PolarHBondContact OD1-OG 2.92Å; D180-S208 PolarHBondContact OD2-OG 3.31Å; D180-T210 WeakPolarHBondContact CB-OG1 3.31Å; D180-T210 PolarHBondContact OD2-OG1 2.96Å; D180-P212 HydrophobicContact CB-CG 4.48Å; D180-I215 HydrophobicContact CB-CD1 4.43Å; D180-I215 HydrophobicContact CB-CG1 4.19Å; D180-I215 VanDerWaalsContact N-CD1 3.31Å; D180-R329 IonicContact OD2-NH2 3.1Å; D180-H353 IonicContact OD2-CE1 2.75Å; D180-H353 IonicContact OD2-NE2 3.32Å; D180-H353 PolarHBondContact OD2-NE2 2.9Å |
| 181 | E | 87.2 | Confident | 92 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.7 | -36.3 | 177.2 | 171.8 | 66.2 | 144 | 0 | 0 | 112.8 | P104 E178 A179 L183 D184 K185 R329 | P104-E181 HydrophobicContact CB-CB 4.09Å; P104-E181 HydrophobicContact CB-CG 3.31Å; P104-E181 HydrophobicContact CG-CB 4.04Å; P104-E181 HydrophobicContact CG-CG 3.54Å; E178-E181 HydrophobicContact CB-CB 4.26Å; E178-E181 WeakPolarHBondContact O-CB 3.35Å; E178-E181 PolarHBondContact O-N 3.02Å; E178-E181 VanDerWaalsContact O-N 3.16Å; A179-E181 VanDerWaalsContact C-N 3.34Å; A179-E181 PolarHBondContact O-N 2.98Å; E181-L183 PolarHBondContact O-N 2.75Å; E181-D184 PolarHBondContact O-N 2.97Å; E181-K185 HydrophobicContact CG-CD 4.21Å; E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 PolarHBondContact O-N 2.9Å; E181-K185 WeakPolarHBondContact OE1-CE 3.41Å; E181-K185 IonicContact OE1-NZ 3.43Å; E181-K185 PolarHBondContact OE1-NZ 3.02Å; E181-R329 VanDerWaalsContact CB-CD 3.47Å; E181-R329 IonicContact OE1-NH1 3.89Å; E181-R329 PolarHBondContact OE1-NH1 3.26Å; E181-R329 IonicContact OE2-CZ 3.44Å; E181-R329 IonicContact OE2-NH1 3.38Å; E181-R329 PolarHBondContact OE2-NH1 2.84Å |
| 182 | M | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.9 | -35.8 | 175.2 | -70 | -167.5 | -74.4 | 0 | 0 | 111.3 | L102 P104 P154 L176 D177 E178 A179 D180 F187 I191 | L102-M182 HydrophobicContact CB-CE 4.3Å; L102-M182 HydrophobicContact CB-SD 3.9Å; P104-M182 HydrophobicContact CB-CG 3.77Å; P104-M182 HydrophobicContact CG-CG 4.33Å; P154-M182 HydrophobicContact CG-SD 3.99Å; L176-M182 HydrophobicContact CB-CE 3.61Å; L176-M182 HydrophobicContact CD2-CE 3.81Å; L176-M182 HydrophobicContact CG-CE 4.26Å; D177-M182 WeakPolarHBondContact O-CE 3.4Å; E178-M182 PolarHBondContact O-N 2.91Å; E178-M182 VanDerWaalsContact O-N 3.08Å; A179-M182 HydrophobicContact CB-CE 4.36Å; A179-M182 PolarHBondContact O-N 3.48Å; D180-M182 VanDerWaalsContact C-N 3.34Å; D180-M182 PolarHBondContact O-N 3.19Å; M182-F187 HydrophobicContact CB-CB 4.26Å; M182-F187 HydrophobicContact CB-CD2 4.25Å; M182-F187 HydrophobicContact CG-CD2 4.29Å; M182-F187 WeakPolarHBondContact O-CA 3.49Å; M182-F187 VanDerWaalsContact O-CB 3.24Å; M182-F187 WeakPolarHBondContact O-CB 3.47Å; M182-F187 PolarHBondContact O-N 3.09Å; M182-I191 HydrophobicContact CB-CD1 3.8Å; M182-I191 HydrophobicContact CE-CD1 4.22Å; M182-I191 HydrophobicContact SD-CD1 4.14Å |
| 183 | L | 88.3 | Confident | 91.6 | Very high | 14 Ų | 14 | 32 Ų | 32 | 7% | 0.073 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.6 | -46.9 | 171.8 | -77 | -168.8 | 0 | 0 | 0 | 112.7 | A179 D180 E181 K185 G186 K188 E214 I215 M218 | A179-L183 PolarHBondContact O-N 3.1Å; D180-L183 WeakPolarHBondContact O-CB 3.35Å; D180-L183 PolarHBondContact O-N 3.33Å; D180-L183 VanDerWaalsContact O-N 3.15Å; E181-L183 PolarHBondContact O-N 2.75Å; L183-K185 PolarHBondContact O-N 2.87Å; L183-G186 WeakPolarHBondContact O-CA 3.38Å; L183-G186 PolarHBondContact O-N 3.38Å; L183-K188 HydrophobicContact CD2-CB 3.58Å; L183-K188 HydrophobicContact CD2-CD 3.97Å; L183-K188 HydrophobicContact CD2-CG 3.71Å; L183-E214 HydrophobicContact CD1-CB 3.8Å; L183-I215 HydrophobicContact CB-CD1 4.36Å; L183-I215 HydrophobicContact CD1-CB 4.5Å; L183-I215 HydrophobicContact CD1-CD1 3.29Å; L183-I215 HydrophobicContact CD1-CG1 3.72Å; L183-I215 HydrophobicContact CG-CD1 3.68Å; L183-M218 HydrophobicContact CD1-CE 3.84Å; L183-M218 HydrophobicContact CD2-CE 3.09Å; L183-M218 HydrophobicContact CG-CE 3.47Å; L183-M218 VanDerWaalsContact CG-CE 3.47Å |
| 184 | D | 83.9 | Confident | 91.5 | Very high | 90 Ų | 90 | 31.9 Ų | 31.9 | 48% | 0.481 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -55.4 | -38.2 | 177.8 | -70.4 | -17.2 | 0 | 0 | 0 | 111.7 | D180 E181 G186 R329 | D180-D184 PolarHBondContact O-N 3.38Å; E181-D184 PolarHBondContact O-N 2.97Å; D184-G186 PolarHBondContact O-N 3.42Å; D184-R329 IonicContact OD2-CZ 2.7Å; D184-R329 IonicContact OD2-NH1 2.71Å; D184-R329 IonicContact OD2-NH2 3.74Å; D184-R329 PolarHBondContact OD2-NH2 3.07Å |
| 185 | K | 84 | Confident | 91.3 | Very high | 73 Ų | 73 | 35 Ų | 35 | 32% | 0.317 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 2.1 | 176.8 | -75.2 | -179.3 | 172.7 | 152.7 | 0 | 114.6 | P104 E181 L183 F187 | P104-K185 HydrophobicContact CB-CD 4.24Å; E181-K185 HydrophobicContact CG-CD 4.21Å; E181-K185 WeakPolarHBondContact O-CB 3.45Å; E181-K185 PolarHBondContact O-N 2.9Å; E181-K185 WeakPolarHBondContact OE1-CE 3.41Å; E181-K185 IonicContact OE1-NZ 3.43Å; E181-K185 PolarHBondContact OE1-NZ 3.02Å; L183-K185 PolarHBondContact O-N 2.87Å; K185-F187 VanDerWaalsContact C-N 3.33Å; K185-F187 HydrophobicContact CB-CD2 3.87Å; K185-F187 HydrophobicContact CB-CE2 3.81Å; K185-F187 HydrophobicContact CB-CG 4.48Å; K185-F187 HydrophobicContact CB-CZ 4.37Å; K185-F187 HydrophobicContact CD-CE2 3.98Å; K185-F187 PolarHBondContact O-N 2.95Å |
| 186 | G | 89.2 | Confident | 91.2 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 49% | 0.485 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 19.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | L183 D184 K188 Q190 | L183-G186 WeakPolarHBondContact O-CA 3.38Å; L183-G186 PolarHBondContact O-N 3.38Å; D184-G186 PolarHBondContact O-N 3.42Å; G186-K188 PolarHBondContact O-N 2.82Å; G186-Q190 PolarHBondContact O-OE1 3.12Å |
| 187 | F | 90.2 | Very high | 91.3 | Very high | 47 Ų | 47 | 50 Ų | 50 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | trans | -78.2 | 7.8 | 177.6 | -63.3 | -45.4 | 0 | 0 | 0 | 114.3 | P154 M182 K185 E189 Q190 I191 | P154-F187 HydrophobicContact CB-CB 4.34Å; P154-F187 HydrophobicContact CB-CG 4.37Å; P154-F187 HydrophobicContact CG-CB 4Å; P154-F187 HydrophobicContact CG-CD2 4.09Å; P154-F187 HydrophobicContact CG-CG 3.99Å; M182-F187 HydrophobicContact CB-CB 4.26Å; M182-F187 HydrophobicContact CB-CD2 4.25Å; M182-F187 HydrophobicContact CG-CD2 4.29Å; M182-F187 WeakPolarHBondContact O-CA 3.49Å; M182-F187 VanDerWaalsContact O-CB 3.24Å; M182-F187 WeakPolarHBondContact O-CB 3.47Å; M182-F187 PolarHBondContact O-N 3.09Å; K185-F187 VanDerWaalsContact C-N 3.33Å; K185-F187 HydrophobicContact CB-CD2 3.87Å; K185-F187 HydrophobicContact CB-CE2 3.81Å; K185-F187 HydrophobicContact CB-CG 4.48Å; K185-F187 HydrophobicContact CB-CZ 4.37Å; K185-F187 HydrophobicContact CD-CE2 3.98Å; K185-F187 PolarHBondContact O-N 2.95Å; F187-E189 PolarHBondContact O-N 3.01Å; F187-Q190 VanDerWaalsContact CA-OE1 3.27Å; F187-Q190 PolarHBondContact O-N 3.48Å; F187-I191 HydrophobicContact CB-CD1 4.46Å; F187-I191 VanDerWaalsContact O-CG1 3.31Å; F187-I191 WeakPolarHBondContact O-CG1 3.26Å; F187-I191 PolarHBondContact O-N 2.68Å | ||
| 188 | K | 91.3 | Very high | 91.4 | Very high | 69 Ų | 69 | 50.8 Ų | 50.8 | 30% | 0.3 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -50 | -58.2 | 180 | -169.9 | 171.5 | -174.6 | 167.1 | 0 | 110.7 | L183 G186 Q190 I191 Y192 | L183-K188 HydrophobicContact CD2-CB 3.58Å; L183-K188 HydrophobicContact CD2-CD 3.97Å; L183-K188 HydrophobicContact CD2-CG 3.71Å; G186-K188 PolarHBondContact O-N 2.82Å; K188-Q190 VanDerWaalsContact C-N 3.34Å; K188-Q190 PolarHBondContact O-N 3.33Å; K188-I191 WeakPolarHBondContact O-CB 3.33Å; K188-I191 PolarHBondContact O-N 2.83Å; K188-I191 VanDerWaalsContact O-N 3.17Å; K188-Y192 HydrophobicContact CG-CD2 4.11Å; K188-Y192 HydrophobicContact CG-CE2 3.85Å; K188-Y192 VanDerWaalsContact O-CD2 3.24Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.47Å; K188-Y192 VanDerWaalsContact O-N 3.09Å |
| 189 | E | 92 | Very high | 91.8 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 69% | 0.687 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.2 | -41.6 | -177.6 | -64.3 | -156.1 | 151.9 | 0 | 0 | 112.5 | F187 I191 Y192 D193 | F187-E189 PolarHBondContact O-N 3.01Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.06Å; E189-Y192 WeakPolarHBondContact O-CB 3.36Å; E189-Y192 PolarHBondContact O-N 2.88Å; E189-D193 WeakPolarHBondContact O-CB 3.04Å; E189-D193 PolarHBondContact O-N 3.49Å |
| 190 | Q | 92.9 | Very high | 91.9 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 30% | 0.304 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -34.2 | 178.1 | -65.5 | 82.9 | -5.1 | 0 | 0 | 112.4 | P154 G186 F187 K188 D193 V194 | P154-Q190 HydrophobicContact CB-CB 3.75Å; G186-Q190 PolarHBondContact O-OE1 3.12Å; F187-Q190 VanDerWaalsContact CA-OE1 3.27Å; F187-Q190 PolarHBondContact O-N 3.48Å; K188-Q190 VanDerWaalsContact C-N 3.34Å; K188-Q190 PolarHBondContact O-N 3.33Å; Q190-D193 PolarHBondContact O-N 2.88Å; Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 3.33Å |
| 191 | I | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 172.7 | -69 | 163.9 | 0 | 0 | 0 | 110.2 | L102 P154 F174 L176 M182 F187 K188 E189 D193 V194 Y195 M218 F222 | L102-I191 HydrophobicContact CD1-CG1 4.17Å; P154-I191 HydrophobicContact CG-CG1 4.43Å; F174-I191 HydrophobicContact CE1-CG2 4.42Å; F174-I191 HydrophobicContact CZ-CG2 4.39Å; L176-I191 HydrophobicContact CD1-CG2 4.05Å; L176-I191 HydrophobicContact CD2-CD1 4.42Å; L176-I191 HydrophobicContact CD2-CG1 4.31Å; L176-I191 HydrophobicContact CD2-CG2 3.92Å; M182-I191 HydrophobicContact CB-CD1 3.8Å; M182-I191 HydrophobicContact CE-CD1 4.22Å; M182-I191 HydrophobicContact SD-CD1 4.14Å; F187-I191 HydrophobicContact CB-CD1 4.46Å; F187-I191 VanDerWaalsContact O-CG1 3.31Å; F187-I191 WeakPolarHBondContact O-CG1 3.26Å; F187-I191 PolarHBondContact O-N 2.68Å; K188-I191 WeakPolarHBondContact O-CB 3.33Å; K188-I191 PolarHBondContact O-N 2.83Å; K188-I191 VanDerWaalsContact O-N 3.17Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.06Å; I191-D193 VanDerWaalsContact C-N 3.29Å; I191-D193 PolarHBondContact O-N 2.96Å; I191-V194 PolarHBondContact O-N 2.75Å; I191-Y195 WeakPolarHBondContact O-CB 3.38Å; I191-Y195 PolarHBondContact O-N 2.9Å; I191-M218 HydrophobicContact CD1-CE 4.14Å; I191-M218 HydrophobicContact CG2-SD 4.33Å; I191-F222 HydrophobicContact CG2-CE2 4.13Å |
| 192 | Y | 93.2 | Very high | 92.7 | Very high | 48 Ų | 48 | 62.6 Ų | 62.6 | 19% | 0.188 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 174.9 | -85.6 | -89.2 | 0 | 0 | 0 | 110.9 | K188 E189 Y195 R196 K221 F222 | K188-Y192 HydrophobicContact CG-CD2 4.11Å; K188-Y192 HydrophobicContact CG-CE2 3.85Å; K188-Y192 VanDerWaalsContact O-CD2 3.24Å; K188-Y192 WeakPolarHBondContact O-CD2 3.28Å; K188-Y192 PolarHBondContact O-N 3.47Å; K188-Y192 VanDerWaalsContact O-N 3.09Å; E189-Y192 WeakPolarHBondContact O-CB 3.36Å; E189-Y192 PolarHBondContact O-N 2.88Å; Y192-Y195 PolarHBondContact O-N 3.13Å; Y192-R196 VanDerWaalsContact O-CG 3.27Å; Y192-R196 WeakPolarHBondContact O-CG 2.98Å; Y192-R196 PolarHBondContact O-N 2.71Å; Y192-K221 HydrophobicContact CE1-CB 4.36Å; Y192-K221 HydrophobicContact CE1-CD 4.02Å; Y192-K221 WeakPolarHBondContact OH-CD 3.43Å; Y192-K221 VanDerWaalsContact OH-CE 3.28Å; Y192-K221 WeakPolarHBondContact OH-CE 3.26Å; Y192-K221 PolarHBondContact OH-NZ 2.91Å; Y192-K221 VanDerWaalsContact OH-NZ 3.11Å; Y192-F222 AromaticContact CD1-CE1 3.3Å; Y192-F222 HydrophobicContact CD1-CE1 3.3Å; Y192-F222 AromaticContact CD1-CZ 3.23Å; Y192-F222 HydrophobicContact CD1-CZ 3.23Å; Y192-F222 HydrophobicContact CD2-CE2 4.44Å; Y192-F222 AromaticContact CD2-CZ 3.66Å; Y192-F222 HydrophobicContact CD2-CZ 3.66Å; Y192-F222 HydrophobicContact CE1-CD1 4.37Å; Y192-F222 AromaticContact CE1-CE1 3.18Å; Y192-F222 HydrophobicContact CE1-CE1 3.18Å; Y192-F222 HydrophobicContact CE1-CE2 4.21Å; Y192-F222 AromaticContact CE1-CZ 3.1Å; Y192-F222 HydrophobicContact CE1-CZ 3.1Å; Y192-F222 HydrophobicContact CE2-CE1 4.44Å; Y192-F222 HydrophobicContact CE2-CE2 4.08Å; Y192-F222 AromaticContact CE2-CZ 3.51Å; Y192-F222 HydrophobicContact CE2-CZ 3.51Å; Y192-F222 HydrophobicContact CG-CE1 4.01Å; Y192-F222 AromaticContact CG-CZ 3.48Å; Y192-F222 HydrophobicContact CG-CZ 3.48Å; Y192-F222 VanDerWaalsContact CG-CZ 3.48Å; Y192-F222 AromaticContact CZ-CE1 3.78Å; Y192-F222 AromaticContact CZ-CE2 3.93Å; Y192-F222 AromaticContact CZ-CZ 3.22Å |
| 193 | D | 94.2 | Very high | 93 | Very high | 50 Ų | 50 | 63 Ų | 63 | 27% | 0.267 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 180 | -83.3 | -18.2 | 0 | 0 | 0 | 111.5 | F158 E189 Q190 I191 R196 Y197 | F158-D193 HydrophobicContact CD1-CB 4.43Å; F158-D193 HydrophobicContact CD2-CB 3.92Å; F158-D193 HydrophobicContact CE1-CB 4.06Å; F158-D193 HydrophobicContact CE2-CB 3.57Å; F158-D193 HydrophobicContact CG-CB 4.34Å; F158-D193 HydrophobicContact CZ-CB 3.61Å; E189-D193 WeakPolarHBondContact O-CB 3.04Å; E189-D193 PolarHBondContact O-N 3.49Å; Q190-D193 PolarHBondContact O-N 2.88Å; I191-D193 VanDerWaalsContact C-N 3.29Å; I191-D193 PolarHBondContact O-N 2.96Å; D193-R196 PolarHBondContact O-N 3.25Å; D193-Y197 VanDerWaalsContact O-CD2 3.25Å; D193-Y197 WeakPolarHBondContact O-CD2 3.5Å |
| 194 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -49 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.2 | L100 L102 V157 F158 I161 F174 Q190 I191 R196 Y197 | L100-V194 HydrophobicContact CD2-CG1 3.52Å; L102-V194 HydrophobicContact CD1-CB 4.3Å; L102-V194 HydrophobicContact CD1-CG1 4.21Å; L102-V194 HydrophobicContact CD1-CG2 4.38Å; V157-V194 HydrophobicContact CG1-CG1 4.29Å; V157-V194 HydrophobicContact CG1-CG2 4.16Å; F158-V194 HydrophobicContact CB-CG2 3.84Å; F158-V194 HydrophobicContact CD2-CG2 4.35Å; F158-V194 HydrophobicContact CG-CG2 4.49Å; I161-V194 HydrophobicContact CD1-CG1 4.03Å; I161-V194 HydrophobicContact CD1-CG2 4.44Å; F174-V194 HydrophobicContact CE2-CG1 3.81Å; F174-V194 HydrophobicContact CZ-CG1 4.14Å; Q190-V194 WeakPolarHBondContact O-CG2 3.33Å; Q190-V194 PolarHBondContact O-N 3.33Å; I191-V194 PolarHBondContact O-N 2.75Å; V194-R196 VanDerWaalsContact C-N 3.28Å; V194-R196 PolarHBondContact O-N 2.94Å; V194-Y197 PolarHBondContact O-N 2.95Å; V194-Y197 VanDerWaalsContact O-N 3.1Å |
| 195 | Y | 95.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 26% | 0.259 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.7 | -39 | -177.1 | -178.3 | -99.5 | 0 | 0 | 0 | 112.5 | F174 I191 Y192 Y197 L198 V204 F222 | F174-Y195 AromaticContact CD1-CD2 3.87Å; F174-Y195 HydrophobicContact CD1-CD2 3.87Å; F174-Y195 HydrophobicContact CE1-CD2 4.04Å; I191-Y195 WeakPolarHBondContact O-CB 3.38Å; I191-Y195 PolarHBondContact O-N 2.9Å; Y192-Y195 PolarHBondContact O-N 3.13Å; Y195-Y197 PolarHBondContact O-N 3.45Å; Y195-Y197 VanDerWaalsContact O-N 3.16Å; Y195-L198 HydrophobicContact CD2-CD1 4.38Å; Y195-L198 WeakPolarHBondContact O-CB 3.45Å; Y195-L198 PolarHBondContact O-N 3.42Å; Y195-V204 HydrophobicContact CD2-CG2 4.45Å; Y195-V204 HydrophobicContact CE2-CG2 3.7Å; Y195-F222 AromaticContact CD1-CD1 3.51Å; Y195-F222 HydrophobicContact CD1-CD1 3.51Å; Y195-F222 AromaticContact CD1-CE1 3.81Å; Y195-F222 HydrophobicContact CD1-CE1 3.81Å; Y195-F222 HydrophobicContact CD1-CG 4.35Å; Y195-F222 HydrophobicContact CD2-CB 4.41Å; Y195-F222 HydrophobicContact CD2-CD1 4.4Å; Y195-F222 HydrophobicContact CD2-CG 4.48Å; Y195-F222 HydrophobicContact CE1-CB 4.35Å; Y195-F222 AromaticContact CE1-CD1 3.6Å; Y195-F222 HydrophobicContact CE1-CD1 3.6Å; Y195-F222 HydrophobicContact CE1-CE1 4.3Å; Y195-F222 HydrophobicContact CE1-CG 4.34Å; Y195-F222 HydrophobicContact CE2-CB 3.99Å; Y195-F222 HydrophobicContact CE2-CD1 4.46Å; Y195-F222 HydrophobicContact CE2-CG 4.47Å; Y195-F222 AromaticContact CG-CD1 3.94Å; Y195-F222 HydrophobicContact CG-CD1 3.94Å; Y195-F222 HydrophobicContact CG-CE1 4.19Å; Y195-F222 HydrophobicContact CG-CG 4.41Å; Y195-F222 PolarHBondContact OH-O 3.49Å; Y195-F222 VanDerWaalsContact OH-O 3.08Å |
| 196 | R | 94.7 | Very high | 94.6 | Very high | 197 Ų | 197 | 54.8 Ų | 54.8 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.4 | 179.7 | -73.3 | 175.8 | 72.5 | -169 | 3.8 | 114.7 | Y192 D193 V194 | Y192-R196 VanDerWaalsContact O-CG 3.27Å; Y192-R196 WeakPolarHBondContact O-CG 2.98Å; Y192-R196 PolarHBondContact O-N 2.71Å; D193-R196 PolarHBondContact O-N 3.25Å; V194-R196 VanDerWaalsContact C-N 3.28Å; V194-R196 PolarHBondContact O-N 2.94Å |
| 197 | Y | 96.6 | Very high | 94.7 | Very high | 118 Ų | 118 | 52.6 Ų | 52.6 | 46% | 0.463 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -0.2 | 175.7 | -77 | -92.4 | 0 | 0 | 0 | 113.2 | F158 I161 T168 D193 V194 Y195 | F158-Y197 HydrophobicContact CE2-CD2 4.15Å; F158-Y197 AromaticContact CE2-CE2 3.76Å; F158-Y197 HydrophobicContact CE2-CE2 3.76Å; I161-Y197 HydrophobicContact CG2-CD1 3.69Å; I161-Y197 HydrophobicContact CG2-CD2 4.1Å; I161-Y197 HydrophobicContact CG2-CE1 4.37Å; I161-Y197 HydrophobicContact CG2-CG 3.53Å; T168-Y197 WeakPolarHBondContact CB-O 3.14Å; T168-Y197 PolarHBondContact OG1-O 3.37Å; D193-Y197 VanDerWaalsContact O-CD2 3.25Å; D193-Y197 WeakPolarHBondContact O-CD2 3.5Å; V194-Y197 PolarHBondContact O-N 2.95Å; V194-Y197 VanDerWaalsContact O-N 3.1Å; Y195-Y197 PolarHBondContact O-N 3.45Å; Y195-Y197 VanDerWaalsContact O-N 3.16Å |
| 198 | L | 96.9 | Very high | 94.6 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 9% | 0.094 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -85.9 | 154.3 | 178.5 | -54.8 | -175.3 | 0 | 0 | 0 | 111.3 | L100 T168 V171 F174 Y195 T202 | L100-L198 HydrophobicContact CD2-CD2 4.08Å; T168-L198 HydrophobicContact CG2-CD2 3.85Å; V171-L198 HydrophobicContact CB-CD2 4.29Å; V171-L198 HydrophobicContact CG1-CD2 4.06Å; V171-L198 HydrophobicContact CG2-CD2 4.49Å; F174-L198 HydrophobicContact CB-CD1 3.7Å; F174-L198 HydrophobicContact CD1-CD1 4.11Å; F174-L198 HydrophobicContact CD2-CD1 3.63Å; F174-L198 HydrophobicContact CE2-CD1 4.2Å; F174-L198 HydrophobicContact CG-CD1 3.56Å; Y195-L198 HydrophobicContact CD2-CD1 4.38Å; Y195-L198 WeakPolarHBondContact O-CB 3.45Å; Y195-L198 PolarHBondContact O-N 3.42Å; L198-T202 HydrophobicContact CD1-CG2 4.14Å |
| 199 | P | 97.1 | Very high | 94.1 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 150.4 | 176.1 | -25.7 | 35.6 | 0 | 0 | 0 | 113.4 | T168 V171 G201 T202 | T168-P199 VanDerWaalsContact O-CD 3.23Å; T168-P199 WeakPolarHBondContact O-CD 3.49Å; T168-P199 VanDerWaalsContact O-CG 3.26Å; T168-P199 WeakPolarHBondContact O-CG 3.41Å; V171-P199 WeakPolarHBondContact O-CD 3.34Å; P199-G201 PolarHBondContact O-N 3.14Å; P199-T202 PolarHBondContact O-N 3.41Å; P199-T202 PolarHBondContact O-OG1 2.83Å |
| 200 | P | 94.4 | Very high | 93.5 | Very high | 136 Ų | 136 | 40.9 Ų | 40.9 | 88% | 0.883 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 138.1 | 166.7 | -21.1 | 32.8 | 0 | 0 | 0 | 110.8 | T202 | P200-T202 VanDerWaalsContact C-N 3.35Š|
| 201 | G | 93.6 | Very high | 93.1 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 87% | 0.866 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 8.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | P199 Q203 | P199-G201 PolarHBondContact O-N 3.14Å; G201-Q203 PolarHBondContact O-N 3.21Å |
| 202 | T | 97.2 | Very high | 92.4 | Very high | 10 Ų | 10 | 41.5 Ų | 41.5 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -57.4 | 123.2 | 167.5 | -64 | 0 | 0 | 0 | 0 | 110.2 | V171 F174 L198 P199 P200 | V171-T202 HydrophobicContact CG1-CG2 4.31Å; V171-T202 PolarHBondContact O-OG1 3.32Å; V171-T202 VanDerWaalsContact O-OG1 3.08Å; F174-T202 HydrophobicContact CB-CG2 3.67Å; L198-T202 HydrophobicContact CD1-CG2 4.14Å; P199-T202 PolarHBondContact O-N 3.41Å; P199-T202 PolarHBondContact O-OG1 2.83Å; P200-T202 VanDerWaalsContact C-N 3.35Å | ||
| 203 | Q | 98 | Very high | 91.8 | Very high | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.2 | 173.4 | -179.7 | -170.8 | 7.4 | 0 | 0 | 110 | I62 R66 D67 K172 L173 F174 G201 | I62-Q203 PolarHBondContact O-NE2 3.38Å; R66-Q203 PolarHBondContact O-NE2 2.78Å; D67-Q203 WeakPolarHBondContact OD1-CA 3.35Å; K172-Q203 WeakPolarHBondContact O-CB 3.28Å; K172-Q203 PolarHBondContact O-N 3.5Å; L173-Q203 HydrophobicContact CD1-CB 4.23Å; L173-Q203 HydrophobicContact CD1-CG 4.05Å; F174-Q203 PolarHBondContact N-O 3.04Å; G201-Q203 PolarHBondContact O-N 3.21Å |
| 204 | V | 97.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.8 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 110.6 | D67 V68 F174 Y195 F222 M223 | D67-V204 VanDerWaalsContact CA-O 3.23Å; D67-V204 WeakPolarHBondContact CA-O 3.31Å; D67-V204 PolarHBondContact OD1-N 2.88Å; V68-V204 PolarHBondContact N-O 2.93Å; V68-V204 VanDerWaalsContact N-O 3.12Å; F174-V204 HydrophobicContact CD1-CG1 4.39Å; F174-V204 HydrophobicContact CD1-CG2 4.35Å; F174-V204 CarbonylContact O-C 3.53Å; F174-V204 VanDerWaalsContact O-CA 3.32Å; F174-V204 WeakPolarHBondContact O-CA 3.49Å; Y195-V204 HydrophobicContact CD2-CG2 4.45Å; Y195-V204 HydrophobicContact CE2-CG2 3.7Å; V204-F222 HydrophobicContact CG2-CB 4.45Å; V204-F222 WeakPolarHBondContact CG2-O 3.28Å; V204-M223 HydrophobicContact CB-CE 4.2Å; V204-M223 HydrophobicContact CB-CG 4.01Å; V204-M223 HydrophobicContact CG1-CE 4.1Å; V204-M223 HydrophobicContact CG1-CG 3.91Å; V204-M223 HydrophobicContact CG1-SD 4.3Å; V204-M223 WeakPolarHBondContact O-CE 3.5Å |
| 205 | V | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 124.4 | 173 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | I62 V68 L173 F174 V175 L176 L207 | I62-V205 HydrophobicContact CD1-CG1 3.96Å; I62-V205 HydrophobicContact CD1-CG2 4.38Å; I62-V205 HydrophobicContact CG1-CG1 4.33Å; I62-V205 HydrophobicContact CG1-CG2 3.98Å; I62-V205 HydrophobicContact CG2-CG2 3.93Å; V68-V205 HydrophobicContact CB-CG1 4.37Å; V68-V205 HydrophobicContact CB-CG2 4.35Å; V68-V205 CarbonylContact O-C 3.53Å; V68-V205 WeakPolarHBondContact O-CA 3.1Å; L173-V205 HydrophobicContact CD1-CB 4.38Å; L173-V205 HydrophobicContact CD1-CG2 3.66Å; F174-V205 PolarHBondContact O-N 3.38Å; V175-V205 CarbonylContact C-O 3.56Å; V175-V205 VanDerWaalsContact CA-O 3.26Å; V175-V205 WeakPolarHBondContact CA-O 3.39Å; V175-V205 HydrophobicContact CG1-CB 4.34Å; V175-V205 HydrophobicContact CG1-CG1 4.37Å; V175-V205 HydrophobicContact CG2-CB 3.91Å; L176-V205 PolarHBondContact N-O 2.98Å; V205-L207 HydrophobicContact CG1-CD2 3.99Å; V205-L207 HydrophobicContact CG1-CG 4.19Å |
| 206 | L | 94.7 | Very high | 90.1 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.5 | 177.1 | -170.3 | 151.4 | 0 | 0 | 0 | 109.3 | V68 I69 A70 L176 A179 M211 I215 T219 M223 | V68-L206 PolarHBondContact O-N 3.11Å; I69-L206 HydrophobicContact CG2-CD2 4.43Å; A70-L206 PolarHBondContact N-O 3.07Å; L176-L206 HydrophobicContact CD1-CD1 4.4Å; A179-L206 HydrophobicContact CB-CD1 3.79Å; A179-L206 HydrophobicContact CB-CD2 3.86Å; A179-L206 HydrophobicContact CB-CG 3.61Å; L206-M211 HydrophobicContact CD2-CE 3.69Å; L206-M211 HydrophobicContact CD2-SD 3.97Å; L206-I215 HydrophobicContact CD1-CG2 3.87Å; L206-I215 HydrophobicContact CD2-CG2 3.87Å; L206-T219 HydrophobicContact CD1-CG2 3.79Å; L206-M223 HydrophobicContact CB-SD 4.47Å |
| 207 | L | 92.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.2 | 174.3 | -55.4 | -178.6 | 0 | 0 | 0 | 109.3 | A70 K78 L82 L176 E178 A179 V205 | A70-L207 HydrophobicContact CB-CD2 3.59Å; A70-L207 WeakPolarHBondContact O-CA 3.33Å; K78-L207 HydrophobicContact CB-CD1 4.47Å; L82-L207 HydrophobicContact CB-CD1 4.03Å; L176-L207 PolarHBondContact O-N 3.4Å; E178-L207 WeakPolarHBondContact CA-O 3.28Å; E178-L207 PolarHBondContact N-O 3.23Å; A179-L207 PolarHBondContact N-O 3.22Å; V205-L207 HydrophobicContact CG1-CD2 3.99Å; V205-L207 HydrophobicContact CG1-CG 4.19Å |
| 208 | S | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 162 | 174.6 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | A70 Q71 A72 D180 T210 | A70-S208 PolarHBondContact O-N 3.26Å; A70-S208 VanDerWaalsContact O-N 3.16Å; Q71-S208 VanDerWaalsContact CA-O 3.29Å; Q71-S208 WeakPolarHBondContact CA-O 3.39Å; A72-S208 PolarHBondContact N-O 3.32Å; D180-S208 WeakPolarHBondContact CB-OG 3.36Å; D180-S208 PolarHBondContact OD1-OG 2.92Å; D180-S208 PolarHBondContact OD2-OG 3.31Å; S208-T210 VanDerWaalsContact CB-O 3.29Å; S208-T210 WeakPolarHBondContact CB-O 3.49Å; S208-T210 PolarHBondContact OG-N 3.5Å; S208-T210 VanDerWaalsContact OG-N 3.15Å; S208-T210 PolarHBondContact OG-O 3.23Å |
| 209 | A | 80.7 | Confident | 88.4 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -84.2 | -29.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q71 A72 H353 | Q71-A209 WeakPolarHBondContact CG-O 3.41Å; Q71-A209 PolarHBondContact NE2-O 2.87Å; Q71-A209 VanDerWaalsContact NE2-O 3.11Å; A72-A209 WeakPolarHBondContact O-CA 3.35Å; A209-H353 WeakPolarHBondContact CB-CE1 3.33Å |
| 210 | T | 79.7 | Confident | 87.8 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | trans | -126.6 | 152.8 | -174.9 | 70.4 | 0 | 0 | 0 | 0 | 109.5 | D180 S208 P212 E349 | D180-T210 WeakPolarHBondContact CB-OG1 3.31Å; D180-T210 PolarHBondContact OD2-OG1 2.96Å; S208-T210 VanDerWaalsContact CB-O 3.29Å; S208-T210 WeakPolarHBondContact CB-O 3.49Å; S208-T210 PolarHBondContact OG-N 3.5Å; S208-T210 VanDerWaalsContact OG-N 3.15Å; S208-T210 PolarHBondContact OG-O 3.23Å; T210-P212 VanDerWaalsContact C-CD 3.43Å; T210-E349 HydrophobicContact CG2-CB 3.99Å; T210-E349 HydrophobicContact CG2-CG 3.7Å | ||
| 211 | M | 83.6 | Confident | 87.4 | Confident | 27 Ų | 27 | 30.3 Ų | 30.3 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | trans | -127.6 | 69 | 179.2 | -68.1 | -67.5 | -176.7 | 0 | 0 | 109.3 | I69 Q71 L206 I215 L230 | I69-M211 HydrophobicContact CG2-CE 3.28Å; I69-M211 HydrophobicContact CG2-SD 3.94Å; Q71-M211 HydrophobicContact CB-CE 3.88Å; Q71-M211 HydrophobicContact CB-CG 4.17Å; Q71-M211 HydrophobicContact CG-CG 4.13Å; L206-M211 HydrophobicContact CD2-CE 3.69Å; L206-M211 HydrophobicContact CD2-SD 3.97Å; M211-I215 HydrophobicContact SD-CG2 3.63Å; M211-L230 HydrophobicContact CE-CD2 4.34Å; M211-L230 HydrophobicContact CG-CD2 4.15Å | ||
| 212 | P | 79.4 | Confident | 87 | Confident | 50 Ų | 50 | 26.9 Ų | 26.9 | 33% | 0.325 | 14% | 0.14 | S | C | . | . | trans | -63.3 | 158.2 | 172.4 | 28.9 | -34.6 | 0 | 0 | 0 | 110 | D180 T210 E214 I215 L216 | D180-P212 HydrophobicContact CB-CG 4.48Å; T210-P212 VanDerWaalsContact C-CD 3.43Å; P212-E214 PolarHBondContact O-N 3.45Å; P212-E214 VanDerWaalsContact O-N 3.11Å; P212-I215 HydrophobicContact CG-CB 4.28Å; P212-I215 HydrophobicContact CG-CG1 3.76Å; P212-I215 WeakPolarHBondContact O-CB 3.12Å; P212-I215 PolarHBondContact O-N 3.43Å; P212-L216 PolarHBondContact O-N 3.25Å | ||
| 213 | H | 80.8 | Confident | 86.8 | Confident | 55 Ų | 55 | 27.1 Ų | 27.1 | 26% | 0.255 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -53.2 | -37.2 | -177.2 | -172.8 | -92.5 | 0 | 0 | 0 | 112.9 | L13 K14 I215 L216 E217 | L13-H213 PolarHBondContact O-NE2 3.31Å; K14-H213 WeakPolarHBondContact CA-NE2 3.29Å; K14-H213 PolarHBondContact N-NE2 3.23Å; H213-I215 VanDerWaalsContact C-N 3.28Å; H213-I215 PolarHBondContact O-N 2.85Å; H213-L216 WeakPolarHBondContact O-CB 3.47Å; H213-L216 PolarHBondContact O-N 2.98Å; H213-L216 VanDerWaalsContact O-N 3.13Å; H213-E217 VanDerWaalsContact CE1-CG 3.5Å; H213-E217 WeakPolarHBondContact CE1-CG 3.25Å; H213-E217 IonicContact CE1-OE1 3.69Å; H213-E217 PolarHBondContact CE1-OE1 3.29Å; H213-E217 IonicContact ND1-OE1 2.88Å; H213-E217 PolarHBondContact ND1-OE1 3.08Å; H213-E217 PolarHBondContact O-N 3.36Å |
| 214 | E | 82.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 32.4 Ų | 32.4 | 51% | 0.505 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.7 | -32.7 | 178.9 | -58.5 | -169.9 | -175.9 | 0 | 0 | 113.7 | L183 P212 M218 | L183-E214 HydrophobicContact CD1-CB 3.8Å; P212-E214 PolarHBondContact O-N 3.45Å; P212-E214 VanDerWaalsContact O-N 3.11Å; E214-M218 PolarHBondContact O-N 3.37Å |
| 215 | I | 85 | Confident | 86.2 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.6 | -44.2 | 173.9 | -71 | -69.5 | 0 | 0 | 0 | 110.1 | A179 D180 L183 L206 M211 P212 H213 E217 M218 T219 | A179-I215 HydrophobicContact CB-CD1 3.76Å; A179-I215 VanDerWaalsContact O-CD1 3.26Å; A179-I215 WeakPolarHBondContact O-CD1 3.45Å; D180-I215 HydrophobicContact CB-CD1 4.43Å; D180-I215 HydrophobicContact CB-CG1 4.19Å; D180-I215 VanDerWaalsContact N-CD1 3.31Å; L183-I215 HydrophobicContact CB-CD1 4.36Å; L183-I215 HydrophobicContact CD1-CB 4.5Å; L183-I215 HydrophobicContact CD1-CD1 3.29Å; L183-I215 HydrophobicContact CD1-CG1 3.72Å; L183-I215 HydrophobicContact CG-CD1 3.68Å; L206-I215 HydrophobicContact CD1-CG2 3.87Å; L206-I215 HydrophobicContact CD2-CG2 3.87Å; M211-I215 HydrophobicContact SD-CG2 3.63Å; P212-I215 HydrophobicContact CG-CB 4.28Å; P212-I215 HydrophobicContact CG-CG1 3.76Å; P212-I215 WeakPolarHBondContact O-CB 3.12Å; P212-I215 PolarHBondContact O-N 3.43Å; H213-I215 VanDerWaalsContact C-N 3.28Å; H213-I215 PolarHBondContact O-N 2.85Å; I215-E217 VanDerWaalsContact C-N 3.34Å; I215-E217 PolarHBondContact O-N 3.04Å; I215-M218 WeakPolarHBondContact O-CB 3.3Å; I215-M218 PolarHBondContact O-N 2.83Å; I215-M218 VanDerWaalsContact O-N 3.09Å; I215-T219 VanDerWaalsContact O-CG2 3.27Å; I215-T219 WeakPolarHBondContact O-CG2 3.49Å; I215-T219 PolarHBondContact O-N 2.98Å |
| 216 | L | 82.5 | Confident | 86.1 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 178.1 | -65 | 162.2 | 0 | 0 | 0 | 110.9 | F18 P212 H213 M218 T219 S220 | F18-L216 HydrophobicContact CB-CD2 4.43Å; F18-L216 HydrophobicContact CD1-CD2 3.81Å; F18-L216 HydrophobicContact CD2-CD1 3.42Å; F18-L216 VanDerWaalsContact CD2-CD1 3.42Å; F18-L216 HydrophobicContact CD2-CD2 4Å; F18-L216 HydrophobicContact CD2-CG 4.19Å; F18-L216 HydrophobicContact CE1-CB 4.45Å; F18-L216 HydrophobicContact CE1-CD2 3.99Å; F18-L216 HydrophobicContact CE2-CB 4.04Å; F18-L216 HydrophobicContact CE2-CD1 3.53Å; F18-L216 HydrophobicContact CE2-CD2 4.19Å; F18-L216 HydrophobicContact CE2-CG 4.12Å; F18-L216 HydrophobicContact CG-CD1 4.06Å; F18-L216 HydrophobicContact CG-CD2 3.8Å; F18-L216 HydrophobicContact CG-CG 4.49Å; F18-L216 HydrophobicContact CZ-CB 3.93Å; F18-L216 HydrophobicContact CZ-CD1 4.22Å; F18-L216 HydrophobicContact CZ-CD2 4.17Å; F18-L216 HydrophobicContact CZ-CG 4.32Å; P212-L216 PolarHBondContact O-N 3.25Å; H213-L216 WeakPolarHBondContact O-CB 3.47Å; H213-L216 PolarHBondContact O-N 2.98Å; H213-L216 VanDerWaalsContact O-N 3.13Å; L216-M218 VanDerWaalsContact C-N 3.32Å; L216-M218 PolarHBondContact O-N 3.43Å; L216-T219 PolarHBondContact O-N 3.31Å; L216-T219 PolarHBondContact O-OG1 3.02Å; L216-S220 PolarHBondContact O-N 3.44Å |
| 217 | E | 82.7 | Confident | 86 | Confident | 46 Ų | 46 | 38.6 Ų | 38.6 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 171.1 | -75.4 | -177.5 | -169.3 | 0 | 0 | 112.2 | H213 I215 T219 S220 | H213-E217 VanDerWaalsContact CE1-CG 3.5Å; H213-E217 WeakPolarHBondContact CE1-CG 3.25Å; H213-E217 IonicContact CE1-OE1 3.69Å; H213-E217 PolarHBondContact CE1-OE1 3.29Å; H213-E217 IonicContact ND1-OE1 2.88Å; H213-E217 PolarHBondContact ND1-OE1 3.08Å; H213-E217 PolarHBondContact O-N 3.36Å; I215-E217 VanDerWaalsContact C-N 3.34Å; I215-E217 PolarHBondContact O-N 3.04Å; E217-T219 VanDerWaalsContact C-N 3.28Å; E217-T219 PolarHBondContact O-N 3.22Å; E217-S220 PolarHBondContact O-N 3.35Å; E217-S220 PolarHBondContact O-OG 3.49Å |
| 218 | M | 84.6 | Confident | 86 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.7 | -41.7 | 176.8 | -173.5 | -166.1 | -66.7 | 0 | 0 | 111.3 | L176 L183 I191 E214 I215 L216 S220 K221 F222 | L176-M218 HydrophobicContact CD1-SD 3.78Å; L183-M218 HydrophobicContact CD1-CE 3.84Å; L183-M218 HydrophobicContact CD2-CE 3.09Å; L183-M218 HydrophobicContact CG-CE 3.47Å; L183-M218 VanDerWaalsContact CG-CE 3.47Å; I191-M218 HydrophobicContact CD1-CE 4.14Å; I191-M218 HydrophobicContact CG2-SD 4.33Å; E214-M218 PolarHBondContact O-N 3.37Å; I215-M218 WeakPolarHBondContact O-CB 3.3Å; I215-M218 PolarHBondContact O-N 2.83Å; I215-M218 VanDerWaalsContact O-N 3.09Å; L216-M218 VanDerWaalsContact C-N 3.32Å; L216-M218 PolarHBondContact O-N 3.43Å; M218-S220 PolarHBondContact O-N 2.71Å; M218-K221 PolarHBondContact O-N 3.17Å; M218-K221 VanDerWaalsContact O-N 3.1Å; M218-F222 HydrophobicContact CG-CD2 3.61Å; M218-F222 HydrophobicContact CG-CE2 3.31Å; M218-F222 HydrophobicContact CG-CZ 4.41Å; M218-F222 HydrophobicContact SD-CD2 4.2Å; M218-F222 HydrophobicContact SD-CE2 3.83Å |
| 219 | T | 85.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -35 | -179.3 | 70.8 | 0 | 0 | 0 | 0 | 112 | I69 L206 I215 L216 E217 K221 F222 M223 | I69-T219 HydrophobicContact CD1-CG2 3.45Å; I69-T219 VanDerWaalsContact CD1-CG2 3.45Å; I69-T219 HydrophobicContact CG1-CG2 3.88Å; L206-T219 HydrophobicContact CD1-CG2 3.79Å; I215-T219 VanDerWaalsContact O-CG2 3.27Å; I215-T219 WeakPolarHBondContact O-CG2 3.49Å; I215-T219 PolarHBondContact O-N 2.98Å; L216-T219 PolarHBondContact O-N 3.31Å; L216-T219 PolarHBondContact O-OG1 3.02Å; E217-T219 VanDerWaalsContact C-N 3.28Å; E217-T219 PolarHBondContact O-N 3.22Å; T219-K221 PolarHBondContact O-N 3.09Å; T219-K221 VanDerWaalsContact O-N 3.15Å; T219-F222 PolarHBondContact O-N 2.58Å; T219-M223 HydrophobicContact CG2-SD 3.75Å; T219-M223 VanDerWaalsContact O-CB 3.26Å; T219-M223 WeakPolarHBondContact O-CB 3.43Å; T219-M223 WeakPolarHBondContact O-CG 3.24Å; T219-M223 PolarHBondContact O-N 3.34Å |
| 220 | S | 84.1 | Confident | 86.4 | Confident | 76 Ų | 76 | 43.2 Ų | 43.2 | 53% | 0.531 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.4 | -20.4 | 178.8 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | L216 E217 M218 | L216-S220 PolarHBondContact O-N 3.44Å; E217-S220 PolarHBondContact O-N 3.35Å; E217-S220 PolarHBondContact O-OG 3.49Å; M218-S220 PolarHBondContact O-N 2.71Å |
| 221 | K | 84.8 | Confident | 86.3 | Confident | 124 Ų | 124 | 44.3 Ų | 44.3 | 54% | 0.539 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -96.9 | -21.1 | -176.9 | -54.7 | -154 | -150 | 154.6 | 0 | 114.7 | Y192 M218 T219 | Y192-K221 HydrophobicContact CE1-CB 4.36Å; Y192-K221 HydrophobicContact CE1-CD 4.02Å; Y192-K221 WeakPolarHBondContact OH-CD 3.43Å; Y192-K221 VanDerWaalsContact OH-CE 3.28Å; Y192-K221 WeakPolarHBondContact OH-CE 3.26Å; Y192-K221 PolarHBondContact OH-NZ 2.91Å; Y192-K221 VanDerWaalsContact OH-NZ 3.11Å; M218-K221 PolarHBondContact O-N 3.17Å; M218-K221 VanDerWaalsContact O-N 3.1Å; T219-K221 PolarHBondContact O-N 3.09Å; T219-K221 VanDerWaalsContact O-N 3.15Å |
| 222 | F | 86.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -120.6 | -14.2 | -173.4 | -51.4 | -43.9 | 0 | 0 | 0 | 113.8 | I191 Y192 Y195 V204 M218 T219 | I191-F222 HydrophobicContact CG2-CE2 4.13Å; Y192-F222 AromaticContact CD1-CE1 3.3Å; Y192-F222 HydrophobicContact CD1-CE1 3.3Å; Y192-F222 AromaticContact CD1-CZ 3.23Å; Y192-F222 HydrophobicContact CD1-CZ 3.23Å; Y192-F222 HydrophobicContact CD2-CE2 4.44Å; Y192-F222 AromaticContact CD2-CZ 3.66Å; Y192-F222 HydrophobicContact CD2-CZ 3.66Å; Y192-F222 HydrophobicContact CE1-CD1 4.37Å; Y192-F222 AromaticContact CE1-CE1 3.18Å; Y192-F222 HydrophobicContact CE1-CE1 3.18Å; Y192-F222 HydrophobicContact CE1-CE2 4.21Å; Y192-F222 AromaticContact CE1-CZ 3.1Å; Y192-F222 HydrophobicContact CE1-CZ 3.1Å; Y192-F222 HydrophobicContact CE2-CE1 4.44Å; Y192-F222 HydrophobicContact CE2-CE2 4.08Å; Y192-F222 AromaticContact CE2-CZ 3.51Å; Y192-F222 HydrophobicContact CE2-CZ 3.51Å; Y192-F222 HydrophobicContact CG-CE1 4.01Å; Y192-F222 AromaticContact CG-CZ 3.48Å; Y192-F222 HydrophobicContact CG-CZ 3.48Å; Y192-F222 VanDerWaalsContact CG-CZ 3.48Å; Y192-F222 AromaticContact CZ-CE1 3.78Å; Y192-F222 AromaticContact CZ-CE2 3.93Å; Y192-F222 AromaticContact CZ-CZ 3.22Å; Y195-F222 AromaticContact CD1-CD1 3.51Å; Y195-F222 HydrophobicContact CD1-CD1 3.51Å; Y195-F222 AromaticContact CD1-CE1 3.81Å; Y195-F222 HydrophobicContact CD1-CE1 3.81Å; Y195-F222 HydrophobicContact CD1-CG 4.35Å; Y195-F222 HydrophobicContact CD2-CB 4.41Å; Y195-F222 HydrophobicContact CD2-CD1 4.4Å; Y195-F222 HydrophobicContact CD2-CG 4.48Å; Y195-F222 HydrophobicContact CE1-CB 4.35Å; Y195-F222 AromaticContact CE1-CD1 3.6Å; Y195-F222 HydrophobicContact CE1-CD1 3.6Å; Y195-F222 HydrophobicContact CE1-CE1 4.3Å; Y195-F222 HydrophobicContact CE1-CG 4.34Å; Y195-F222 HydrophobicContact CE2-CB 3.99Å; Y195-F222 HydrophobicContact CE2-CD1 4.46Å; Y195-F222 HydrophobicContact CE2-CG 4.47Å; Y195-F222 AromaticContact CG-CD1 3.94Å; Y195-F222 HydrophobicContact CG-CD1 3.94Å; Y195-F222 HydrophobicContact CG-CE1 4.19Å; Y195-F222 HydrophobicContact CG-CG 4.41Å; Y195-F222 PolarHBondContact OH-O 3.49Å; Y195-F222 VanDerWaalsContact OH-O 3.08Å; V204-F222 HydrophobicContact CG2-CB 4.45Å; V204-F222 WeakPolarHBondContact CG2-O 3.28Å; M218-F222 HydrophobicContact CG-CD2 3.61Å; M218-F222 HydrophobicContact CG-CE2 3.31Å; M218-F222 HydrophobicContact CG-CZ 4.41Å; M218-F222 HydrophobicContact SD-CD2 4.2Å; M218-F222 HydrophobicContact SD-CE2 3.83Å; T219-F222 PolarHBondContact O-N 2.58Å |
| 223 | M | 92.7 | Very high | 84.9 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | trans | -115.7 | 142.8 | -173 | -48.2 | -175.3 | 81.3 | 0 | 0 | 111.2 | D67 V68 I69 V204 L206 T219 P226 | D67-M223 HydrophobicContact CB-CB 4.18Å; D67-M223 HydrophobicContact CB-CE 3.73Å; D67-M223 WeakPolarHBondContact OD2-CA 3.46Å; V68-M223 WeakPolarHBondContact O-CE 3.29Å; I69-M223 HydrophobicContact CD1-SD 3.98Å; I69-M223 HydrophobicContact CG1-CE 3.8Å; I69-M223 HydrophobicContact CG1-SD 3.6Å; I69-M223 VanDerWaalsContact CG1-SD 3.6Å; V204-M223 HydrophobicContact CB-CE 4.2Å; V204-M223 HydrophobicContact CB-CG 4.01Å; V204-M223 HydrophobicContact CG1-CE 4.1Å; V204-M223 HydrophobicContact CG1-CG 3.91Å; V204-M223 HydrophobicContact CG1-SD 4.3Å; V204-M223 WeakPolarHBondContact O-CE 3.5Å; L206-M223 HydrophobicContact CB-SD 4.47Å; T219-M223 HydrophobicContact CG2-SD 3.75Å; T219-M223 VanDerWaalsContact O-CB 3.26Å; T219-M223 WeakPolarHBondContact O-CB 3.43Å; T219-M223 WeakPolarHBondContact O-CG 3.24Å; T219-M223 PolarHBondContact O-N 3.34Å; M223-P226 HydrophobicContact CB-CB 4.18Å; M223-P226 HydrophobicContact CB-CG 4.19Å; M223-P226 HydrophobicContact CE-CB 3.89Å; M223-P226 HydrophobicContact SD-CB 4.24Å | ||
| 224 | T | 91 | Very high | 84.1 | Confident | 119 Ų | 119 | 56 Ų | 56 | 73% | 0.73 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -113.6 | 110.5 | 177.3 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | D67 | D67-T224 PolarHBondContact OD2-N 3.16Š|
| 225 | N | 91 | Very high | 83.2 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 63% | 0.631 | 28% | 0.279 | S | S | * | . | S | Bend | trans | 47.5 | 60 | -179.7 | -170.6 | 23 | 0 | 0 | 0 | 113.6 | R66 | R66-N225 PolarHBondContact NH2-O 3.47Š|
| 226 | P | 93.9 | Very high | 82.2 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | trans | -69.1 | 140.4 | -174.9 | 29.5 | -35.5 | 0 | 0 | 0 | 111.8 | D67 I69 M223 | D67-P226 HydrophobicContact CB-CB 4Å; D67-P226 CarbonylContact O-C 3.57Å; D67-P226 VanDerWaalsContact O-CA 3.3Å; D67-P226 WeakPolarHBondContact O-CA 3.36Å; I69-P226 HydrophobicContact CD1-CB 3.89Å; I69-P226 HydrophobicContact CD1-CG 3.7Å; I69-P226 HydrophobicContact CG1-CB 4.01Å; I69-P226 HydrophobicContact CG1-CG 4.38Å; M223-P226 HydrophobicContact CB-CB 4.18Å; M223-P226 HydrophobicContact CB-CG 4.19Å; M223-P226 HydrophobicContact CE-CB 3.89Å; M223-P226 HydrophobicContact SD-CB 4.24Å | ||
| 227 | V | 94.2 | Very high | 81.3 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.042 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128 | 165.1 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | I24 Q61 R66 D67 V68 I69 | I24-V227 HydrophobicContact CD1-CG1 3.63Å; I24-V227 HydrophobicContact CG1-CG1 4.07Å; Q61-V227 HydrophobicContact CB-CG1 4.46Å; Q61-V227 HydrophobicContact CG-CG1 4.1Å; R66-V227 HydrophobicContact CB-CG2 4.04Å; R66-V227 HydrophobicContact CG-CG2 4.35Å; D67-V227 PolarHBondContact O-N 3Å; V68-V227 CarbonylContact C-O 3.53Å; V68-V227 WeakPolarHBondContact CA-O 3.15Å; V68-V227 HydrophobicContact CG2-CB 4.46Å; I69-V227 PolarHBondContact N-O 2.71Å |
| 228 | R | 92 | Very high | 80.6 | Confident | 65 Ų | 65 | 56 Ų | 56 | 25% | 0.245 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.6 | -179.3 | -61.6 | -179.6 | -175.3 | 83.8 | -1.1 | 109.4 | T20 S21 I24 I69 L230 | T20-R228 CarbonylContact C-O 3.4Å; T20-R228 WeakPolarHBondContact CA-O 3.21Å; T20-R228 WeakPolarHBondContact CG2-O 2.99Å; S21-R228 PolarHBondContact N-O 3.28Å; S21-R228 PolarHBondContact OG-N 3.23Å; I24-R228 WeakPolarHBondContact CD1-O 3.38Å; I69-R228 HydrophobicContact CB-CG 4.39Å; I69-R228 HydrophobicContact CD1-CG 4.26Å; I69-R228 CarbonylContact O-C 3.18Å; I69-R228 WeakPolarHBondContact O-CA 3.19Å; R228-L230 HydrophobicContact CB-CD1 4.3Å; R228-L230 HydrophobicContact CB-CG 4.13Å |
| 229 | I | 90.5 | Very high | 80 | Confident | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.036 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 93.9 | 170.1 | -60.4 | 161.5 | 0 | 0 | 0 | 105.8 | I24 I54 R57 A58 V68 I69 A70 Q71 | I24-I229 HydrophobicContact CD1-CD1 4.4Å; I24-I229 HydrophobicContact CD1-CG1 3.48Å; I24-I229 VanDerWaalsContact CD1-CG1 3.48Å; I54-I229 HydrophobicContact CD1-CB 4.32Å; I54-I229 HydrophobicContact CD1-CG2 3.58Å; R57-I229 HydrophobicContact CB-CD1 3.97Å; R57-I229 HydrophobicContact CB-CG1 4.47Å; R57-I229 HydrophobicContact CB-CG2 4.36Å; A58-I229 VanDerWaalsContact CA-CD1 3.45Å; A58-I229 HydrophobicContact CB-CD1 3.61Å; V68-I229 HydrophobicContact CG1-CD1 4.34Å; I69-I229 PolarHBondContact O-N 3.38Å; A70-I229 WeakPolarHBondContact CA-O 3.43Å; A70-I229 HydrophobicContact CB-CB 4.4Å; Q71-I229 PolarHBondContact N-O 2.92Å |
| 230 | L | 86.3 | Confident | 79.7 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 34% | 0.336 | C | S | . | . | trans | -107.7 | 147.3 | -174.5 | -55.6 | 179.2 | 0 | 0 | 0 | 110.1 | F18 T20 I69 Q71 M211 R228 | F18-L230 HydrophobicContact CB-CD1 3.74Å; F18-L230 VanDerWaalsContact O-CD1 3.25Å; F18-L230 WeakPolarHBondContact O-CD1 3.48Å; T20-L230 WeakPolarHBondContact OG1-CA 3.37Å; T20-L230 PolarHBondContact OG1-N 3.05Å; T20-L230 PolarHBondContact OG1-O 3.31Å; I69-L230 HydrophobicContact CG2-CD2 4.18Å; Q71-L230 HydrophobicContact CB-CD2 3.99Å; M211-L230 HydrophobicContact CE-CD2 4.34Å; M211-L230 HydrophobicContact CG-CD2 4.15Å; R228-L230 HydrophobicContact CB-CD1 4.3Å; R228-L230 HydrophobicContact CB-CG 4.13Å | ||
| 231 | V | 77.2 | Confident | 79.9 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | trans | -108.6 | 131 | 175.4 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | Q71 E235 L236 | Q71-V231 WeakPolarHBondContact O-CG2 3.42Å; Q71-V231 PolarHBondContact OE1-O 3.27Å; V231-E235 HydrophobicContact CG1-CB 3.76Å; V231-E235 WeakPolarHBondContact CG1-O 3.49Å; V231-L236 HydrophobicContact CB-CD2 4.07Å; V231-L236 HydrophobicContact CG1-CD2 4Å; V231-L236 HydrophobicContact CG1-CG 4.47Å | ||
| 232 | K | 67.9 | Low | 80.2 | Confident | 139 Ų | 139 | 62.7 Ų | 62.7 | 60% | 0.604 | 31% | 0.31 | S | S | * | . | trans | -62.8 | 151.3 | 177.8 | -63.5 | -176.4 | 172.8 | -179.9 | 0 | 109.9 | D234 E235 L236 | K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 WeakPolarHBondContact CB-OD1 3.49Å; K232-D234 PolarHBondContact O-N 3.04Å; K232-E235 HydrophobicContact CB-CG 4.4Å; K232-E235 CarbonylContact O-C 3.58Å; K232-E235 WeakPolarHBondContact O-CA 3.5Å; K232-E235 PolarHBondContact O-N 2.89Å; K232-L236 PolarHBondContact O-N 3.24Å | ||
| 233 | R | 65.5 | Low | 80.5 | Confident | 151 Ų | 151 | 62.6 Ų | 62.6 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -63.8 | -38.3 | -171.1 | -66.7 | -177.1 | -177.1 | 175.5 | 1.7 | 113.2 | E235 L236 Y385 | R233-E235 PolarHBondContact O-N 3.21Å; R233-L236 HydrophobicContact CB-CD1 4.38Å; R233-L236 HydrophobicContact CG-CD1 4.4Å; R233-L236 VanDerWaalsContact O-CB 3.31Å; R233-L236 WeakPolarHBondContact O-CB 3.18Å; R233-L236 PolarHBondContact O-N 3.01Å; R233-L236 VanDerWaalsContact O-N 3.14Å; R233-Y385 PolarHBondContact NH1-OH 3.35Å |
| 234 | D | 64.5 | Low | 80.6 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -64 | -24.3 | 173.1 | 52.8 | -22.9 | 0 | 0 | 0 | 112.8 | K232 | K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 WeakPolarHBondContact CB-OD1 3.49Å; K232-D234 PolarHBondContact O-N 3.04Å |
| 235 | E | 65.1 | Low | 80.8 | Confident | 114 Ų | 114 | 57.7 Ų | 57.7 | 53% | 0.533 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -94.3 | 10.2 | 174.1 | -62.2 | 175.8 | -173.3 | 0 | 0 | 112.7 | Q73 V231 K232 R233 | Q73-E235 PolarHBondContact NE2-O 3.26Å; V231-E235 HydrophobicContact CG1-CB 3.76Å; V231-E235 WeakPolarHBondContact CG1-O 3.49Å; K232-E235 HydrophobicContact CB-CG 4.4Å; K232-E235 CarbonylContact O-C 3.58Å; K232-E235 WeakPolarHBondContact O-CA 3.5Å; K232-E235 PolarHBondContact O-N 2.89Å; R233-E235 PolarHBondContact O-N 3.21Å |
| 236 | L | 63.7 | Low | 81 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 6% | 0.058 | 25% | 0.254 | C | S | . | . | trans | -85.2 | -15.9 | 179.1 | -72.3 | 172.5 | 0 | 0 | 0 | 114.1 | Q73 V231 K232 R233 Y386 | Q73-L236 HydrophobicContact CG-CD2 4.41Å; Q73-L236 WeakPolarHBondContact CG-O 3.45Å; Q73-L236 PolarHBondContact NE2-O 3.36Å; V231-L236 HydrophobicContact CB-CD2 4.07Å; V231-L236 HydrophobicContact CG1-CD2 4Å; V231-L236 HydrophobicContact CG1-CG 4.47Å; K232-L236 PolarHBondContact O-N 3.24Å; R233-L236 HydrophobicContact CB-CD1 4.38Å; R233-L236 HydrophobicContact CG-CD1 4.4Å; R233-L236 VanDerWaalsContact O-CB 3.31Å; R233-L236 WeakPolarHBondContact O-CB 3.18Å; R233-L236 PolarHBondContact O-N 3.01Å; R233-L236 VanDerWaalsContact O-N 3.14Å; L236-Y386 HydrophobicContact CD1-CE1 4.47Å | ||
| 237 | T | 63.7 | Low | 81 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -76.8 | 140.8 | 177 | 52.8 | 0 | 0 | 0 | 0 | 111 | Q73 E239 I352 Y386 T388 | Q73-T237 PolarHBondContact NE2-O 3.46Å; T237-E239 PolarHBondContact O-N 3.22Å; T237-I352 HydrophobicContact CG2-CD1 4.12Å; T237-Y386 HydrophobicContact CG2-CG 4.48Å; T237-T388 HydrophobicContact CG2-CG2 4.35Å |
| 238 | L | 68.1 | Low | 80.9 | Confident | 23 Ų | 23 | 55.1 Ų | 55.1 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | trans | -79.9 | 102.2 | 176.2 | -71.5 | 157.7 | 0 | 0 | 0 | 108.1 | Q73 G240 I241 G356 | Q73-L238 HydrophobicContact CB-CD2 4.3Å; L238-G240 PolarHBondContact O-N 3.15Å; L238-I241 HydrophobicContact CB-CB 4.38Å; L238-I241 HydrophobicContact CB-CD1 3.71Å; L238-I241 HydrophobicContact CB-CG1 3.77Å; L238-I241 HydrophobicContact CD1-CD1 3.48Å; L238-I241 VanDerWaalsContact CD1-CD1 3.48Å; L238-I241 HydrophobicContact CD1-CG1 4.41Å; L238-I241 HydrophobicContact CG-CD1 4.21Å; L238-I241 PolarHBondContact O-N 3.37Å; L238-G356 VanDerWaalsContact CD1-CA 3.41Å | ||
| 239 | E | 71.5 | Confident | 80.8 | Confident | 200 Ų | 200 | 58.6 Ų | 58.6 | 94% | 0.935 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -24.2 | 179.1 | -67.6 | -178.2 | 169.2 | 0 | 0 | 113.4 | T237 I241 | T237-E239 PolarHBondContact O-N 3.22Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 3.11Å |
| 240 | G | 80.1 | Confident | 80.9 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L238 K364 G365 | L238-G240 PolarHBondContact O-N 3.15Å; G240-K364 CarbonylContact O-C 3.57Å; G240-K364 VanDerWaalsContact O-CA 3.32Å; G240-K364 WeakPolarHBondContact O-CA 3.26Å; G240-G365 PolarHBondContact O-N 3.48Å |
| 241 | I | 87.3 | Confident | 81.3 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 110.3 | -176.8 | -55.9 | -176.5 | 0 | 0 | 0 | 110.4 | L238 E239 Q243 I355 G365 A367 | L238-I241 HydrophobicContact CB-CB 4.38Å; L238-I241 HydrophobicContact CB-CD1 3.71Å; L238-I241 HydrophobicContact CB-CG1 3.77Å; L238-I241 HydrophobicContact CD1-CD1 3.48Å; L238-I241 VanDerWaalsContact CD1-CD1 3.48Å; L238-I241 HydrophobicContact CD1-CG1 4.41Å; L238-I241 HydrophobicContact CG-CD1 4.21Å; L238-I241 PolarHBondContact O-N 3.37Å; E239-I241 VanDerWaalsContact C-N 3.33Å; E239-I241 PolarHBondContact O-N 3.11Å; I241-Q243 HydrophobicContact CG2-CG 4.17Å; I241-I355 HydrophobicContact CD1-CG1 4.44Å; I241-I355 VanDerWaalsContact CD1-O 3.26Å; I241-I355 WeakPolarHBondContact CD1-O 3.42Å; I241-G365 CarbonylContact C-O 3.58Å; I241-G365 WeakPolarHBondContact CA-O 3.49Å; I241-A367 HydrophobicContact CG2-CB 4Å |
| 242 | K | 90.7 | Very high | 82 | Confident | 113 Ų | 113 | 71 Ų | 71 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131.8 | 168 | -66.4 | -173.7 | 178 | -179.3 | 0 | 109.4 | F244 G365 V366 A367 L400 | K242-F244 HydrophobicContact CB-CE2 3.63Å; K242-F244 HydrophobicContact CB-CZ 3.95Å; K242-F244 HydrophobicContact CD-CE2 4.37Å; K242-F244 HydrophobicContact CD-CZ 4.17Å; K242-G365 PolarHBondContact N-O 2.74Å; K242-V366 CarbonylContact O-C 3.57Å; K242-V366 WeakPolarHBondContact O-CA 3.35Å; K242-A367 PolarHBondContact O-N 3.41Å; K242-L400 HydrophobicContact CD-CD2 4.42Å |
| 243 | Q | 93.8 | Very high | 83.3 | Confident | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.2 | -174.4 | -64.5 | 167 | 72.4 | 0 | 0 | 109.2 | I241 Y351 I355 A367 T388 I390 D391 | I241-Q243 HydrophobicContact CG2-CG 4.17Å; Q243-Y351 PolarHBondContact OE1-OH 3.49Å; Q243-I355 HydrophobicContact CG-CD1 4.23Å; Q243-A367 WeakPolarHBondContact CA-O 3.15Å; Q243-A367 HydrophobicContact CG-CB 4.27Å; Q243-T388 PolarHBondContact NE2-OG1 3.48Å; Q243-I390 HydrophobicContact CB-CB 4.43Å; Q243-I390 HydrophobicContact CB-CG1 4.1Å; Q243-I390 HydrophobicContact CB-CG2 4.21Å; Q243-I390 WeakPolarHBondContact O-CA 3.27Å; Q243-D391 PolarHBondContact O-N 3.03Å |
| 244 | F | 94.7 | Very high | 84.8 | Confident | 15 Ų | 15 | 62 Ų | 62 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 159.3 | -179.9 | -58.6 | -73.9 | 0 | 0 | 0 | 111.2 | K242 V366 A367 I368 N369 D391 M393 P394 L400 | K242-F244 HydrophobicContact CB-CE2 3.63Å; K242-F244 HydrophobicContact CB-CZ 3.95Å; K242-F244 HydrophobicContact CD-CE2 4.37Å; K242-F244 HydrophobicContact CD-CZ 4.17Å; F244-V366 HydrophobicContact CD2-CG1 3.83Å; F244-V366 HydrophobicContact CE2-CG1 4Å; F244-A367 PolarHBondContact N-O 3.17Å; F244-I368 WeakPolarHBondContact O-CA 3.43Å; F244-N369 WeakPolarHBondContact O-CB 3.27Å; F244-N369 PolarHBondContact O-N 3.42Å; F244-N369 PolarHBondContact O-ND2 3.29Å; F244-D391 CarbonylContact C-O 3.49Å; F244-D391 WeakPolarHBondContact CA-O 3.43Å; F244-D391 HydrophobicContact CD1-CB 3.94Å; F244-D391 HydrophobicContact CE1-CB 4.12Å; F244-M393 HydrophobicContact CB-CB 4.1Å; F244-M393 HydrophobicContact CB-CG 4.33Å; F244-P394 HydrophobicContact CE1-CG 4.42Å; F244-L400 HydrophobicContact CD2-CD1 4.11Å; F244-L400 HydrophobicContact CE1-CD2 4.47Å; F244-L400 HydrophobicContact CE2-CD1 3.68Å; F244-L400 HydrophobicContact CE2-CD2 3.72Å; F244-L400 HydrophobicContact CE2-CG 4.22Å; F244-L400 HydrophobicContact CZ-CD1 4.02Å; F244-L400 HydrophobicContact CZ-CD2 3.48Å; F244-L400 VanDerWaalsContact CZ-CD2 3.48Å; F244-L400 HydrophobicContact CZ-CG 4.38Å |
| 245 | F | 95.6 | Very high | 86.3 | Confident | 17 Ų | 17 | 58.1 Ų | 58.1 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 151.4 | 164 | 74.1 | -89.7 | 0 | 0 | 0 | 111.5 | A247 N369 V371 L379 I390 D391 E392 M393 | F245-A247 HydrophobicContact CD2-CB 4.43Å; F245-A247 HydrophobicContact CE2-CB 4.24Å; F245-N369 CarbonylContact C-O 3.56Å; F245-N369 WeakPolarHBondContact CA-O 3.3Å; F245-N369 HydrophobicContact CB-CB 4.11Å; F245-V371 HydrophobicContact CB-CG1 4.35Å; F245-V371 HydrophobicContact CB-CG2 4.08Å; F245-V371 HydrophobicContact CD2-CG2 3.61Å; F245-V371 HydrophobicContact CE2-CG2 4.49Å; F245-V371 HydrophobicContact CG-CG2 4.19Å; F245-L379 HydrophobicContact CB-CD2 3.54Å; F245-L379 HydrophobicContact CD1-CD2 3.76Å; F245-L379 HydrophobicContact CD2-CD2 4.48Å; F245-L379 HydrophobicContact CG-CD2 3.67Å; F245-I390 HydrophobicContact CB-CG2 4.31Å; F245-I390 HydrophobicContact CD1-CG2 4.15Å; F245-D391 VanDerWaalsContact CD1-O 3.25Å; F245-D391 WeakPolarHBondContact CD1-O 3.04Å; F245-D391 PolarHBondContact N-O 3.22Å; F245-E392 HydrophobicContact CE1-CB 3.94Å; F245-E392 HydrophobicContact CE2-CB 4.26Å; F245-E392 HydrophobicContact CE2-CG 4.12Å; F245-E392 HydrophobicContact CZ-CB 3.68Å; F245-E392 HydrophobicContact CZ-CG 4.03Å; F245-M393 PolarHBondContact O-N 2.91Å |
| 246 | V | 94.5 | Very high | 87.7 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 114.9 | 167.9 | -174.1 | 0 | 0 | 0 | 0 | 107.2 | V248 T257 I368 N369 F370 V371 M393 | V246-V248 HydrophobicContact CG1-CG1 4.26Å; V246-V248 PolarHBondContact O-N 3.22Å; V246-T257 HydrophobicContact CB-CG2 4.35Å; V246-T257 HydrophobicContact CG1-CG2 3.9Å; V246-T257 HydrophobicContact CG2-CG2 4.32Å; V246-I368 HydrophobicContact CG2-CG2 3.89Å; V246-N369 PolarHBondContact N-O 2.84Å; V246-F370 HydrophobicContact CB-CD1 4.06Å; V246-F370 HydrophobicContact CB-CE1 4.34Å; V246-F370 HydrophobicContact CG2-CD1 4.31Å; V246-F370 HydrophobicContact CG2-CE1 4.21Å; V246-V371 PolarHBondContact O-N 3.4Å; V246-M393 HydrophobicContact CG2-CB 3.86Å; V246-M393 HydrophobicContact CG2-CE 3.57Å; V246-M393 HydrophobicContact CG2-CG 4.39Å; V246-M393 HydrophobicContact CG2-SD 3.62Å |
| 247 | A | 93.1 | Very high | 89.1 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 45% | 0.446 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | F245 V371 | F245-A247 HydrophobicContact CD2-CB 4.43Å; F245-A247 HydrophobicContact CE2-CB 4.24Å; A247-V371 WeakPolarHBondContact CA-O 3.47Å; A247-V371 HydrophobicContact CB-CG2 4.45Å |
| 248 | V | 92.8 | Very high | 90.6 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 130.3 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 109.5 | V246 R250 W253 K254 V371 K372 | V246-V248 HydrophobicContact CG1-CG1 4.26Å; V246-V248 PolarHBondContact O-N 3.22Å; V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.37Å; V248-W253 HydrophobicContact CB-CB 4.32Å; V248-W253 HydrophobicContact CG1-CB 4.44Å; V248-K254 HydrophobicContact CG2-CD 4.43Å; V248-K254 HydrophobicContact CG2-CG 3.65Å; V248-V371 WeakPolarHBondContact CG2-O 3.37Å; V248-V371 PolarHBondContact N-O 2.95Å; V248-K372 HydrophobicContact CG2-CG 4.08Å; V248-K372 WeakPolarHBondContact O-CA 3.5Å |
| 249 | E | 90.6 | Very high | 91.8 | Very high | 137 Ų | 137 | 56.5 Ų | 56.5 | 64% | 0.64 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -71.6 | -32.2 | -179.8 | -60.4 | -178.8 | 176.6 | 0 | 0 | 111.9 | W253 | E249-W253 HydrophobicContact CB-CE3 3.95Å; E249-W253 HydrophobicContact CB-CH2 4.01Å; E249-W253 HydrophobicContact CB-CZ3 3.48Å; E249-W253 VanDerWaalsContact CB-CZ3 3.48Å; E249-W253 HydrophobicContact CG-CE3 4.37Å; E249-W253 HydrophobicContact CG-CH2 4.22Å; E249-W253 HydrophobicContact CG-CZ3 3.59Å; E249-W253 WeakPolarHBondContact OE2-CH2 3.41Å |
| 250 | R | 92.2 | Very high | 92.8 | Very high | 146 Ų | 146 | 53.3 Ų | 53.3 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -125.3 | 146.6 | -175.3 | -59.8 | -174.1 | -177 | -169.5 | 1.4 | 111.4 | V248 E252 W253 | V248-R250 VanDerWaalsContact C-N 3.32Å; V248-R250 PolarHBondContact O-N 3.37Å; R250-E252 PolarHBondContact O-N 3.26Å; R250-W253 HydrophobicContact CB-CD2 4.11Å; R250-W253 HydrophobicContact CB-CG 4.11Å; R250-W253 HydrophobicContact CG-CD2 4.45Å; R250-W253 HydrophobicContact CG-CZ2 4.4Å; R250-W253 PolarHBondContact O-N 2.85Å; R250-W253 VanDerWaalsContact O-N 3.17Å |
| 251 | E | 93.7 | Very high | 93.3 | Very high | 56 Ų | 56 | 52.2 Ų | 52.2 | 26% | 0.262 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -37.7 | 176.1 | -174 | 62.4 | -140.5 | 0 | 0 | 112.4 | W253 K254 K279 K372 | E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.99Å; E251-K254 WeakPolarHBondContact O-CB 3.15Å; E251-K254 PolarHBondContact O-N 2.68Å; E251-K279 IonicContact OE1-NZ 2.58Å; E251-K279 PolarHBondContact OE1-NZ 3.33Å; E251-K372 HydrophobicContact CB-CD 4.34Å; E251-K372 WeakPolarHBondContact OE2-CD 3.44Å; E251-K372 WeakPolarHBondContact OE2-CE 3.32Å; E251-K372 IonicContact OE2-NZ 2.84Å; E251-K372 PolarHBondContact OE2-NZ 3.48Å |
| 252 | E | 93 | Very high | 93.5 | Very high | 132 Ų | 132 | 52.7 Ų | 52.7 | 62% | 0.617 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -34.1 | -178.4 | -65.7 | 160.8 | -146.8 | 0 | 0 | 112.3 | R250 K254 F255 | R250-E252 PolarHBondContact O-N 3.26Å; E252-K254 PolarHBondContact O-N 3.3Å; E252-F255 WeakPolarHBondContact O-CB 3.2Å; E252-F255 PolarHBondContact O-N 3.41Å; E252-F255 VanDerWaalsContact O-N 3.11Å |
| 253 | W | 94.7 | Very high | 93.3 | Very high | 97 Ų | 97 | 53.4 Ų | 53.4 | 37% | 0.367 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.8 | -20.1 | -178.1 | -62.8 | -8.1 | 0 | 0 | 0 | 113 | V248 E249 R250 E251 F255 D256 T257 | V248-W253 HydrophobicContact CB-CB 4.32Å; V248-W253 HydrophobicContact CG1-CB 4.44Å; E249-W253 HydrophobicContact CB-CE3 3.95Å; E249-W253 HydrophobicContact CB-CH2 4.01Å; E249-W253 HydrophobicContact CB-CZ3 3.48Å; E249-W253 VanDerWaalsContact CB-CZ3 3.48Å; E249-W253 HydrophobicContact CG-CE3 4.37Å; E249-W253 HydrophobicContact CG-CH2 4.22Å; E249-W253 HydrophobicContact CG-CZ3 3.59Å; E249-W253 WeakPolarHBondContact OE2-CH2 3.41Å; R250-W253 HydrophobicContact CB-CD2 4.11Å; R250-W253 HydrophobicContact CB-CG 4.11Å; R250-W253 HydrophobicContact CG-CD2 4.45Å; R250-W253 HydrophobicContact CG-CZ2 4.4Å; R250-W253 PolarHBondContact O-N 2.85Å; R250-W253 VanDerWaalsContact O-N 3.17Å; E251-W253 VanDerWaalsContact C-N 3.28Å; E251-W253 PolarHBondContact O-N 2.99Å; W253-F255 PolarHBondContact O-N 3.49Å; W253-D256 PolarHBondContact O-N 2.95Å; W253-T257 PolarHBondContact O-N 3.25Å; W253-T257 PolarHBondContact O-OG1 2.85Å; W253-T257 VanDerWaalsContact O-OG1 3.06Å |
| 254 | K | 96.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.2 | -35.5 | 170.2 | -68.7 | -169.1 | 175.2 | -173.1 | 0 | 112 | V248 E251 E252 L258 Y342 D343 F370 | V248-K254 HydrophobicContact CG2-CD 4.43Å; V248-K254 HydrophobicContact CG2-CG 3.65Å; E251-K254 WeakPolarHBondContact O-CB 3.15Å; E251-K254 PolarHBondContact O-N 2.68Å; E252-K254 PolarHBondContact O-N 3.3Å; K254-L258 WeakPolarHBondContact O-CB 3.43Å; K254-L258 PolarHBondContact O-N 3.48Å; K254-Y342 HydrophobicContact CB-CE1 3.88Å; K254-Y342 HydrophobicContact CB-CE2 3.78Å; K254-Y342 VanDerWaalsContact CB-CZ 3.42Å; K254-Y342 WeakPolarHBondContact CB-OH 3.45Å; K254-Y342 HydrophobicContact CD-CD1 4.13Å; K254-Y342 HydrophobicContact CD-CE1 3.89Å; K254-Y342 WeakPolarHBondContact CD-O 3.48Å; K254-Y342 WeakPolarHBondContact CE-O 3.36Å; K254-Y342 PolarHBondContact NZ-O 2.95Å; K254-D343 IonicContact NZ-OD1 2.82Å; K254-F370 HydrophobicContact CB-CD2 3.78Å; K254-F370 HydrophobicContact CB-CE2 4.32Å; K254-F370 HydrophobicContact CD-CB 3.84Å; K254-F370 HydrophobicContact CD-CD2 4.21Å; K254-F370 HydrophobicContact CG-CB 3.99Å; K254-F370 HydrophobicContact CG-CD2 3.97Å; K254-F370 HydrophobicContact CG-CG 4.35Å; K254-F370 PolarHBondContact NZ-O 3.46Å; K254-F370 WeakPolarHBondContact O-CE2 3.2Å |
| 255 | F | 96.9 | Very high | 92 | Very high | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 178.1 | 179.9 | -101.2 | 0 | 0 | 0 | 111.2 | E252 W253 T257 L258 C259 L283 K286 M287 N290 Y342 | E252-F255 WeakPolarHBondContact O-CB 3.2Å; E252-F255 PolarHBondContact O-N 3.41Å; E252-F255 VanDerWaalsContact O-N 3.11Å; W253-F255 PolarHBondContact O-N 3.49Å; F255-T257 PolarHBondContact O-N 3.26Å; F255-L258 WeakPolarHBondContact O-CB 3.48Å; F255-L258 PolarHBondContact O-N 3.37Å; F255-L258 VanDerWaalsContact O-N 3.1Å; F255-C259 VanDerWaalsContact CE1-SG 3.53Å; F255-C259 WeakPolarHBondContact CZ-SG 3.36Å; F255-C259 PolarHBondContact O-N 2.91Å; F255-C259 PolarHBondContact O-SG 3.24Å; F255-L283 HydrophobicContact CD2-CD1 3.93Å; F255-L283 HydrophobicContact CE2-CD1 4.44Å; F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 VanDerWaalsContact CD1-NZ 3.28Å; F255-K286 HydrophobicContact CD2-CB 4.42Å; F255-K286 HydrophobicContact CD2-CD 3.55Å; F255-K286 HydrophobicContact CD2-CG 3.99Å; F255-K286 HydrophobicContact CE1-CD 4.12Å; F255-K286 HydrophobicContact CE1-CG 4.17Å; F255-K286 HydrophobicContact CE2-CB 3.88Å; F255-K286 HydrophobicContact CE2-CD 3.65Å; F255-K286 HydrophobicContact CE2-CG 3.52Å; F255-K286 HydrophobicContact CG-CD 3.76Å; F255-K286 HydrophobicContact CG-CG 4.5Å; F255-K286 VanDerWaalsContact CG-NZ 3.26Å; F255-K286 HydrophobicContact CZ-CB 4.36Å; F255-K286 HydrophobicContact CZ-CD 3.94Å; F255-K286 HydrophobicContact CZ-CG 3.62Å; F255-M287 HydrophobicContact CD2-SD 4.39Å; F255-M287 HydrophobicContact CE2-CG 4.19Å; F255-M287 HydrophobicContact CE2-SD 3.67Å; F255-M287 HydrophobicContact CZ-SD 4.37Å; F255-N290 HydrophobicContact CZ-CB 4.34Å; F255-N290 WeakPolarHBondContact CZ-ND2 3.48Å; F255-Y342 PolarHBondContact N-OH 3.23Å |
| 256 | D | 94.2 | Very high | 91.1 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | -179.8 | -54.5 | -31 | 0 | 0 | 0 | 110.2 | W253 L258 C259 D260 | W253-D256 PolarHBondContact O-N 2.95Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 2.88Å; D256-C259 WeakPolarHBondContact O-CB 3.45Å; D256-C259 PolarHBondContact O-N 2.98Å; D256-C259 VanDerWaalsContact O-N 3.12Å; D256-D260 PolarHBondContact O-N 2.98Å |
| 257 | T | 93.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 14% | 0.141 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 172.7 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | V246 W253 F255 C259 D260 L261 F370 | V246-T257 HydrophobicContact CB-CG2 4.35Å; V246-T257 HydrophobicContact CG1-CG2 3.9Å; V246-T257 HydrophobicContact CG2-CG2 4.32Å; W253-T257 PolarHBondContact O-N 3.25Å; W253-T257 PolarHBondContact O-OG1 2.85Å; W253-T257 VanDerWaalsContact O-OG1 3.06Å; F255-T257 PolarHBondContact O-N 3.26Å; T257-C259 VanDerWaalsContact C-N 3.33Å; T257-D260 PolarHBondContact O-N 2.85Å; T257-L261 HydrophobicContact CG2-CD1 4.12Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.48Å; T257-L261 PolarHBondContact O-N 3.49Å; T257-L261 VanDerWaalsContact O-N 3.08Å; T257-F370 HydrophobicContact CG2-CD1 4.39Å; T257-F370 HydrophobicContact CG2-CE1 3.54Å; T257-F370 HydrophobicContact CG2-CE2 4.48Å; T257-F370 HydrophobicContact CG2-CZ 3.59Å |
| 258 | L | 95.5 | Very high | 90 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.9 | -176.6 | 63.9 | 0 | 0 | 0 | 111.8 | K254 F255 D256 L261 Y262 L265 I272 L283 M287 I340 Y342 F370 | K254-L258 WeakPolarHBondContact O-CB 3.43Å; K254-L258 PolarHBondContact O-N 3.48Å; F255-L258 WeakPolarHBondContact O-CB 3.48Å; F255-L258 PolarHBondContact O-N 3.37Å; F255-L258 VanDerWaalsContact O-N 3.1Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 2.88Å; L258-L261 PolarHBondContact O-N 3.11Å; L258-Y262 PolarHBondContact O-N 3.38Å; L258-L265 HydrophobicContact CD1-CD1 3.74Å; L258-I272 HydrophobicContact CD1-CD1 3.8Å; L258-I272 HydrophobicContact CD1-CG1 4.43Å; L258-I272 HydrophobicContact CD2-CD1 4.14Å; L258-L283 HydrophobicContact CD2-CD1 3.86Å; L258-L283 HydrophobicContact CD2-CD2 4.05Å; L258-L283 HydrophobicContact CD2-CG 4.29Å; L258-M287 HydrophobicContact CD2-CE 4.13Å; L258-M287 HydrophobicContact CD2-CG 4.4Å; L258-M287 HydrophobicContact CD2-SD 3.74Å; L258-M287 HydrophobicContact CG-CE 4.27Å; L258-M287 HydrophobicContact CG-SD 4.24Å; L258-I340 HydrophobicContact CD1-CD1 3.49Å; L258-I340 VanDerWaalsContact CD1-CD1 3.49Å; L258-Y342 HydrophobicContact CB-CE2 4.35Å; L258-Y342 HydrophobicContact CD2-CD2 4.1Å; L258-Y342 HydrophobicContact CD2-CE2 4.01Å; L258-F370 HydrophobicContact CB-CE2 4.02Å; L258-F370 HydrophobicContact CB-CZ 4.32Å |
| 259 | C | 93.8 | Very high | 89.9 | Confident | 27 Ų | 27 | 57.8 Ų | 57.8 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.6 | -67.6 | 0 | 0 | 0 | 0 | 111.2 | F255 D256 T257 L261 Y262 F292 | F255-C259 VanDerWaalsContact CE1-SG 3.53Å; F255-C259 WeakPolarHBondContact CZ-SG 3.36Å; F255-C259 PolarHBondContact O-N 2.91Å; F255-C259 PolarHBondContact O-SG 3.24Å; D256-C259 WeakPolarHBondContact O-CB 3.45Å; D256-C259 PolarHBondContact O-N 2.98Å; D256-C259 VanDerWaalsContact O-N 3.12Å; T257-C259 VanDerWaalsContact C-N 3.33Å; C259-L261 VanDerWaalsContact C-N 3.26Å; C259-L261 PolarHBondContact O-N 3.13Å; C259-Y262 WeakPolarHBondContact O-CB 3.35Å; C259-Y262 PolarHBondContact O-N 2.93Å; C259-Y262 VanDerWaalsContact O-N 3.09Å; C259-F292 HydrophobicContact CB-CE2 3.98Å; C259-F292 HydrophobicContact CB-CZ 3.96Å; C259-F292 WeakPolarHBondContact SG-CE2 3.33Å |
| 260 | D | 91.2 | Very high | 90.1 | Very high | 133 Ų | 133 | 51.2 Ų | 51.2 | 71% | 0.711 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.3 | -34 | 176.9 | -65.8 | -22.2 | 0 | 0 | 0 | 112.3 | D256 T257 Y262 | D256-D260 PolarHBondContact O-N 2.98Å; T257-D260 PolarHBondContact O-N 2.85Å; D260-Y262 VanDerWaalsContact C-N 3.31Å |
| 261 | L | 91.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.2 | 177.4 | -69 | 175.2 | 0 | 0 | 0 | 113.7 | T257 L258 C259 D263 T264 L265 I340 I368 F370 M393 V397 | T257-L261 HydrophobicContact CG2-CD1 4.12Å; T257-L261 VanDerWaalsContact O-CG 3.29Å; T257-L261 WeakPolarHBondContact O-CG 3.48Å; T257-L261 PolarHBondContact O-N 3.49Å; T257-L261 VanDerWaalsContact O-N 3.08Å; L258-L261 PolarHBondContact O-N 3.11Å; C259-L261 VanDerWaalsContact C-N 3.26Å; C259-L261 PolarHBondContact O-N 3.13Å; L261-D263 PolarHBondContact O-N 3.26Å; L261-T264 WeakPolarHBondContact O-CB 3.32Å; L261-T264 PolarHBondContact O-N 3.46Å; L261-T264 VanDerWaalsContact O-N 3.1Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.15Å; L261-I340 HydrophobicContact CD1-CD1 4.33Å; L261-I368 HydrophobicContact CD1-CD1 4.03Å; L261-I368 HydrophobicContact CD1-CG2 4.35Å; L261-I368 HydrophobicContact CD2-CD1 4.41Å; L261-F370 HydrophobicContact CD1-CE1 3.87Å; L261-F370 HydrophobicContact CD1-CZ 3.92Å; L261-M393 HydrophobicContact CD1-SD 4.44Å; L261-M393 HydrophobicContact CD2-CE 4Å; L261-M393 HydrophobicContact CD2-SD 4.05Å; L261-V397 HydrophobicContact CD2-CB 4.31Å; L261-V397 HydrophobicContact CD2-CG1 3.73Å; L261-V397 HydrophobicContact CD2-CG2 3.95Å |
| 262 | Y | 91.6 | Very high | 90.3 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -41 | -166.3 | -167.7 | -91 | 0 | 0 | 0 | 114.1 | L258 C259 D260 T264 L265 T266 M287 F292 T293 V294 V320 | L258-Y262 PolarHBondContact O-N 3.38Å; C259-Y262 WeakPolarHBondContact O-CB 3.35Å; C259-Y262 PolarHBondContact O-N 2.93Å; C259-Y262 VanDerWaalsContact O-N 3.09Å; D260-Y262 VanDerWaalsContact C-N 3.31Å; Y262-T264 PolarHBondContact O-N 3.01Å; Y262-L265 HydrophobicContact CD2-CD1 4.29Å; Y262-L265 WeakPolarHBondContact O-CA 3.47Å; Y262-L265 WeakPolarHBondContact O-CB 3.32Å; Y262-L265 PolarHBondContact O-N 3.49Å; Y262-T266 HydrophobicContact CD1-CG2 3.87Å; Y262-T266 HydrophobicContact CE1-CG2 3.37Å; Y262-T266 PolarHBondContact O-N 2.84Å; Y262-M287 HydrophobicContact CD2-CE 3.29Å; Y262-M287 HydrophobicContact CE2-CE 3.42Å; Y262-M287 VanDerWaalsContact CE2-CE 3.42Å; Y262-M287 HydrophobicContact CG-CE 4.36Å; Y262-F292 AromaticContact CD1-CD1 3.21Å; Y262-F292 HydrophobicContact CD1-CD1 3.21Å; Y262-F292 AromaticContact CD1-CE1 3.52Å; Y262-F292 HydrophobicContact CD1-CE1 3.52Å; Y262-F292 HydrophobicContact CD1-CG 4.26Å; Y262-F292 HydrophobicContact CD2-CB 4.29Å; Y262-F292 AromaticContact CD2-CD1 3.75Å; Y262-F292 HydrophobicContact CD2-CD1 3.75Å; Y262-F292 HydrophobicContact CD2-CE1 4.26Å; Y262-F292 HydrophobicContact CD2-CG 4.09Å; Y262-F292 HydrophobicContact CE1-CB 4.24Å; Y262-F292 AromaticContact CE1-CD1 3.42Å; Y262-F292 HydrophobicContact CE1-CD1 3.42Å; Y262-F292 VanDerWaalsContact CE1-CD1 3.42Å; Y262-F292 HydrophobicContact CE1-CE1 4.19Å; Y262-F292 HydrophobicContact CE1-CG 4.25Å; Y262-F292 HydrophobicContact CE2-CB 3.77Å; Y262-F292 AromaticContact CE2-CD1 3.93Å; Y262-F292 HydrophobicContact CE2-CD1 3.93Å; Y262-F292 HydrophobicContact CE2-CG 4.06Å; Y262-F292 AromaticContact CG-CD1 3.36Å; Y262-F292 HydrophobicContact CG-CD1 3.36Å; Y262-F292 AromaticContact CG-CE1 3.53Å; Y262-F292 HydrophobicContact CG-CE1 3.53Å; Y262-F292 HydrophobicContact CG-CG 4.15Å; Y262-F292 HydrophobicContact CG-CZ 4.46Å; Y262-F292 AromaticContact CZ-CD1 3.76Å; Y262-T293 VanDerWaalsContact OH-C 3.24Å; Y262-T293 PolarHBondContact OH-N 2.88Å; Y262-T293 VanDerWaalsContact OH-N 3.12Å; Y262-T293 PolarHBondContact OH-O 3.05Å; Y262-V294 HydrophobicContact CE2-CG1 3.84Å; Y262-V320 HydrophobicContact CE2-CG2 4.02Å |
| 263 | D | 85.1 | Confident | 90.5 | Very high | 128 Ų | 128 | 35.4 Ų | 35.4 | 68% | 0.684 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.7 | -36.5 | 178.5 | -70.6 | -20.7 | 0 | 0 | 0 | 111.1 | L261 T266 | L261-D263 PolarHBondContact O-N 3.26Å; D263-T266 PolarHBondContact O-N 2.97Å; D263-T266 PolarHBondContact O-OG1 2.91Å |
| 264 | T | 82.9 | Confident | 90.6 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 15% | 0.153 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.5 | -37.7 | 173.7 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | L261 Y262 T266 V267 L338 V397 V401 | L261-T264 WeakPolarHBondContact O-CB 3.32Å; L261-T264 PolarHBondContact O-N 3.46Å; L261-T264 VanDerWaalsContact O-N 3.1Å; Y262-T264 PolarHBondContact O-N 3.01Å; T264-T266 PolarHBondContact O-N 2.61Å; T264-V267 PolarHBondContact O-N 2.67Å; T264-L338 HydrophobicContact CG2-CD2 4.4Å; T264-V397 HydrophobicContact CG2-CG1 4.13Å; T264-V401 HydrophobicContact CG2-CG2 3.78Å |
| 265 | L | 78.4 | Confident | 90.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.6 | -26.2 | 178.9 | -68.4 | 170.2 | 0 | 0 | 0 | 113.5 | L258 L261 Y262 S270 I272 V320 L338 I340 | L258-L265 HydrophobicContact CD1-CD1 3.74Å; L261-L265 WeakPolarHBondContact O-CG 3.26Å; L261-L265 PolarHBondContact O-N 3.15Å; Y262-L265 HydrophobicContact CD2-CD1 4.29Å; Y262-L265 WeakPolarHBondContact O-CA 3.47Å; Y262-L265 WeakPolarHBondContact O-CB 3.32Å; Y262-L265 PolarHBondContact O-N 3.49Å; L265-S270 WeakPolarHBondContact CA-OG 3.48Å; L265-S270 WeakPolarHBondContact CD2-OG 3.32Å; L265-S270 PolarHBondContact O-OG 3.49Å; L265-I272 HydrophobicContact CD1-CD1 4.34Å; L265-V320 HydrophobicContact CB-CG2 4.11Å; L265-L338 HydrophobicContact CD2-CD2 3.26Å; L265-L338 HydrophobicContact CD2-CG 3.67Å; L265-L338 HydrophobicContact CG-CD2 4.12Å; L265-I340 HydrophobicContact CD1-CD1 3.68Å; L265-I340 HydrophobicContact CD2-CD1 3.42Å; L265-I340 VanDerWaalsContact CD2-CD1 3.42Å; L265-I340 HydrophobicContact CD2-CG1 3.9Å; L265-I340 HydrophobicContact CG-CD1 4.05Å |
| 266 | T | 78.1 | Confident | 90.4 | Very high | 52 Ų | 52 | 35.4 Ų | 35.4 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -91.5 | -12.2 | -175.5 | 62.8 | 0 | 0 | 0 | 0 | 114.6 | Y262 D263 T264 T268 V320 | Y262-T266 HydrophobicContact CD1-CG2 3.87Å; Y262-T266 HydrophobicContact CE1-CG2 3.37Å; Y262-T266 PolarHBondContact O-N 2.84Å; D263-T266 PolarHBondContact O-N 2.97Å; D263-T266 PolarHBondContact O-OG1 2.91Å; T264-T266 PolarHBondContact O-N 2.61Å; T266-T268 CarbonylContact C-O 3.5Å; T266-T268 PolarHBondContact O-N 3.17Å; T266-V320 HydrophobicContact CG2-CG2 4.23Å |
| 267 | V | 79.8 | Confident | 90.4 | Very high | 100 Ų | 100 | 35.3 Ų | 35.3 | 61% | 0.606 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -57.3 | -42.4 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | T264 | T264-V267 PolarHBondContact O-N 2.67Å |
| 268 | T | 84.6 | Confident | 90.5 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -123.7 | -155.4 | 176.1 | 61.3 | 0 | 0 | 0 | 0 | 109.5 | T266 S337 V401 | T266-T268 CarbonylContact C-O 3.5Å; T266-T268 PolarHBondContact O-N 3.17Å; T268-S337 VanDerWaalsContact CB-OG 3.25Å; T268-S337 WeakPolarHBondContact CB-OG 3.25Å; T268-S337 WeakPolarHBondContact CG2-OG 3.39Å; T268-S337 PolarHBondContact OG1-OG 2.95Å; T268-V401 HydrophobicContact CG2-CG1 3.96Å |
| 269 | Q | 91.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 143.5 | 170 | -58.4 | -166.1 | -96.7 | 0 | 0 | 110.5 | F313 S318 R319 Q335 V336 S337 | Q269-F313 HydrophobicContact CB-CE2 4.19Å; Q269-F313 HydrophobicContact CB-CZ 4.13Å; Q269-F313 PolarHBondContact NE2-O 3.04Å; Q269-F313 PolarHBondContact OE1-O 2.95Å; Q269-S318 PolarHBondContact NE2-O 2.9Å; Q269-R319 CarbonylContact C-O 3.48Å; Q269-R319 VanDerWaalsContact CA-O 3.27Å; Q269-R319 WeakPolarHBondContact CA-O 3.41Å; Q269-Q335 HydrophobicContact CB-CB 4.45Å; Q269-Q335 HydrophobicContact CG-CB 4.08Å; Q269-Q335 PolarHBondContact N-O 2.9Å; Q269-V336 HydrophobicContact CB-CG2 4.17Å; Q269-V336 VanDerWaalsContact O-CA 3.27Å; Q269-V336 WeakPolarHBondContact O-CA 3.43Å; Q269-S337 PolarHBondContact O-N 2.74Å; Q269-S337 VanDerWaalsContact O-N 3.13Å |
| 270 | S | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 144.4 | -172.6 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | L265 R319 L321 L338 | L265-S270 WeakPolarHBondContact CA-OG 3.48Å; L265-S270 WeakPolarHBondContact CD2-OG 3.32Å; L265-S270 PolarHBondContact O-OG 3.49Å; S270-R319 PolarHBondContact N-O 2.88Å; S270-L321 PolarHBondContact O-N 2.8Å; S270-L338 VanDerWaalsContact CA-O 3.25Å; S270-L338 WeakPolarHBondContact CA-O 3.5Å |
| 271 | V | 94.4 | Very high | 91 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.4 | 176.2 | -177 | 0 | 0 | 0 | 0 | 109.7 | F273 F313 L321 T323 V336 L338 V339 I340 | V271-F273 HydrophobicContact CB-CE2 4.3Å; V271-F273 HydrophobicContact CG1-CD2 4.07Å; V271-F273 HydrophobicContact CG1-CE1 4.19Å; V271-F273 HydrophobicContact CG1-CE2 3.55Å; V271-F273 HydrophobicContact CG1-CZ 3.62Å; V271-F313 HydrophobicContact CG2-CE1 4.13Å; V271-F313 HydrophobicContact CG2-CZ 3.85Å; V271-L321 CarbonylContact C-O 3.57Å; V271-L321 WeakPolarHBondContact CA-O 3.34Å; V271-T323 HydrophobicContact CG1-CG2 3.76Å; V271-V336 HydrophobicContact CG2-CG1 3.94Å; V271-V336 HydrophobicContact CG2-CG2 4.01Å; V271-L338 PolarHBondContact N-O 2.65Å; V271-L338 VanDerWaalsContact N-O 3.07Å; V271-V339 CarbonylContact O-C 3.55Å; V271-V339 WeakPolarHBondContact O-CA 3.48Å; V271-I340 PolarHBondContact O-N 3.22Å |
| 272 | I | 96.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.9 | 179 | -55.3 | 167.7 | 0 | 0 | 0 | 108.4 | L258 L265 L283 V320 L321 I322 T323 I340 Y342 | L258-I272 HydrophobicContact CD1-CD1 3.8Å; L258-I272 HydrophobicContact CD1-CG1 4.43Å; L258-I272 HydrophobicContact CD2-CD1 4.14Å; L265-I272 HydrophobicContact CD1-CD1 4.34Å; I272-L283 HydrophobicContact CG2-CD2 4.04Å; I272-V320 HydrophobicContact CD1-CG1 3.46Å; I272-V320 VanDerWaalsContact CD1-CG1 3.46Å; I272-V320 HydrophobicContact CG1-CG1 4.18Å; I272-L321 PolarHBondContact N-O 3.07Å; I272-I322 HydrophobicContact CB-CG1 4.19Å; I272-I322 HydrophobicContact CD1-CG1 3.96Å; I272-I322 CarbonylContact O-C 3.58Å; I272-I322 WeakPolarHBondContact O-CA 3.24Å; I272-T323 PolarHBondContact O-N 2.84Å; I272-I340 CarbonylContact C-O 3.52Å; I272-I340 WeakPolarHBondContact CA-O 3.44Å; I272-I340 HydrophobicContact CG1-CB 4.19Å; I272-I340 HydrophobicContact CG2-CB 4.35Å; I272-I340 HydrophobicContact CG2-CG2 4.3Å; I272-Y342 HydrophobicContact CG2-CD2 4.45Å |
| 273 | F | 97 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.5 | -179.7 | -73 | -76.3 | 0 | 0 | 0 | 112.5 | V271 T323 W327 A328 V339 I340 Y342 D343 R354 R357 | V271-F273 HydrophobicContact CB-CE2 4.3Å; V271-F273 HydrophobicContact CG1-CD2 4.07Å; V271-F273 HydrophobicContact CG1-CE1 4.19Å; V271-F273 HydrophobicContact CG1-CE2 3.55Å; V271-F273 HydrophobicContact CG1-CZ 3.62Å; F273-T323 WeakPolarHBondContact CA-O 3.49Å; F273-T323 HydrophobicContact CD1-CG2 3.81Å; F273-T323 HydrophobicContact CE1-CG2 3.61Å; F273-T323 HydrophobicContact CZ-CG2 4.32Å; F273-W327 HydrophobicContact CE1-CB 4.03Å; F273-A328 HydrophobicContact CE1-CB 4.01Å; F273-A328 HydrophobicContact CZ-CB 4.25Å; F273-V339 HydrophobicContact CD2-CG1 3.8Å; F273-V339 HydrophobicContact CE2-CG1 3.87Å; F273-I340 PolarHBondContact N-O 3Å; F273-Y342 VanDerWaalsContact O-CB 3.32Å; F273-Y342 WeakPolarHBondContact O-CB 3.32Å; F273-Y342 PolarHBondContact O-N 3.28Å; F273-D343 PolarHBondContact O-N 3.39Å; F273-R354 HydrophobicContact CB-CG 4.5Å; F273-R354 HydrophobicContact CD1-CG 4.06Å; F273-R354 HydrophobicContact CD2-CB 3.78Å; F273-R354 HydrophobicContact CD2-CG 3.71Å; F273-R354 HydrophobicContact CE1-CG 4.17Å; F273-R354 HydrophobicContact CE2-CB 3.73Å; F273-R354 HydrophobicContact CE2-CG 3.82Å; F273-R354 HydrophobicContact CG-CB 4.41Å; F273-R354 HydrophobicContact CG-CG 3.83Å; F273-R354 HydrophobicContact CZ-CB 4.32Å; F273-R354 HydrophobicContact CZ-CG 4.06Å; F273-R357 HydrophobicContact CE2-CG 4.24Å; F273-R357 HydrophobicContact CZ-CG 3.98Å |
| 274 | C | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -118.9 | 151 | 167.9 | -60.2 | 0 | 0 | 0 | 0 | 110 | T276 K279 V280 T323 T324 D343 | C274-T276 VanDerWaalsContact C-N 3.34Å; C274-T276 PolarHBondContact O-N 3.17Å; C274-K279 HydrophobicContact CB-CB 4.21Å; C274-K279 HydrophobicContact CB-CG 4.26Å; C274-V280 HydrophobicContact CB-CG2 3.82Å; C274-T323 PolarHBondContact N-O 3.09Å; C274-T324 WeakPolarHBondContact O-CA 3.21Å; C274-D343 WeakPolarHBondContact CA-OD2 3.27Å | ||
| 275 | N | 94.7 | Very high | 92.9 | Very high | 42 Ų | 42 | 42.4 Ų | 42.4 | 23% | 0.225 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77.5 | -19.2 | -176.4 | -70.1 | -2.7 | 0 | 0 | 0 | 113.3 | D343 L344 N346 R354 | N275-D343 HydrophobicContact CB-CB 4.17Å; N275-D343 VanDerWaalsContact CG-CB 3.48Å; N275-D343 PolarHBondContact N-OD2 3.43Å; N275-D343 WeakPolarHBondContact OD1-CB 3.37Å; N275-L344 PolarHBondContact ND2-O 3.11Å; N275-L344 PolarHBondContact OD1-O 3.38Å; N275-N346 PolarHBondContact ND2-OD1 2.91Å; N275-R354 PolarHBondContact OD1-NH2 2.96Å |
| 276 | T | 94.9 | Very high | 93.8 | Very high | 66 Ų | 66 | 45.1 Ų | 45.1 | 41% | 0.405 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -131.5 | 147.3 | -176 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | C274 R278 K279 V280 | C274-T276 VanDerWaalsContact C-N 3.34Å; C274-T276 PolarHBondContact O-N 3.17Å; T276-R278 VanDerWaalsContact C-N 3.28Å; T276-R278 PolarHBondContact O-N 2.97Å; T276-K279 PolarHBondContact O-N 3.34Å; T276-K279 VanDerWaalsContact O-N 3.08Å; T276-K279 VanDerWaalsContact OG1-CB 3.27Å; T276-K279 WeakPolarHBondContact OG1-CB 3.4Å; T276-K279 PolarHBondContact OG1-N 2.82Å; T276-V280 PolarHBondContact O-N 3.3Å |
| 277 | K | 94.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -39 | 176.3 | -50.2 | 179.6 | -172.6 | 165.5 | 0 | 111.9 | K279 V280 A281 H298 D300 T324 | K277-K279 VanDerWaalsContact C-N 3.26Å; K277-K279 PolarHBondContact O-N 2.91Å; K277-V280 WeakPolarHBondContact O-CB 3.3Å; K277-V280 PolarHBondContact O-N 2.91Å; K277-A281 PolarHBondContact O-N 2.95Å; K277-H298 HydrophobicContact CB-CB 4.21Å; K277-H298 HydrophobicContact CG-CB 4.04Å; K277-D300 HydrophobicContact CD-CB 4.37Å; K277-D300 WeakPolarHBondContact CD-OD2 3.39Å; K277-D300 IonicContact NZ-OD1 3.94Å; K277-D300 PolarHBondContact NZ-OD1 3.13Å; K277-D300 IonicContact NZ-OD2 2.62Å; K277-D300 PolarHBondContact NZ-OD2 3.23Å; K277-T324 HydrophobicContact CG-CG2 4.21Å |
| 278 | R | 96 | Very high | 95.5 | Very high | 213 Ų | 213 | 42.2 Ų | 42.2 | 80% | 0.804 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -58.1 | -40.5 | 174.7 | -174.8 | 177.5 | 68.3 | 175.9 | 1.3 | 111.6 | T276 W282 | T276-R278 VanDerWaalsContact C-N 3.28Å; T276-R278 PolarHBondContact O-N 2.97Å; R278-W282 WeakPolarHBondContact O-CB 3.22Å; R278-W282 PolarHBondContact O-N 3.43Å |
| 279 | K | 96.9 | Very high | 96.1 | Very high | 35 Ų | 35 | 47.5 Ų | 47.5 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -75.7 | -34.5 | 179.8 | -166.4 | 158.7 | -179.7 | -173.6 | 0 | 112.8 | E251 C274 T276 K277 W282 L283 Y342 D343 | E251-K279 IonicContact OE1-NZ 2.58Å; E251-K279 PolarHBondContact OE1-NZ 3.33Å; C274-K279 HydrophobicContact CB-CB 4.21Å; C274-K279 HydrophobicContact CB-CG 4.26Å; T276-K279 PolarHBondContact O-N 3.34Å; T276-K279 VanDerWaalsContact O-N 3.08Å; T276-K279 VanDerWaalsContact OG1-CB 3.27Å; T276-K279 WeakPolarHBondContact OG1-CB 3.4Å; T276-K279 PolarHBondContact OG1-N 2.82Å; K277-K279 VanDerWaalsContact C-N 3.26Å; K277-K279 PolarHBondContact O-N 2.91Å; K279-W282 HydrophobicContact CG-CE3 4.2Å; K279-W282 PolarHBondContact O-N 2.66Å; K279-L283 VanDerWaalsContact O-CB 3.24Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.42Å; K279-Y342 VanDerWaalsContact CE-CE1 3.49Å; K279-D343 WeakPolarHBondContact CD-OD2 3.18Å; K279-D343 IonicContact NZ-OD1 2.66Å; K279-D343 PolarHBondContact NZ-OD1 3Å; K279-D343 IonicContact NZ-OD2 3.63Å |
| 280 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.8 | -54.2 | 167.3 | 171.4 | 0 | 0 | 0 | 0 | 110 | C274 T276 K277 W282 L283 T284 I322 T323 T324 | C274-V280 HydrophobicContact CB-CG2 3.82Å; T276-V280 PolarHBondContact O-N 3.3Å; K277-V280 WeakPolarHBondContact O-CB 3.3Å; K277-V280 PolarHBondContact O-N 2.91Å; V280-W282 PolarHBondContact O-N 2.65Å; V280-L283 PolarHBondContact O-N 3.09Å; V280-T284 WeakPolarHBondContact O-CB 3.01Å; V280-T284 PolarHBondContact O-N 2.98Å; V280-T284 PolarHBondContact O-OG1 2.97Å; V280-I322 HydrophobicContact CB-CG2 4.37Å; V280-I322 HydrophobicContact CG1-CG2 4.01Å; V280-I322 HydrophobicContact CG2-CG2 4.31Å; V280-T323 WeakPolarHBondContact CG2-O 3.37Å; V280-T324 HydrophobicContact CG2-CG2 3.6Å |
| 281 | A | 96.4 | Very high | 96.4 | Very high | 46 Ų | 46 | 58.4 Ų | 58.4 | 38% | 0.38 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K277 T284 E285 | K277-A281 PolarHBondContact O-N 2.95Å; A281-T284 PolarHBondContact O-N 2.97Å; A281-E285 WeakPolarHBondContact O-CB 3.41Å; A281-E285 PolarHBondContact O-N 2.72Å |
| 282 | W | 97.7 | Very high | 96.4 | Very high | 102 Ų | 102 | 60.3 Ų | 60.3 | 39% | 0.386 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -47.5 | 176.6 | 169.7 | 83.6 | 0 | 0 | 0 | 112.4 | R278 K279 V280 E285 K286 Y342 | R278-W282 WeakPolarHBondContact O-CB 3.22Å; R278-W282 PolarHBondContact O-N 3.43Å; K279-W282 HydrophobicContact CG-CE3 4.2Å; K279-W282 PolarHBondContact O-N 2.66Å; V280-W282 PolarHBondContact O-N 2.65Å; W282-E285 PolarHBondContact O-N 2.83Å; W282-K286 HydrophobicContact CH2-CD 3.95Å; W282-K286 HydrophobicContact CZ2-CD 3.54Å; W282-K286 VanDerWaalsContact O-CB 3.31Å; W282-K286 WeakPolarHBondContact O-CB 3.48Å; W282-K286 PolarHBondContact O-N 3.01Å; W282-Y342 HydrophobicContact CZ3-CE1 4.36Å |
| 283 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | -177.6 | -175.5 | 60.7 | 0 | 0 | 0 | 110.4 | F255 L258 I272 K279 V280 K286 M287 I322 Y342 | F255-L283 HydrophobicContact CD2-CD1 3.93Å; F255-L283 HydrophobicContact CE2-CD1 4.44Å; L258-L283 HydrophobicContact CD2-CD1 3.86Å; L258-L283 HydrophobicContact CD2-CD2 4.05Å; L258-L283 HydrophobicContact CD2-CG 4.29Å; I272-L283 HydrophobicContact CG2-CD2 4.04Å; K279-L283 VanDerWaalsContact O-CB 3.24Å; K279-L283 WeakPolarHBondContact O-CB 3.48Å; K279-L283 PolarHBondContact O-N 3.42Å; V280-L283 PolarHBondContact O-N 3.09Å; L283-K286 PolarHBondContact O-N 2.76Å; L283-M287 HydrophobicContact CD1-CG 4.25Å; L283-M287 HydrophobicContact CG-CG 4.33Å; L283-M287 WeakPolarHBondContact O-CB 3.41Å; L283-M287 WeakPolarHBondContact O-CG 3.39Å; L283-M287 PolarHBondContact O-N 3.28Å; L283-I322 HydrophobicContact CD2-CD1 4.33Å; L283-I322 HydrophobicContact CD2-CG2 4.01Å; L283-I322 HydrophobicContact CG-CD1 4.09Å; L283-Y342 HydrophobicContact CD1-CD2 4.44Å; L283-Y342 HydrophobicContact CD1-CE2 3.81Å; L283-Y342 HydrophobicContact CD2-CD2 3.76Å; L283-Y342 HydrophobicContact CD2-CE2 3.97Å; L283-Y342 HydrophobicContact CD2-CG 4.05Å |
| 284 | T | 97.4 | Very high | 96.3 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 8% | 0.08 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 175.2 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | V280 A281 K286 M287 L288 V294 S296 | V280-T284 WeakPolarHBondContact O-CB 3.01Å; V280-T284 PolarHBondContact O-N 2.98Å; V280-T284 PolarHBondContact O-OG1 2.97Å; A281-T284 PolarHBondContact O-N 2.97Å; T284-K286 VanDerWaalsContact C-N 3.31Å; T284-K286 PolarHBondContact O-N 3.41Å; T284-M287 PolarHBondContact O-N 3.47Å; T284-L288 HydrophobicContact CG2-CD1 3.92Å; T284-L288 HydrophobicContact CG2-CG 4.48Å; T284-L288 WeakPolarHBondContact O-CB 3.25Å; T284-L288 VanDerWaalsContact O-CG 3.27Å; T284-L288 WeakPolarHBondContact O-CG 3.2Å; T284-L288 PolarHBondContact O-N 3.25Å; T284-V294 HydrophobicContact CG2-CG2 4.15Å; T284-S296 WeakPolarHBondContact OG1-CB 3.49Å |
| 285 | E | 97.4 | Very high | 96.2 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 177 | -173.6 | -173.8 | 172.5 | 0 | 0 | 111.4 | A281 W282 L288 K289 | A281-E285 WeakPolarHBondContact O-CB 3.41Å; A281-E285 PolarHBondContact O-N 2.72Å; W282-E285 PolarHBondContact O-N 2.83Å; E285-L288 PolarHBondContact O-N 2.97Å; E285-K289 HydrophobicContact CG-CD 4.29Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 VanDerWaalsContact O-CG 3.32Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 WeakPolarHBondContact OE1-CE 3.49Å; E285-K289 IonicContact OE1-NZ 2.62Å; E285-K289 PolarHBondContact OE1-NZ 3.26Å |
| 286 | K | 97.4 | Very high | 96.3 | Very high | 56 Ų | 56 | 66.1 Ų | 66.1 | 24% | 0.243 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | -179.8 | -159.9 | 179.3 | 176.3 | -167.6 | 0 | 111.9 | F255 W282 L283 T284 N290 | F255-K286 HydrophobicContact CD1-CD 4.05Å; F255-K286 VanDerWaalsContact CD1-NZ 3.28Å; F255-K286 HydrophobicContact CD2-CB 4.42Å; F255-K286 HydrophobicContact CD2-CD 3.55Å; F255-K286 HydrophobicContact CD2-CG 3.99Å; F255-K286 HydrophobicContact CE1-CD 4.12Å; F255-K286 HydrophobicContact CE1-CG 4.17Å; F255-K286 HydrophobicContact CE2-CB 3.88Å; F255-K286 HydrophobicContact CE2-CD 3.65Å; F255-K286 HydrophobicContact CE2-CG 3.52Å; F255-K286 HydrophobicContact CG-CD 3.76Å; F255-K286 HydrophobicContact CG-CG 4.5Å; F255-K286 VanDerWaalsContact CG-NZ 3.26Å; F255-K286 HydrophobicContact CZ-CB 4.36Å; F255-K286 HydrophobicContact CZ-CD 3.94Å; F255-K286 HydrophobicContact CZ-CG 3.62Å; W282-K286 HydrophobicContact CH2-CD 3.95Å; W282-K286 HydrophobicContact CZ2-CD 3.54Å; W282-K286 VanDerWaalsContact O-CB 3.31Å; W282-K286 WeakPolarHBondContact O-CB 3.48Å; W282-K286 PolarHBondContact O-N 3.01Å; L283-K286 PolarHBondContact O-N 2.76Å; T284-K286 VanDerWaalsContact C-N 3.31Å; T284-K286 PolarHBondContact O-N 3.41Å; K286-N290 PolarHBondContact O-N 3.01Å; K286-N290 PolarHBondContact O-ND2 3.27Å |
| 287 | M | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 175.2 | -71.7 | -65.6 | -75.5 | 0 | 0 | 111.4 | F255 L258 Y262 L283 T284 K289 N290 N291 F292 V294 I322 | F255-M287 HydrophobicContact CD2-SD 4.39Å; F255-M287 HydrophobicContact CE2-CG 4.19Å; F255-M287 HydrophobicContact CE2-SD 3.67Å; F255-M287 HydrophobicContact CZ-SD 4.37Å; L258-M287 HydrophobicContact CD2-CE 4.13Å; L258-M287 HydrophobicContact CD2-CG 4.4Å; L258-M287 HydrophobicContact CD2-SD 3.74Å; L258-M287 HydrophobicContact CG-CE 4.27Å; L258-M287 HydrophobicContact CG-SD 4.24Å; Y262-M287 HydrophobicContact CD2-CE 3.29Å; Y262-M287 HydrophobicContact CE2-CE 3.42Å; Y262-M287 VanDerWaalsContact CE2-CE 3.42Å; Y262-M287 HydrophobicContact CG-CE 4.36Å; L283-M287 HydrophobicContact CD1-CG 4.25Å; L283-M287 HydrophobicContact CG-CG 4.33Å; L283-M287 WeakPolarHBondContact O-CB 3.41Å; L283-M287 WeakPolarHBondContact O-CG 3.39Å; L283-M287 PolarHBondContact O-N 3.28Å; T284-M287 PolarHBondContact O-N 3.47Å; M287-K289 PolarHBondContact O-N 2.84Å; M287-N290 CarbonylContact O-C 3.45Å; M287-N290 PolarHBondContact O-N 3.29Å; M287-N291 PolarHBondContact O-N 2.81Å; M287-F292 HydrophobicContact CB-CB 4.22Å; M287-F292 HydrophobicContact CE-CB 3.73Å; M287-F292 HydrophobicContact CE-CD2 3.84Å; M287-F292 HydrophobicContact CE-CG 3.79Å; M287-F292 WeakPolarHBondContact O-CB 3.33Å; M287-F292 PolarHBondContact O-N 2.83Å; M287-F292 HydrophobicContact SD-CD2 3.98Å; M287-F292 HydrophobicContact SD-CG 4.5Å; M287-V294 HydrophobicContact CB-CG1 4.13Å; M287-V294 HydrophobicContact CB-CG2 3.75Å; M287-V294 HydrophobicContact CE-CG1 4.02Å; M287-V294 HydrophobicContact CG-CG1 4.46Å; M287-I322 HydrophobicContact CG-CD1 4.25Å |
| 288 | L | 96.9 | Very high | 95.9 | Very high | 92 Ų | 92 | 60.5 Ų | 60.5 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 178 | -69.9 | 170.4 | 0 | 0 | 0 | 112.1 | T284 E285 N290 N291 V294 | T284-L288 HydrophobicContact CG2-CD1 3.92Å; T284-L288 HydrophobicContact CG2-CG 4.48Å; T284-L288 WeakPolarHBondContact O-CB 3.25Å; T284-L288 VanDerWaalsContact O-CG 3.27Å; T284-L288 WeakPolarHBondContact O-CG 3.2Å; T284-L288 PolarHBondContact O-N 3.25Å; E285-L288 PolarHBondContact O-N 2.97Å; L288-N290 PolarHBondContact O-N 2.79Å; L288-N291 PolarHBondContact O-N 2.93Å; L288-V294 HydrophobicContact CD2-CG2 4.24Å; L288-V294 HydrophobicContact CG-CG2 4.12Å |
| 289 | K | 96.9 | Very high | 95.4 | Very high | 145 Ų | 145 | 52.1 Ų | 52.1 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.6 | -23.5 | 174.8 | -78.4 | 178.6 | -177.3 | 172.1 | 0 | 113.7 | E285 M287 N291 | E285-K289 HydrophobicContact CG-CD 4.29Å; E285-K289 WeakPolarHBondContact O-CB 3.39Å; E285-K289 VanDerWaalsContact O-CG 3.32Å; E285-K289 WeakPolarHBondContact O-CG 3.49Å; E285-K289 PolarHBondContact O-N 3.41Å; E285-K289 WeakPolarHBondContact OE1-CE 3.49Å; E285-K289 IonicContact OE1-NZ 2.62Å; E285-K289 PolarHBondContact OE1-NZ 3.26Å; M287-K289 PolarHBondContact O-N 2.84Å; K289-N291 VanDerWaalsContact C-N 3.35Å |
| 290 | N | 95.5 | Very high | 95 | Very high | 81 Ų | 81 | 55.9 Ų | 55.9 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 20.8 | 175.6 | -72.1 | -86.7 | 0 | 0 | 0 | 112.2 | F255 K286 M287 L288 F292 | F255-N290 HydrophobicContact CZ-CB 4.34Å; F255-N290 WeakPolarHBondContact CZ-ND2 3.48Å; K286-N290 PolarHBondContact O-N 3.01Å; K286-N290 PolarHBondContact O-ND2 3.27Å; M287-N290 CarbonylContact O-C 3.45Å; M287-N290 PolarHBondContact O-N 3.29Å; L288-N290 PolarHBondContact O-N 2.79Å; N290-F292 VanDerWaalsContact C-N 3.3Å; N290-F292 HydrophobicContact CB-CD2 3.84Å; N290-F292 HydrophobicContact CB-CE2 3.88Å; N290-F292 PolarHBondContact O-N 3.14Å |
| 291 | N | 94.3 | Very high | 94.6 | Very high | 151 Ų | 151 | 56.9 Ų | 56.9 | 81% | 0.807 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 24.2 | 176.6 | -55 | -49.7 | 0 | 0 | 0 | 115.4 | M287 L288 K289 | M287-N291 PolarHBondContact O-N 2.81Å; L288-N291 PolarHBondContact O-N 2.93Å; K289-N291 VanDerWaalsContact C-N 3.35Å |
| 292 | F | 95.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 18% | 0.184 | 31% | 0.314 | C | S | . | . | trans | -92.7 | 129.2 | 172.4 | -64 | -66 | 0 | 0 | 0 | 111.6 | C259 Y262 M287 N290 V294 | C259-F292 HydrophobicContact CB-CE2 3.98Å; C259-F292 HydrophobicContact CB-CZ 3.96Å; C259-F292 WeakPolarHBondContact SG-CE2 3.33Å; Y262-F292 AromaticContact CD1-CD1 3.21Å; Y262-F292 HydrophobicContact CD1-CD1 3.21Å; Y262-F292 AromaticContact CD1-CE1 3.52Å; Y262-F292 HydrophobicContact CD1-CE1 3.52Å; Y262-F292 HydrophobicContact CD1-CG 4.26Å; Y262-F292 HydrophobicContact CD2-CB 4.29Å; Y262-F292 AromaticContact CD2-CD1 3.75Å; Y262-F292 HydrophobicContact CD2-CD1 3.75Å; Y262-F292 HydrophobicContact CD2-CE1 4.26Å; Y262-F292 HydrophobicContact CD2-CG 4.09Å; Y262-F292 HydrophobicContact CE1-CB 4.24Å; Y262-F292 AromaticContact CE1-CD1 3.42Å; Y262-F292 HydrophobicContact CE1-CD1 3.42Å; Y262-F292 VanDerWaalsContact CE1-CD1 3.42Å; Y262-F292 HydrophobicContact CE1-CE1 4.19Å; Y262-F292 HydrophobicContact CE1-CG 4.25Å; Y262-F292 HydrophobicContact CE2-CB 3.77Å; Y262-F292 AromaticContact CE2-CD1 3.93Å; Y262-F292 HydrophobicContact CE2-CD1 3.93Å; Y262-F292 HydrophobicContact CE2-CG 4.06Å; Y262-F292 AromaticContact CG-CD1 3.36Å; Y262-F292 HydrophobicContact CG-CD1 3.36Å; Y262-F292 AromaticContact CG-CE1 3.53Å; Y262-F292 HydrophobicContact CG-CE1 3.53Å; Y262-F292 HydrophobicContact CG-CG 4.15Å; Y262-F292 HydrophobicContact CG-CZ 4.46Å; Y262-F292 AromaticContact CZ-CD1 3.76Å; M287-F292 HydrophobicContact CB-CB 4.22Å; M287-F292 HydrophobicContact CE-CB 3.73Å; M287-F292 HydrophobicContact CE-CD2 3.84Å; M287-F292 HydrophobicContact CE-CG 3.79Å; M287-F292 WeakPolarHBondContact O-CB 3.33Å; M287-F292 PolarHBondContact O-N 2.83Å; M287-F292 HydrophobicContact SD-CD2 3.98Å; M287-F292 HydrophobicContact SD-CG 4.5Å; N290-F292 VanDerWaalsContact C-N 3.3Å; N290-F292 HydrophobicContact CB-CD2 3.84Å; N290-F292 HydrophobicContact CB-CE2 3.88Å; N290-F292 PolarHBondContact O-N 3.14Å; F292-V294 PolarHBondContact O-N 3.49Å | ||
| 293 | T | 94.8 | Very high | 93.8 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 68% | 0.681 | 30% | 0.299 | S | S | * | . | trans | -81.9 | 98.2 | 177.6 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | Y262 | Y262-T293 VanDerWaalsContact OH-C 3.24Å; Y262-T293 PolarHBondContact OH-N 2.88Å; Y262-T293 VanDerWaalsContact OH-N 3.12Å; Y262-T293 PolarHBondContact OH-O 3.05Å | ||
| 294 | V | 95.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | trans | -122.6 | 144.2 | -179.9 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | Y262 T284 M287 L288 F292 V320 I322 | Y262-V294 HydrophobicContact CE2-CG1 3.84Å; T284-V294 HydrophobicContact CG2-CG2 4.15Å; M287-V294 HydrophobicContact CB-CG1 4.13Å; M287-V294 HydrophobicContact CB-CG2 3.75Å; M287-V294 HydrophobicContact CE-CG1 4.02Å; M287-V294 HydrophobicContact CG-CG1 4.46Å; L288-V294 HydrophobicContact CD2-CG2 4.24Å; L288-V294 HydrophobicContact CG-CG2 4.12Å; F292-V294 PolarHBondContact O-N 3.49Å; V294-V320 HydrophobicContact CG1-CB 4.1Å; V294-V320 HydrophobicContact CG1-CG1 3.92Å; V294-I322 HydrophobicContact CB-CD1 3.96Å; V294-I322 HydrophobicContact CB-CG1 4.49Å; V294-I322 HydrophobicContact CG1-CD1 4.22Å; V294-I322 HydrophobicContact CG2-CD1 3.87Å | ||
| 295 | A | 95.5 | Very high | 93.2 | Very high | 12 Ų | 12 | 65.5 Ų | 65.5 | 10% | 0.099 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 157.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I309 V320 L321 I322 | A295-I309 HydrophobicContact CB-CG2 4.22Å; A295-V320 PolarHBondContact N-O 3.24Å; A295-L321 HydrophobicContact CB-CD1 4.19Å; A295-L321 WeakPolarHBondContact O-CA 3.32Å; A295-I322 PolarHBondContact O-N 2.82Å |
| 296 | S | 95.5 | Very high | 92.8 | Very high | 23 Ų | 23 | 61 Ų | 61 | 16% | 0.161 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 146.2 | 176.5 | 80 | 0 | 0 | 0 | 0 | 112.6 | T284 M301 I309 I322 | T284-S296 WeakPolarHBondContact OG1-CB 3.49Å; S296-M301 WeakPolarHBondContact O-CE 3.12Å; S296-I309 WeakPolarHBondContact O-CD1 3.39Å; S296-I322 CarbonylContact C-O 3.52Å; S296-I322 WeakPolarHBondContact CA-O 3.48Å |
| 297 | M | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 134.6 | 177.5 | -164.3 | -170.5 | -18.8 | 0 | 0 | 113 | M301 R306 I309 M310 L321 I322 T323 W327 | M297-M301 VanDerWaalsContact CA-SD 3.53Å; M297-M301 HydrophobicContact CB-SD 4.42Å; M297-M301 HydrophobicContact CG-SD 4.21Å; M297-R306 HydrophobicContact CG-CB 4.36Å; M297-R306 HydrophobicContact CG-CG 4.01Å; M297-R306 HydrophobicContact SD-CB 3.93Å; M297-R306 HydrophobicContact SD-CG 4.15Å; M297-I309 HydrophobicContact CE-CG2 4.23Å; M297-M310 HydrophobicContact CE-CG 3.53Å; M297-M310 HydrophobicContact CE-SD 3.63Å; M297-M310 HydrophobicContact SD-CG 4.33Å; M297-L321 HydrophobicContact CB-CD1 4.15Å; M297-L321 HydrophobicContact CE-CD1 4.45Å; M297-L321 HydrophobicContact CE-CD2 4.29Å; M297-I322 PolarHBondContact N-O 2.83Å; M297-T323 WeakPolarHBondContact O-CA 3.46Å; M297-T323 WeakPolarHBondContact O-CB 3.44Å; M297-T323 PolarHBondContact O-OG1 2.67Å; M297-W327 HydrophobicContact CE-CD2 4.17Å; M297-W327 HydrophobicContact CE-CG 4.4Å; M297-W327 HydrophobicContact CE-CZ2 3.75Å; M297-W327 PolarHBondContact SD-NE1 3.08Å |
| 298 | H | 90.6 | Very high | 92.1 | Very high | 31 Ų | 31 | 66.7 Ų | 66.7 | 14% | 0.144 | 35% | 0.35 | C | S | . | . | trans | -149.8 | 172.2 | 172.9 | 61.3 | 57.8 | 0 | 0 | 0 | 113 | K277 D300 M301 T324 | K277-H298 HydrophobicContact CB-CB 4.21Å; K277-H298 HydrophobicContact CG-CB 4.04Å; H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 PolarHBondContact ND1-N 2.8Å; H298-D300 PolarHBondContact O-N 2.9Å; H298-M301 PolarHBondContact N-SD 2.84Å; H298-M301 PolarHBondContact O-N 2.79Å; H298-T324 HydrophobicContact CB-CG2 4.22Å | ||
| 299 | G | 84.7 | Confident | 91.8 | Very high | 37 Ų | 37 | 63.6 Ų | 63.6 | 38% | 0.381 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 300 | D | 87.7 | Confident | 91.4 | Very high | 114 Ų | 114 | 57.3 Ų | 57.3 | 61% | 0.61 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -6.4 | 178.9 | -65 | -20 | 0 | 0 | 0 | 114.3 | K277 H298 | K277-D300 HydrophobicContact CD-CB 4.37Å; K277-D300 WeakPolarHBondContact CD-OD2 3.39Å; K277-D300 IonicContact NZ-OD1 3.94Å; K277-D300 PolarHBondContact NZ-OD1 3.13Å; K277-D300 IonicContact NZ-OD2 2.62Å; K277-D300 PolarHBondContact NZ-OD2 3.23Å; H298-D300 VanDerWaalsContact C-N 3.29Å; H298-D300 PolarHBondContact ND1-N 2.8Å; H298-D300 PolarHBondContact O-N 2.9Å |
| 301 | M | 89.5 | Confident | 91.1 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.103 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74.7 | 149.6 | 178.2 | -66.3 | 165.7 | 85.2 | 0 | 0 | 110.9 | S296 M297 H298 E305 R306 I309 | S296-M301 WeakPolarHBondContact O-CE 3.12Å; M297-M301 VanDerWaalsContact CA-SD 3.53Å; M297-M301 HydrophobicContact CB-SD 4.42Å; M297-M301 HydrophobicContact CG-SD 4.21Å; H298-M301 PolarHBondContact N-SD 2.84Å; H298-M301 PolarHBondContact O-N 2.79Å; M301-E305 HydrophobicContact CE-CG 3.69Å; M301-E305 WeakPolarHBondContact CE-OE1 3.28Å; M301-R306 HydrophobicContact CB-CG 3.7Å; M301-R306 WeakPolarHBondContact O-CD 3.27Å; M301-I309 HydrophobicContact CE-CD1 3.33Å |
| 302 | V | 91.1 | Very high | 91 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | trans | -66.9 | 147.8 | 176.1 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | K304 E305 R306 | V302-K304 VanDerWaalsContact C-N 3.28Å; V302-K304 PolarHBondContact O-N 3.1Å; V302-E305 HydrophobicContact CG2-CB 3.71Å; V302-E305 WeakPolarHBondContact O-CB 3.37Å; V302-E305 PolarHBondContact O-N 3.34Å; V302-E305 VanDerWaalsContact O-N 3.17Å; V302-R306 WeakPolarHBondContact O-CG 3.48Å; V302-R306 PolarHBondContact O-N 3Å | ||
| 303 | Q | 86.2 | Confident | 90.8 | Very high | 16 Ų | 16 | 54.4 Ų | 54.4 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -38.9 | -170.9 | -173.9 | 57.9 | 29.9 | 0 | 0 | 113.1 | E107 Y131 E305 R306 E307 | E107-Q303 PolarHBondContact OE1-NE2 2.84Å; Y131-Q303 HydrophobicContact CE2-CG 4.19Å; Q303-E305 VanDerWaalsContact C-N 3.34Å; Q303-E305 PolarHBondContact O-N 3.36Å; Q303-R306 PolarHBondContact O-N 3.28Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.42Å; Q303-E307 PolarHBondContact NE2-OE1 3.23Å; Q303-E307 VanDerWaalsContact NE2-OE1 3.08Å; Q303-E307 WeakPolarHBondContact O-CG 3.34Å; Q303-E307 PolarHBondContact O-N 2.76Å |
| 304 | K | 90.6 | Very high | 90.5 | Very high | 148 Ų | 148 | 52.8 Ų | 52.8 | 64% | 0.643 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -44.3 | 179.4 | -170.6 | -174.8 | 178.9 | -158.8 | 0 | 112.1 | V302 E307 E308 | V302-K304 VanDerWaalsContact C-N 3.28Å; V302-K304 PolarHBondContact O-N 3.1Å; K304-E307 PolarHBondContact O-N 2.89Å; K304-E308 WeakPolarHBondContact CE-OE1 3.25Å; K304-E308 IonicContact NZ-OE1 3.79Å; K304-E308 WeakPolarHBondContact O-CG 3.38Å; K304-E308 PolarHBondContact O-N 2.6Å |
| 305 | E | 92 | Very high | 90.2 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 178.3 | -172.9 | -175 | -173.8 | 0 | 0 | 111.1 | M301 V302 Q303 E307 E308 I309 | M301-E305 HydrophobicContact CE-CG 3.69Å; M301-E305 WeakPolarHBondContact CE-OE1 3.28Å; V302-E305 HydrophobicContact CG2-CB 3.71Å; V302-E305 WeakPolarHBondContact O-CB 3.37Å; V302-E305 PolarHBondContact O-N 3.34Å; V302-E305 VanDerWaalsContact O-N 3.17Å; Q303-E305 VanDerWaalsContact C-N 3.34Å; Q303-E305 PolarHBondContact O-N 3.36Å; E305-E307 VanDerWaalsContact C-N 3.3Å; E305-E307 PolarHBondContact O-N 3.45Å; E305-E308 PolarHBondContact O-N 2.86Å; E305-I309 HydrophobicContact CG-CD1 4.09Å; E305-I309 WeakPolarHBondContact O-CB 2.83Å; E305-I309 VanDerWaalsContact O-CG1 3.29Å; E305-I309 WeakPolarHBondContact O-CG1 3.1Å; E305-I309 PolarHBondContact O-N 3.13Å |
| 306 | R | 89 | Confident | 89.9 | Confident | 6 Ų | 6 | 55.3 Ų | 55.3 | 2% | 0.023 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 175.5 | -62.7 | 176.5 | 71.1 | -130.2 | -4.5 | 111.9 | E107 M297 M301 V302 Q303 M310 | E107-R306 VanDerWaalsContact CD-CZ 3.44Å; E107-R306 IonicContact OE1-CZ 3.6Å; E107-R306 IonicContact OE1-NE 3.07Å; E107-R306 IonicContact OE1-NH1 3.49Å; E107-R306 PolarHBondContact OE1-NH1 2.84Å; E107-R306 IonicContact OE1-NH2 3.72Å; E107-R306 PolarHBondContact OE1-NH2 3.26Å; E107-R306 IonicContact OE2-CZ 2.99Å; E107-R306 IonicContact OE2-NH1 2.68Å; E107-R306 PolarHBondContact OE2-NH1 3.23Å; E107-R306 IonicContact OE2-NH2 3.02Å; E107-R306 PolarHBondContact OE2-NH2 3.22Å; M297-R306 HydrophobicContact CG-CB 4.36Å; M297-R306 HydrophobicContact CG-CG 4.01Å; M297-R306 HydrophobicContact SD-CB 3.93Å; M297-R306 HydrophobicContact SD-CG 4.15Å; M301-R306 HydrophobicContact CB-CG 3.7Å; M301-R306 WeakPolarHBondContact O-CD 3.27Å; V302-R306 WeakPolarHBondContact O-CG 3.48Å; V302-R306 PolarHBondContact O-N 3Å; Q303-R306 PolarHBondContact O-N 3.28Å; R306-M310 VanDerWaalsContact O-CB 3.25Å; R306-M310 WeakPolarHBondContact O-CB 3.37Å; R306-M310 VanDerWaalsContact O-CG 3.27Å; R306-M310 WeakPolarHBondContact O-CG 3.13Å; R306-M310 PolarHBondContact O-N 3.05Å; R306-M310 VanDerWaalsContact O-N 3.15Å |
| 307 | E | 87.4 | Confident | 89.8 | Confident | 82 Ų | 82 | 60 Ų | 60 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.5 | -39.1 | 176.9 | -73.9 | 172 | -173.1 | 0 | 0 | 112.5 | Y131 Q303 K304 E305 M310 K311 | Y131-E307 PolarHBondContact OH-OE1 3.01Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.42Å; Q303-E307 PolarHBondContact NE2-OE1 3.23Å; Q303-E307 VanDerWaalsContact NE2-OE1 3.08Å; Q303-E307 WeakPolarHBondContact O-CG 3.34Å; Q303-E307 PolarHBondContact O-N 2.76Å; K304-E307 PolarHBondContact O-N 2.89Å; E305-E307 VanDerWaalsContact C-N 3.3Å; E305-E307 PolarHBondContact O-N 3.45Å; E307-M310 PolarHBondContact O-N 3.47Å; E307-K311 WeakPolarHBondContact O-CB 3.27Å; E307-K311 PolarHBondContact O-N 3.02Å |
| 308 | E | 92.1 | Very high | 89.8 | Confident | 94 Ų | 94 | 61.2 Ų | 61.2 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.7 | -53.3 | 175.2 | -76 | 171.6 | -177.4 | 0 | 0 | 111.2 | K304 E305 M310 K311 D312 | K304-E308 WeakPolarHBondContact CE-OE1 3.25Å; K304-E308 IonicContact NZ-OE1 3.79Å; K304-E308 WeakPolarHBondContact O-CG 3.38Å; K304-E308 PolarHBondContact O-N 2.6Å; E305-E308 PolarHBondContact O-N 2.86Å; E308-M310 PolarHBondContact O-N 2.93Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 2.73Å; E308-D312 PolarHBondContact O-N 3.49Å |
| 309 | I | 92.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 14% | 0.138 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.7 | -35 | 175.6 | -68.3 | 173.7 | 0 | 0 | 0 | 110.8 | A295 S296 M297 M301 E305 F313 L321 | A295-I309 HydrophobicContact CB-CG2 4.22Å; S296-I309 WeakPolarHBondContact O-CD1 3.39Å; M297-I309 HydrophobicContact CE-CG2 4.23Å; M301-I309 HydrophobicContact CE-CD1 3.33Å; E305-I309 HydrophobicContact CG-CD1 4.09Å; E305-I309 WeakPolarHBondContact O-CB 2.83Å; E305-I309 VanDerWaalsContact O-CG1 3.29Å; E305-I309 WeakPolarHBondContact O-CG1 3.1Å; E305-I309 PolarHBondContact O-N 3.13Å; I309-F313 VanDerWaalsContact O-CB 3.27Å; I309-F313 WeakPolarHBondContact O-CB 3.5Å; I309-F313 PolarHBondContact O-N 3.23Å; I309-L321 HydrophobicContact CG2-CD1 4.03Å |
| 310 | M | 87.3 | Confident | 90.4 | Very high | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.064 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -75.2 | -33.5 | 178.4 | -87.1 | -47.3 | -61.8 | 0 | 0 | 116.6 | M297 R306 E307 E308 D312 F313 R314 W327 I331 V333 | M297-M310 HydrophobicContact CE-CG 3.53Å; M297-M310 HydrophobicContact CE-SD 3.63Å; M297-M310 HydrophobicContact SD-CG 4.33Å; R306-M310 VanDerWaalsContact O-CB 3.25Å; R306-M310 WeakPolarHBondContact O-CB 3.37Å; R306-M310 VanDerWaalsContact O-CG 3.27Å; R306-M310 WeakPolarHBondContact O-CG 3.13Å; R306-M310 PolarHBondContact O-N 3.05Å; R306-M310 VanDerWaalsContact O-N 3.15Å; E307-M310 PolarHBondContact O-N 3.47Å; E308-M310 PolarHBondContact O-N 2.93Å; M310-D312 VanDerWaalsContact C-N 3.35Å; M310-F313 HydrophobicContact SD-CB 4.47Å; M310-R314 HydrophobicContact CE-CG 3.82Å; M310-R314 VanDerWaalsContact CE-NE 3.35Å; M310-R314 WeakPolarHBondContact O-CB 3.42Å; M310-R314 VanDerWaalsContact O-CG 3.27Å; M310-R314 WeakPolarHBondContact O-CG 3.44Å; M310-R314 PolarHBondContact O-N 2.94Å; M310-W327 HydrophobicContact CE-CH2 3.18Å; M310-W327 HydrophobicContact CE-CZ2 3.36Å; M310-W327 HydrophobicContact CE-CZ3 4.44Å; M310-W327 HydrophobicContact CG-CH2 4.44Å; M310-W327 HydrophobicContact CG-CZ2 3.69Å; M310-W327 HydrophobicContact SD-CH2 3.1Å; M310-W327 WeakPolarHBondContact SD-CH2 3.39Å; M310-W327 HydrophobicContact SD-CZ2 2.83Å; M310-W327 WeakPolarHBondContact SD-CZ2 3.35Å; M310-W327 HydrophobicContact SD-CZ3 4.26Å; M310-I331 HydrophobicContact CE-CG2 3.95Å; M310-V333 HydrophobicContact CE-CG2 4.22Å |
| 311 | K | 89.9 | Confident | 90.7 | Very high | 152 Ų | 152 | 58 Ų | 58 | 66% | 0.661 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.3 | -48.5 | 170.4 | -174.7 | -170.2 | 171.3 | -163.2 | 0 | 109.4 | E307 E308 R314 A315 | E307-K311 WeakPolarHBondContact O-CB 3.27Å; E307-K311 PolarHBondContact O-N 3.02Å; E308-K311 WeakPolarHBondContact O-CB 3.39Å; E308-K311 PolarHBondContact O-N 2.73Å; K311-R314 PolarHBondContact O-N 2.98Å; K311-A315 WeakPolarHBondContact O-CB 3.41Å; K311-A315 PolarHBondContact O-N 2.9Å |
| 312 | D | 92.6 | Very high | 91 | Very high | 60 Ų | 60 | 57 Ų | 57 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.1 | -41.9 | -176.4 | -62.1 | -4 | 0 | 0 | 0 | 111.5 | E308 M310 A315 G316 D317 S318 | E308-D312 PolarHBondContact O-N 3.49Å; M310-D312 VanDerWaalsContact C-N 3.35Å; D312-A315 PolarHBondContact O-N 3.05Å; D312-G316 PolarHBondContact O-N 3.02Å; D312-G316 VanDerWaalsContact O-N 3.11Å; D312-D317 HydrophobicContact CB-CB 4.18Å; D312-D317 PolarHBondContact O-N 2.68Å; D312-S318 PolarHBondContact O-N 3.38Å |
| 313 | F | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 173.2 | -167.8 | -114.5 | 0 | 0 | 0 | 111.1 | Q269 V271 I309 M310 A315 G316 S318 L321 W327 V333 V336 | Q269-F313 HydrophobicContact CB-CE2 4.19Å; Q269-F313 HydrophobicContact CB-CZ 4.13Å; Q269-F313 PolarHBondContact NE2-O 3.04Å; Q269-F313 PolarHBondContact OE1-O 2.95Å; V271-F313 HydrophobicContact CG2-CE1 4.13Å; V271-F313 HydrophobicContact CG2-CZ 3.85Å; I309-F313 VanDerWaalsContact O-CB 3.27Å; I309-F313 WeakPolarHBondContact O-CB 3.5Å; I309-F313 PolarHBondContact O-N 3.23Å; M310-F313 HydrophobicContact SD-CB 4.47Å; F313-A315 VanDerWaalsContact C-N 3.32Å; F313-A315 PolarHBondContact O-N 3.33Å; F313-G316 PolarHBondContact O-N 2.83Å; F313-S318 WeakPolarHBondContact CD2-O 3.48Å; F313-L321 HydrophobicContact CD1-CD2 4.01Å; F313-L321 HydrophobicContact CD2-CB 3.85Å; F313-L321 HydrophobicContact CE1-CB 4.27Å; F313-L321 HydrophobicContact CE1-CD2 4.05Å; F313-L321 HydrophobicContact CE2-CB 3.58Å; F313-L321 HydrophobicContact CG-CB 4.33Å; F313-L321 HydrophobicContact CG-CD2 4.35Å; F313-L321 HydrophobicContact CZ-CB 3.81Å; F313-L321 HydrophobicContact CZ-CD2 4.42Å; F313-W327 HydrophobicContact CE1-CZ3 4.48Å; F313-V333 HydrophobicContact CD1-CB 4.48Å; F313-V333 HydrophobicContact CD1-CG1 4.11Å; F313-V333 HydrophobicContact CD1-CG2 3.9Å; F313-V333 HydrophobicContact CE1-CB 4.19Å; F313-V333 HydrophobicContact CE1-CG1 3.92Å; F313-V333 HydrophobicContact CE1-CG2 3.97Å; F313-V336 HydrophobicContact CE1-CG2 3.8Å; F313-V336 HydrophobicContact CZ-CG2 3.78Å |
| 314 | R | 87.3 | Confident | 91.6 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -67.7 | -31.1 | 176 | -75.8 | 175.9 | -177.8 | -172.5 | 5.6 | 113.9 | M310 K311 G316 V333 | M310-R314 HydrophobicContact CE-CG 3.82Å; M310-R314 VanDerWaalsContact CE-NE 3.35Å; M310-R314 WeakPolarHBondContact O-CB 3.42Å; M310-R314 VanDerWaalsContact O-CG 3.27Å; M310-R314 WeakPolarHBondContact O-CG 3.44Å; M310-R314 PolarHBondContact O-N 2.94Å; K311-R314 PolarHBondContact O-N 2.98Å; R314-G316 VanDerWaalsContact C-N 3.28Å; R314-V333 HydrophobicContact CG-CG2 4.07Å |
| 315 | A | 89.8 | Confident | 91.4 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 56% | 0.562 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -75.4 | -18.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K311 D312 F313 | K311-A315 WeakPolarHBondContact O-CB 3.41Å; K311-A315 PolarHBondContact O-N 2.9Å; D312-A315 PolarHBondContact O-N 3.05Å; F313-A315 VanDerWaalsContact C-N 3.32Å; F313-A315 PolarHBondContact O-N 3.33Å |
| 316 | G | 89.9 | Confident | 90.7 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 6.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D312 F313 R314 S318 R319 | D312-G316 PolarHBondContact O-N 3.02Å; D312-G316 VanDerWaalsContact O-N 3.11Å; F313-G316 PolarHBondContact O-N 2.83Å; R314-G316 VanDerWaalsContact C-N 3.28Å; G316-S318 VanDerWaalsContact C-N 3.28Å; G316-R319 PolarHBondContact O-NE 2.85Å; G316-R319 VanDerWaalsContact O-NE 3.13Å |
| 317 | D | 91.9 | Very high | 90.2 | Very high | 122 Ų | 122 | 44.1 Ų | 44.1 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -66.6 | -34.6 | 173.8 | -62.6 | -35.2 | 0 | 0 | 0 | 110.7 | D312 | D312-D317 HydrophobicContact CB-CB 4.18Å; D312-D317 PolarHBondContact O-N 2.68Å |
| 318 | S | 91.5 | Very high | 88.9 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 18% | 0.175 | 21% | 0.205 | C | C | . | . | trans | -105.4 | 122.8 | 166.8 | -68.4 | 0 | 0 | 0 | 0 | 110.3 | Q269 D312 F313 G316 | Q269-S318 PolarHBondContact NE2-O 2.9Å; D312-S318 PolarHBondContact O-N 3.38Å; F313-S318 WeakPolarHBondContact CD2-O 3.48Å; G316-S318 VanDerWaalsContact C-N 3.28Å | ||
| 319 | R | 93.2 | Very high | 87.8 | Confident | 115 Ų | 115 | 35.8 Ų | 35.8 | 43% | 0.434 | 18% | 0.184 | S | C | . | . | trans | -91.4 | -32 | -179.8 | -65.1 | -67.8 | 176.8 | 144.8 | -0.3 | 113.5 | Q269 S270 G316 | Q269-R319 CarbonylContact C-O 3.48Å; Q269-R319 VanDerWaalsContact CA-O 3.27Å; Q269-R319 WeakPolarHBondContact CA-O 3.41Å; S270-R319 PolarHBondContact N-O 2.88Å; G316-R319 PolarHBondContact O-NE 2.85Å; G316-R319 VanDerWaalsContact O-NE 3.13Å | ||
| 320 | V | 94.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 122.2 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | Y262 L265 T266 I272 V294 A295 | Y262-V320 HydrophobicContact CE2-CG2 4.02Å; L265-V320 HydrophobicContact CB-CG2 4.11Å; T266-V320 HydrophobicContact CG2-CG2 4.23Å; I272-V320 HydrophobicContact CD1-CG1 3.46Å; I272-V320 VanDerWaalsContact CD1-CG1 3.46Å; I272-V320 HydrophobicContact CG1-CG1 4.18Å; V294-V320 HydrophobicContact CG1-CB 4.1Å; V294-V320 HydrophobicContact CG1-CG1 3.92Å; A295-V320 PolarHBondContact N-O 3.24Å |
| 321 | L | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 118.9 | 177.6 | 177.6 | 65.3 | 0 | 0 | 0 | 110.9 | S270 V271 I272 A295 M297 I309 F313 W327 | S270-L321 PolarHBondContact O-N 2.8Å; V271-L321 CarbonylContact C-O 3.57Å; V271-L321 WeakPolarHBondContact CA-O 3.34Å; I272-L321 PolarHBondContact N-O 3.07Å; A295-L321 HydrophobicContact CB-CD1 4.19Å; A295-L321 WeakPolarHBondContact O-CA 3.32Å; M297-L321 HydrophobicContact CB-CD1 4.15Å; M297-L321 HydrophobicContact CE-CD1 4.45Å; M297-L321 HydrophobicContact CE-CD2 4.29Å; I309-L321 HydrophobicContact CG2-CD1 4.03Å; F313-L321 HydrophobicContact CD1-CD2 4.01Å; F313-L321 HydrophobicContact CD2-CB 3.85Å; F313-L321 HydrophobicContact CE1-CB 4.27Å; F313-L321 HydrophobicContact CE1-CD2 4.05Å; F313-L321 HydrophobicContact CE2-CB 3.58Å; F313-L321 HydrophobicContact CG-CB 4.33Å; F313-L321 HydrophobicContact CG-CD2 4.35Å; F313-L321 HydrophobicContact CZ-CB 3.81Å; F313-L321 HydrophobicContact CZ-CD2 4.42Å; L321-W327 HydrophobicContact CD2-CD2 3.92Å; L321-W327 HydrophobicContact CD2-CE3 3.78Å; L321-W327 HydrophobicContact CD2-CH2 4.42Å; L321-W327 HydrophobicContact CD2-CZ3 4.01Å |
| 322 | I | 96.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 126.5 | 172.5 | -55 | 167.6 | 0 | 0 | 0 | 109.2 | I272 V280 L283 M287 V294 A295 S296 M297 | I272-I322 HydrophobicContact CB-CG1 4.19Å; I272-I322 HydrophobicContact CD1-CG1 3.96Å; I272-I322 CarbonylContact O-C 3.58Å; I272-I322 WeakPolarHBondContact O-CA 3.24Å; V280-I322 HydrophobicContact CB-CG2 4.37Å; V280-I322 HydrophobicContact CG1-CG2 4.01Å; V280-I322 HydrophobicContact CG2-CG2 4.31Å; L283-I322 HydrophobicContact CD2-CD1 4.33Å; L283-I322 HydrophobicContact CD2-CG2 4.01Å; L283-I322 HydrophobicContact CG-CD1 4.09Å; M287-I322 HydrophobicContact CG-CD1 4.25Å; V294-I322 HydrophobicContact CB-CD1 3.96Å; V294-I322 HydrophobicContact CB-CG1 4.49Å; V294-I322 HydrophobicContact CG1-CD1 4.22Å; V294-I322 HydrophobicContact CG2-CD1 3.87Å; A295-I322 PolarHBondContact O-N 2.82Å; S296-I322 CarbonylContact C-O 3.52Å; S296-I322 WeakPolarHBondContact CA-O 3.48Å; M297-I322 PolarHBondContact N-O 2.83Å |
| 323 | T | 95.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 177.3 | -172.5 | -164.3 | 0 | 0 | 0 | 0 | 114 | V271 I272 F273 C274 V280 M297 W327 | V271-T323 HydrophobicContact CG1-CG2 3.76Å; I272-T323 PolarHBondContact O-N 2.84Å; F273-T323 WeakPolarHBondContact CA-O 3.49Å; F273-T323 HydrophobicContact CD1-CG2 3.81Å; F273-T323 HydrophobicContact CE1-CG2 3.61Å; F273-T323 HydrophobicContact CZ-CG2 4.32Å; C274-T323 PolarHBondContact N-O 3.09Å; V280-T323 WeakPolarHBondContact CG2-O 3.37Å; M297-T323 WeakPolarHBondContact O-CA 3.46Å; M297-T323 WeakPolarHBondContact O-CB 3.44Å; M297-T323 PolarHBondContact O-OG1 2.67Å; T323-W327 HydrophobicContact CG2-CB 3.35Å; T323-W327 HydrophobicContact CG2-CG 3.97Å; T323-W327 WeakPolarHBondContact OG1-CB 3.41Å |
| 324 | T | 93.4 | Very high | 83.4 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 9% | 0.086 | 16% | 0.158 | C | C | . | . | trans | -105 | 177.8 | 175 | 57 | 0 | 0 | 0 | 0 | 110.3 | C274 K277 V280 H298 L326 W327 | C274-T324 WeakPolarHBondContact O-CA 3.21Å; K277-T324 HydrophobicContact CG-CG2 4.21Å; V280-T324 HydrophobicContact CG2-CG2 3.6Å; H298-T324 HydrophobicContact CB-CG2 4.22Å; T324-L326 PolarHBondContact O-N 2.99Å; T324-W327 WeakPolarHBondContact O-CB 3.36Å; T324-W327 PolarHBondContact O-N 3.15Å | ||
| 325 | D | 87.5 | Confident | 83.2 | Confident | 25 Ų | 25 | 30.5 Ų | 30.5 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -57.6 | -13.6 | 176.2 | -70.1 | -56.2 | 0 | 0 | 0 | 115.3 | W327 A328 L350 R354 | D325-W327 PolarHBondContact O-N 3.27Å; D325-A328 HydrophobicContact CB-CB 4.42Å; D325-A328 WeakPolarHBondContact O-CB 3.27Å; D325-A328 PolarHBondContact O-N 3.16Å; D325-L350 HydrophobicContact CB-CD2 4.1Å; D325-R354 IonicContact OD1-CZ 2.67Å; D325-R354 IonicContact OD1-NE 3.49Å; D325-R354 PolarHBondContact OD1-NE 3.29Å; D325-R354 IonicContact OD1-NH2 3.88Å; D325-R354 PolarHBondContact OD1-NH2 3.39Å; D325-R354 IonicContact OD2-CZ 3.53Å; D325-R354 IonicContact OD2-NH2 2.76Å; D325-R354 PolarHBondContact OD2-NH2 3.28Å |
| 326 | L | 76.9 | Confident | 83.1 | Confident | 35 Ų | 35 | 27.5 Ų | 27.5 | 18% | 0.183 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -51.2 | -26.8 | 168 | -173.5 | 60 | 0 | 0 | 0 | 112.5 | T105 T324 | T105-L326 HydrophobicContact CG2-CD1 3.87Å; T324-L326 PolarHBondContact O-N 2.99Å |
| 327 | W | 77.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -104 | -4.7 | -179 | -107.4 | 73.1 | 0 | 0 | 0 | 115.3 | F273 M297 M310 F313 L321 T323 T324 D325 R329 I331 V333 R357 | F273-W327 HydrophobicContact CE1-CB 4.03Å; M297-W327 HydrophobicContact CE-CD2 4.17Å; M297-W327 HydrophobicContact CE-CG 4.4Å; M297-W327 HydrophobicContact CE-CZ2 3.75Å; M297-W327 PolarHBondContact SD-NE1 3.08Å; M310-W327 HydrophobicContact CE-CH2 3.18Å; M310-W327 HydrophobicContact CE-CZ2 3.36Å; M310-W327 HydrophobicContact CE-CZ3 4.44Å; M310-W327 HydrophobicContact CG-CH2 4.44Å; M310-W327 HydrophobicContact CG-CZ2 3.69Å; M310-W327 HydrophobicContact SD-CH2 3.1Å; M310-W327 WeakPolarHBondContact SD-CH2 3.39Å; M310-W327 HydrophobicContact SD-CZ2 2.83Å; M310-W327 WeakPolarHBondContact SD-CZ2 3.35Å; M310-W327 HydrophobicContact SD-CZ3 4.26Å; F313-W327 HydrophobicContact CE1-CZ3 4.48Å; L321-W327 HydrophobicContact CD2-CD2 3.92Å; L321-W327 HydrophobicContact CD2-CE3 3.78Å; L321-W327 HydrophobicContact CD2-CH2 4.42Å; L321-W327 HydrophobicContact CD2-CZ3 4.01Å; T323-W327 HydrophobicContact CG2-CB 3.35Å; T323-W327 HydrophobicContact CG2-CG 3.97Å; T323-W327 WeakPolarHBondContact OG1-CB 3.41Å; T324-W327 WeakPolarHBondContact O-CB 3.36Å; T324-W327 PolarHBondContact O-N 3.15Å; D325-W327 PolarHBondContact O-N 3.27Å; W327-R329 PolarHBondContact O-N 3.44Å; W327-I331 HydrophobicContact CD2-CD1 3.63Å; W327-I331 HydrophobicContact CE3-CB 4.39Å; W327-I331 HydrophobicContact CE3-CD1 4.22Å; W327-I331 HydrophobicContact CG-CD1 3.98Å; W327-I331 HydrophobicContact CH2-CB 3.58Å; W327-I331 HydrophobicContact CH2-CD1 3.93Å; W327-I331 HydrophobicContact CH2-CG1 4.31Å; W327-I331 HydrophobicContact CH2-CG2 3.06Å; W327-I331 HydrophobicContact CZ2-CB 3.78Å; W327-I331 HydrophobicContact CZ2-CD1 3.2Å; W327-I331 HydrophobicContact CZ2-CG1 3.98Å; W327-I331 HydrophobicContact CZ2-CG2 3.35Å; W327-I331 HydrophobicContact CZ3-CB 3.93Å; W327-I331 HydrophobicContact CZ3-CD1 4.4Å; W327-I331 HydrophobicContact CZ3-CG2 3.84Å; W327-I331 VanDerWaalsContact NE1-CD1 3.32Å; W327-V333 HydrophobicContact CH2-CG2 4.11Å; W327-V333 HydrophobicContact CZ3-CG2 4.23Å; W327-R357 WeakPolarHBondContact O-CD 3.38Å |
| 328 | A | 61.3 | Low | 83.1 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F273 D325 L350 H353 R354 R357 | F273-A328 HydrophobicContact CE1-CB 4.01Å; F273-A328 HydrophobicContact CZ-CB 4.25Å; D325-A328 HydrophobicContact CB-CB 4.42Å; D325-A328 WeakPolarHBondContact O-CB 3.27Å; D325-A328 PolarHBondContact O-N 3.16Å; A328-L350 HydrophobicContact CB-CD2 4.41Å; A328-H353 HydrophobicContact CB-CB 4.18Å; A328-H353 CarbonylContact O-C 3.51Å; A328-H353 WeakPolarHBondContact O-CB 3.47Å; A328-R354 HydrophobicContact CB-CG 3.65Å; A328-R357 PolarHBondContact O-NE 2.84Å; A328-R357 PolarHBondContact O-NH2 2.87Å |
| 329 | R | 69 | Low | 83.2 | Confident | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.008 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -123.5 | 147.4 | -168.6 | -59.5 | -169.3 | 165.5 | 123.1 | -28 | 113.5 | E178 D180 E181 D184 W327 I331 H353 | E178-R329 WeakPolarHBondContact OE2-CB 3.25Å; D180-R329 IonicContact OD2-NH2 3.1Å; E181-R329 VanDerWaalsContact CB-CD 3.47Å; E181-R329 IonicContact OE1-NH1 3.89Å; E181-R329 PolarHBondContact OE1-NH1 3.26Å; E181-R329 IonicContact OE2-CZ 3.44Å; E181-R329 IonicContact OE2-NH1 3.38Å; E181-R329 PolarHBondContact OE2-NH1 2.84Å; D184-R329 IonicContact OD2-CZ 2.7Å; D184-R329 IonicContact OD2-NH1 2.71Å; D184-R329 IonicContact OD2-NH2 3.74Å; D184-R329 PolarHBondContact OD2-NH2 3.07Å; W327-R329 PolarHBondContact O-N 3.44Å; R329-I331 PolarHBondContact O-N 3.32Å; R329-H353 HydrophobicContact CG-CB 3.81Å; R329-H353 PolarHBondContact NE-CD2 3.26Å; R329-H353 PolarHBondContact NE-CE1 3.06Å; R329-H353 PolarHBondContact NE-NE2 3.18Å |
| 330 | G | 60.9 | Low | 83.3 | Confident | 9 Ų | 9 | 15.2 Ų | 15.2 | 9% | 0.093 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 73.6 | -36.2 | 169 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q111 E178 R357 | Q111-G330 PolarHBondContact NE2-O 2.81Å; Q111-G330 PolarHBondContact OE1-O 2.93Å; E178-G330 WeakPolarHBondContact OE1-CA 3.42Å; E178-G330 PolarHBondContact OE1-N 3.21Å; E178-G330 PolarHBondContact OE2-N 3.08Å; G330-R357 VanDerWaalsContact C-NH1 3.31Å; G330-R357 VanDerWaalsContact N-NH1 3.13Å |
| 331 | I | 71.5 | Confident | 83.4 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | trans | -81.9 | 128.7 | -163.9 | -51.3 | 164.7 | 0 | 0 | 0 | 112.6 | E107 M310 W327 R329 R357 R360 | E107-I331 HydrophobicContact CB-CD1 3.63Å; E107-I331 HydrophobicContact CB-CG1 3.85Å; E107-I331 HydrophobicContact CG-CD1 4.08Å; M310-I331 HydrophobicContact CE-CG2 3.95Å; W327-I331 HydrophobicContact CD2-CD1 3.63Å; W327-I331 HydrophobicContact CE3-CB 4.39Å; W327-I331 HydrophobicContact CE3-CD1 4.22Å; W327-I331 HydrophobicContact CG-CD1 3.98Å; W327-I331 HydrophobicContact CH2-CB 3.58Å; W327-I331 HydrophobicContact CH2-CD1 3.93Å; W327-I331 HydrophobicContact CH2-CG1 4.31Å; W327-I331 HydrophobicContact CH2-CG2 3.06Å; W327-I331 HydrophobicContact CZ2-CB 3.78Å; W327-I331 HydrophobicContact CZ2-CD1 3.2Å; W327-I331 HydrophobicContact CZ2-CG1 3.98Å; W327-I331 HydrophobicContact CZ2-CG2 3.35Å; W327-I331 HydrophobicContact CZ3-CB 3.93Å; W327-I331 HydrophobicContact CZ3-CD1 4.4Å; W327-I331 HydrophobicContact CZ3-CG2 3.84Å; W327-I331 VanDerWaalsContact NE1-CD1 3.32Å; R329-I331 PolarHBondContact O-N 3.32Å; I331-R357 PolarHBondContact O-NH1 2.87Å; I331-R360 PolarHBondContact O-NH2 3.27Å | ||
| 332 | D | 71.9 | Confident | 83.5 | Confident | 36 Ų | 36 | 15.2 Ų | 15.2 | 19% | 0.193 | 8% | 0.08 | C | C | . | . | trans | -99.8 | 115.9 | -173.9 | -168.4 | 18.3 | 0 | 0 | 0 | 114.6 | R360 | D332-R360 WeakPolarHBondContact OD1-CD 3.11Å; D332-R360 IonicContact OD1-CZ 3.82Å; D332-R360 IonicContact OD1-NE 2.58Å; D332-R360 PolarHBondContact OD1-NE 2.99Å; D332-R360 IonicContact OD1-NH1 3.64Å; D332-R360 PolarHBondContact OD1-NH1 3.35Å | ||
| 333 | V | 79.2 | Confident | 83.5 | Confident | 5 Ų | 5 | 16 Ų | 16 | 3% | 0.03 | 8% | 0.084 | C | C | . | . | trans | -140.6 | 100 | 172.6 | -171.7 | 0 | 0 | 0 | 0 | 106 | M310 F313 R314 W327 Q335 V336 | M310-V333 HydrophobicContact CE-CG2 4.22Å; F313-V333 HydrophobicContact CD1-CB 4.48Å; F313-V333 HydrophobicContact CD1-CG1 4.11Å; F313-V333 HydrophobicContact CD1-CG2 3.9Å; F313-V333 HydrophobicContact CE1-CB 4.19Å; F313-V333 HydrophobicContact CE1-CG1 3.92Å; F313-V333 HydrophobicContact CE1-CG2 3.97Å; R314-V333 HydrophobicContact CG-CG2 4.07Å; W327-V333 HydrophobicContact CH2-CG2 4.11Å; W327-V333 HydrophobicContact CZ3-CG2 4.23Å; V333-Q335 PolarHBondContact O-N 3.06Å; V333-V336 HydrophobicContact CB-CG2 3.84Å; V333-V336 HydrophobicContact CG1-CG2 3.81Å; V333-V336 PolarHBondContact O-N 3.2Å | ||
| 334 | Q | 76.5 | Confident | 83.5 | Confident | 68 Ų | 68 | 16.5 Ų | 16.5 | 32% | 0.318 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -22.3 | -168.9 | -58 | -174.7 | -8.9 | 0 | 0 | 113.5 | V336 R363 | Q334-V336 VanDerWaalsContact C-N 3.29Å; Q334-R363 VanDerWaalsContact C-NH1 3.33Å; Q334-R363 VanDerWaalsContact CB-NH1 3.29Å; Q334-R363 PolarHBondContact O-NH1 3.02Å |
| 335 | Q | 83.9 | Confident | 83.5 | Confident | 98 Ų | 98 | 16 Ų | 16 | 46% | 0.458 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.1 | -176.1 | -65.6 | 79.4 | -3.9 | 0 | 0 | 112.7 | Q269 V333 S337 | Q269-Q335 HydrophobicContact CB-CB 4.45Å; Q269-Q335 HydrophobicContact CG-CB 4.08Å; Q269-Q335 PolarHBondContact N-O 2.9Å; V333-Q335 PolarHBondContact O-N 3.06Å; Q335-S337 PolarHBondContact O-N 2.85Å |
| 336 | V | 88.1 | Confident | 83.5 | Confident | 6 Ų | 6 | 20.7 Ų | 20.7 | 4% | 0.036 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 113.7 | 173.2 | 177.5 | 0 | 0 | 0 | 0 | 108.6 | Q269 V271 F313 V333 Q334 V339 S358 | Q269-V336 HydrophobicContact CB-CG2 4.17Å; Q269-V336 VanDerWaalsContact O-CA 3.27Å; Q269-V336 WeakPolarHBondContact O-CA 3.43Å; V271-V336 HydrophobicContact CG2-CG1 3.94Å; V271-V336 HydrophobicContact CG2-CG2 4.01Å; F313-V336 HydrophobicContact CE1-CG2 3.8Å; F313-V336 HydrophobicContact CZ-CG2 3.78Å; V333-V336 HydrophobicContact CB-CG2 3.84Å; V333-V336 HydrophobicContact CG1-CG2 3.81Å; V333-V336 PolarHBondContact O-N 3.2Å; Q334-V336 VanDerWaalsContact C-N 3.29Å; V336-V339 HydrophobicContact CG1-CG2 4.35Å; V336-S358 WeakPolarHBondContact O-CA 3.15Å |
| 337 | S | 89 | Confident | 83.9 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | -15.6 | 175 | 71.4 | 0 | 0 | 0 | 0 | 112.9 | T268 Q269 Q335 S358 G365 V366 V401 | T268-S337 VanDerWaalsContact CB-OG 3.25Å; T268-S337 WeakPolarHBondContact CB-OG 3.25Å; T268-S337 WeakPolarHBondContact CG2-OG 3.39Å; T268-S337 PolarHBondContact OG1-OG 2.95Å; Q269-S337 PolarHBondContact O-N 2.74Å; Q269-S337 VanDerWaalsContact O-N 3.13Å; Q335-S337 PolarHBondContact O-N 2.85Å; S337-S358 WeakPolarHBondContact O-CB 3.44Å; S337-G365 CarbonylContact O-C 3.55Å; S337-G365 VanDerWaalsContact O-CA 3.24Å; S337-G365 WeakPolarHBondContact O-CA 3.29Å; S337-V366 PolarHBondContact O-N 3.13Å; S337-V401 WeakPolarHBondContact OG-CG1 3.14Å |
| 338 | L | 91.8 | Very high | 84.3 | Confident | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 130.6 | -177.3 | -179.4 | 56.9 | 0 | 0 | 0 | 111.5 | T264 L265 S270 V271 V366 I368 V401 | T264-L338 HydrophobicContact CG2-CD2 4.4Å; L265-L338 HydrophobicContact CD2-CD2 3.26Å; L265-L338 HydrophobicContact CD2-CG 3.67Å; L265-L338 HydrophobicContact CG-CD2 4.12Å; S270-L338 VanDerWaalsContact CA-O 3.25Å; S270-L338 WeakPolarHBondContact CA-O 3.5Å; V271-L338 PolarHBondContact N-O 2.65Å; V271-L338 VanDerWaalsContact N-O 3.07Å; L338-V366 CarbonylContact C-O 3.59Å; L338-V366 WeakPolarHBondContact CA-O 3.5Å; L338-V366 HydrophobicContact CD1-CB 3.67Å; L338-V366 HydrophobicContact CD1-CG1 3.62Å; L338-I368 HydrophobicContact CD1-CD1 3.81Å; L338-I368 HydrophobicContact CD1-CG1 3.98Å; L338-V401 HydrophobicContact CD2-CG2 4.46Å |
| 339 | V | 93.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.7 | 174.9 | 175.2 | 0 | 0 | 0 | 0 | 108.7 | V271 F273 V336 R357 V366 A367 I368 | V271-V339 CarbonylContact O-C 3.55Å; V271-V339 WeakPolarHBondContact O-CA 3.48Å; F273-V339 HydrophobicContact CD2-CG1 3.8Å; F273-V339 HydrophobicContact CE2-CG1 3.87Å; V336-V339 HydrophobicContact CG1-CG2 4.35Å; V339-R357 HydrophobicContact CG2-CB 4.08Å; V339-V366 PolarHBondContact N-O 3.36Å; V339-A367 CarbonylContact O-C 3.57Å; V339-A367 VanDerWaalsContact O-CA 3.28Å; V339-A367 WeakPolarHBondContact O-CA 3.29Å; V339-I368 PolarHBondContact O-N 3.26Å |
| 340 | I | 95.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.2 | 170.4 | -63.4 | -174.2 | 0 | 0 | 0 | 108.9 | L258 L261 L265 V271 I272 F273 Y342 I368 F370 | L258-I340 HydrophobicContact CD1-CD1 3.49Å; L258-I340 VanDerWaalsContact CD1-CD1 3.49Å; L261-I340 HydrophobicContact CD1-CD1 4.33Å; L265-I340 HydrophobicContact CD1-CD1 3.68Å; L265-I340 HydrophobicContact CD2-CD1 3.42Å; L265-I340 VanDerWaalsContact CD2-CD1 3.42Å; L265-I340 HydrophobicContact CD2-CG1 3.9Å; L265-I340 HydrophobicContact CG-CD1 4.05Å; V271-I340 PolarHBondContact O-N 3.22Å; I272-I340 CarbonylContact C-O 3.52Å; I272-I340 WeakPolarHBondContact CA-O 3.44Å; I272-I340 HydrophobicContact CG1-CB 4.19Å; I272-I340 HydrophobicContact CG2-CB 4.35Å; I272-I340 HydrophobicContact CG2-CG2 4.3Å; F273-I340 PolarHBondContact N-O 3Å; I340-Y342 PolarHBondContact O-N 3.28Å; I340-I368 CarbonylContact C-O 3.16Å; I340-I368 WeakPolarHBondContact CA-O 3.5Å; I340-I368 HydrophobicContact CG1-CB 4.39Å; I340-F370 HydrophobicContact CG2-CD2 4.4Å; I340-F370 HydrophobicContact CG2-CE1 4.42Å; I340-F370 HydrophobicContact CG2-CE2 4.15Å; I340-F370 HydrophobicContact CG2-CZ 4.16Å |
| 341 | N | 97.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 88.3 | 162.9 | -71.7 | -41.3 | 0 | 0 | 0 | 108 | D343 R354 I368 N369 F370 | N341-D343 PolarHBondContact O-N 3.45Å; N341-R354 WeakPolarHBondContact OD1-CD 3.48Å; N341-R354 PolarHBondContact OD1-NH1 3.17Å; N341-I368 PolarHBondContact N-O 3.37Å; N341-N369 WeakPolarHBondContact CB-OD1 3.34Å; N341-N369 PolarHBondContact ND2-OD1 2.85Å; N341-F370 PolarHBondContact O-N 3.26Å |
| 342 | Y | 97.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -63 | -41 | 176 | -167.7 | -80.9 | 0 | 0 | 0 | 109.6 | K254 F255 L258 I272 F273 K279 W282 L283 I340 F370 | K254-Y342 HydrophobicContact CB-CE1 3.88Å; K254-Y342 HydrophobicContact CB-CE2 3.78Å; K254-Y342 VanDerWaalsContact CB-CZ 3.42Å; K254-Y342 WeakPolarHBondContact CB-OH 3.45Å; K254-Y342 HydrophobicContact CD-CD1 4.13Å; K254-Y342 HydrophobicContact CD-CE1 3.89Å; K254-Y342 WeakPolarHBondContact CD-O 3.48Å; K254-Y342 WeakPolarHBondContact CE-O 3.36Å; K254-Y342 PolarHBondContact NZ-O 2.95Å; F255-Y342 PolarHBondContact N-OH 3.23Å; L258-Y342 HydrophobicContact CB-CE2 4.35Å; L258-Y342 HydrophobicContact CD2-CD2 4.1Å; L258-Y342 HydrophobicContact CD2-CE2 4.01Å; I272-Y342 HydrophobicContact CG2-CD2 4.45Å; F273-Y342 VanDerWaalsContact O-CB 3.32Å; F273-Y342 WeakPolarHBondContact O-CB 3.32Å; F273-Y342 PolarHBondContact O-N 3.28Å; K279-Y342 VanDerWaalsContact CE-CE1 3.49Å; W282-Y342 HydrophobicContact CZ3-CE1 4.36Å; L283-Y342 HydrophobicContact CD1-CD2 4.44Å; L283-Y342 HydrophobicContact CD1-CE2 3.81Å; L283-Y342 HydrophobicContact CD2-CD2 3.76Å; L283-Y342 HydrophobicContact CD2-CE2 3.97Å; L283-Y342 HydrophobicContact CD2-CG 4.05Å; I340-Y342 PolarHBondContact O-N 3.28Å; Y342-F370 AromaticContact CD2-CD2 3.83Å; Y342-F370 HydrophobicContact CD2-CD2 3.83Å; Y342-F370 AromaticContact CD2-CE2 3.87Å; Y342-F370 HydrophobicContact CD2-CE2 3.87Å; Y342-F370 HydrophobicContact CE2-CD2 4.2Å; Y342-F370 HydrophobicContact CE2-CE2 4.14Å; Y342-F370 HydrophobicContact CG-CD2 4.28Å |
| 343 | D | 96 | Very high | 88.6 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 9% | 0.086 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -109.3 | 138.7 | 162.8 | -62.4 | -37.2 | 0 | 0 | 0 | 109.2 | K254 F273 C274 N275 K279 N341 R354 | K254-D343 IonicContact NZ-OD1 2.82Å; F273-D343 PolarHBondContact O-N 3.39Å; C274-D343 WeakPolarHBondContact CA-OD2 3.27Å; N275-D343 HydrophobicContact CB-CB 4.17Å; N275-D343 VanDerWaalsContact CG-CB 3.48Å; N275-D343 PolarHBondContact N-OD2 3.43Å; N275-D343 WeakPolarHBondContact OD1-CB 3.37Å; K279-D343 WeakPolarHBondContact CD-OD2 3.18Å; K279-D343 IonicContact NZ-OD1 2.66Å; K279-D343 PolarHBondContact NZ-OD1 3Å; K279-D343 IonicContact NZ-OD2 3.63Å; N341-D343 PolarHBondContact O-N 3.45Å; D343-R354 PolarHBondContact O-NH1 3.29Å |
| 344 | L | 94.8 | Very high | 89.1 | Confident | 12 Ų | 12 | 26.3 Ų | 26.3 | 6% | 0.063 | 13% | 0.129 | C | C | . | . | trans | -62.9 | 142.9 | 168.1 | -81.7 | 178.7 | 0 | 0 | 0 | 110.6 | N275 N369 V371 D375 L379 | N275-L344 PolarHBondContact ND2-O 3.11Å; N275-L344 PolarHBondContact OD1-O 3.38Å; L344-N369 HydrophobicContact CD2-CB 4.03Å; L344-V371 HydrophobicContact CD1-CB 4.49Å; L344-V371 HydrophobicContact CD1-CG1 3.54Å; L344-V371 HydrophobicContact CD2-CG1 4.35Å; L344-V371 HydrophobicContact CG-CG1 4.02Å; L344-D375 HydrophobicContact CD1-CB 3.86Å; L344-L379 HydrophobicContact CD1-CB 4.2Å; L344-L379 HydrophobicContact CD1-CD1 4.44Å; L344-L379 HydrophobicContact CD2-CD1 3.98Å | ||
| 345 | P | 92.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.026 | 11% | 0.114 | C | C | . | . | trans | -63.3 | 150.9 | 179.1 | 27.7 | -34.2 | 0 | 0 | 0 | 111.2 | N347 L350 Y351 I382 | P345-N347 PolarHBondContact O-N 3.09Å; P345-L350 HydrophobicContact CB-CB 3.72Å; P345-Y351 HydrophobicContact CG-CD2 4Å; P345-Y351 HydrophobicContact CG-CG 4.37Å; P345-I382 HydrophobicContact CG-CD1 4.41Å | ||
| 346 | N | 87.6 | Confident | 89.8 | Confident | 123 Ų | 123 | 18.4 Ų | 18.4 | 66% | 0.658 | 9% | 0.092 | S | C | * | . | S | Bend | trans | -73.4 | -12.9 | -177 | -61.5 | -43.8 | 0 | 0 | 0 | 113.8 | N275 | N275-N346 PolarHBondContact ND2-OD1 2.91Š|
| 347 | N | 85.4 | Confident | 89.4 | Confident | 57 Ų | 57 | 18.5 Ų | 18.5 | 31% | 0.305 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -145.7 | 167.2 | 175.3 | 66.8 | 37.6 | 0 | 0 | 0 | 110.7 | P345 E349 L350 | P345-N347 PolarHBondContact O-N 3.09Å; N347-E349 PolarHBondContact OD1-N 3.2Å; N347-L350 WeakPolarHBondContact OD1-CB 3.38Å; N347-L350 WeakPolarHBondContact OD1-CG 3.38Å; N347-L350 PolarHBondContact OD1-N 3.36Å |
| 348 | R | 85.8 | Confident | 88.9 | Confident | 82 Ų | 82 | 17.8 Ų | 17.8 | 31% | 0.309 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -70.3 | -36.6 | -174.7 | -58.7 | 178.9 | -172.8 | 160.6 | 0.9 | 111.4 | Y351 D381 I382 Y385 Y386 | R348-Y351 VanDerWaalsContact O-CB 3.26Å; R348-Y351 WeakPolarHBondContact O-CB 3.27Å; R348-Y351 PolarHBondContact O-N 3.21Å; R348-D381 IonicContact CZ-OD1 3.47Å; R348-D381 IonicContact CZ-OD2 3.57Å; R348-D381 IonicContact NE-OD1 2.72Å; R348-D381 IonicContact NE-OD2 2.67Å; R348-D381 PolarHBondContact NE-OD2 3.22Å; R348-D381 IonicContact NH2-OD1 3.56Å; R348-D381 PolarHBondContact NH2-OD1 3.35Å; R348-D381 IonicContact NH2-OD2 2.63Å; R348-D381 PolarHBondContact NH2-OD2 2.8Å; R348-I382 HydrophobicContact CG-CG1 4.21Å; R348-Y385 HydrophobicContact CB-CD1 4.36Å; R348-Y386 HydrophobicContact CB-CE2 3.97Å; R348-Y386 VanDerWaalsContact O-CE2 3.26Å; R348-Y386 WeakPolarHBondContact O-CE2 3.43Å; R348-Y386 PolarHBondContact O-OH 3.4Å |
| 349 | E | 81.6 | Confident | 88 | Confident | 49 Ų | 49 | 17.8 Ų | 17.8 | 23% | 0.229 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -45.9 | -176.8 | -68.9 | 70.1 | -155.1 | 0 | 0 | 110.7 | T210 N347 Y351 I352 H353 Y386 | T210-E349 HydrophobicContact CG2-CB 3.99Å; T210-E349 HydrophobicContact CG2-CG 3.7Å; N347-E349 PolarHBondContact OD1-N 3.2Å; E349-Y351 PolarHBondContact O-N 2.62Å; E349-I352 PolarHBondContact O-N 2.58Å; E349-H353 PolarHBondContact O-CD2 3.32Å; E349-H353 PolarHBondContact O-N 3.38Å; E349-Y386 WeakPolarHBondContact CA-OH 3.49Å; E349-Y386 PolarHBondContact N-OH 3.43Å |
| 350 | L | 86.7 | Confident | 86.9 | Confident | 14 Ų | 14 | 18.4 Ų | 18.4 | 7% | 0.073 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.7 | -31 | 177.1 | -77.8 | 172.2 | 0 | 0 | 0 | 112.6 | D325 A328 P345 N347 H353 R354 | D325-L350 HydrophobicContact CB-CD2 4.1Å; A328-L350 HydrophobicContact CB-CD2 4.41Å; P345-L350 HydrophobicContact CB-CB 3.72Å; N347-L350 WeakPolarHBondContact OD1-CB 3.38Å; N347-L350 WeakPolarHBondContact OD1-CG 3.38Å; N347-L350 PolarHBondContact OD1-N 3.36Å; L350-H353 PolarHBondContact O-N 3.08Å; L350-R354 WeakPolarHBondContact O-CG 3.38Å; L350-R354 PolarHBondContact O-N 3.02Å |
| 351 | Y | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.3 | -53.5 | 176.8 | -177.5 | -100 | 0 | 0 | 0 | 112.2 | Q243 P345 R348 E349 H353 R354 I355 N369 I382 I390 | Q243-Y351 PolarHBondContact OE1-OH 3.49Å; P345-Y351 HydrophobicContact CG-CD2 4Å; P345-Y351 HydrophobicContact CG-CG 4.37Å; R348-Y351 VanDerWaalsContact O-CB 3.26Å; R348-Y351 WeakPolarHBondContact O-CB 3.27Å; R348-Y351 PolarHBondContact O-N 3.21Å; E349-Y351 PolarHBondContact O-N 2.62Å; Y351-H353 PolarHBondContact O-N 3.29Å; Y351-R354 PolarHBondContact O-N 3.2Å; Y351-I355 HydrophobicContact CD1-CD1 4.18Å; Y351-I355 HydrophobicContact CD2-CG2 4.45Å; Y351-I355 HydrophobicContact CE1-CD1 3.66Å; Y351-I355 HydrophobicContact CE1-CG1 4.48Å; Y351-I355 HydrophobicContact CE1-CG2 4.28Å; Y351-I355 HydrophobicContact CE2-CG2 4.07Å; Y351-I355 WeakPolarHBondContact O-CG1 3.2Å; Y351-I355 PolarHBondContact O-N 3.49Å; Y351-N369 WeakPolarHBondContact CE2-OD1 3.03Å; Y351-N369 PolarHBondContact OH-ND2 2.77Å; Y351-I382 HydrophobicContact CD1-CG2 3.37Å; Y351-I382 HydrophobicContact CD2-CD1 4.04Å; Y351-I382 HydrophobicContact CD2-CG2 4.16Å; Y351-I382 HydrophobicContact CE1-CG2 3.69Å; Y351-I382 HydrophobicContact CE2-CG2 4.42Å; Y351-I382 HydrophobicContact CG-CD1 4.14Å; Y351-I382 HydrophobicContact CG-CG2 3.63Å; Y351-I390 HydrophobicContact CE1-CD1 4.4Å; Y351-I390 WeakPolarHBondContact OH-CD1 3.45Å |
| 352 | I | 84.7 | Confident | 84.2 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -36.3 | 178.9 | -66.2 | -64.5 | 0 | 0 | 0 | 111.2 | T237 E349 I355 G356 Y386 | T237-I352 HydrophobicContact CG2-CD1 4.12Å; E349-I352 PolarHBondContact O-N 2.58Å; I352-I355 HydrophobicContact CD1-CD1 4.4Å; I352-G356 WeakPolarHBondContact O-CA 3.33Å; I352-G356 PolarHBondContact O-N 2.95Å; I352-Y386 HydrophobicContact CD1-CD1 4.15Å; I352-Y386 HydrophobicContact CD1-CD2 4.09Å; I352-Y386 HydrophobicContact CD1-CE1 4.25Å; I352-Y386 HydrophobicContact CD1-CE2 4.17Å; I352-Y386 HydrophobicContact CD1-CG 4.07Å; I352-Y386 HydrophobicContact CG1-CD1 4.05Å; I352-Y386 HydrophobicContact CG1-CD2 4.08Å; I352-Y386 HydrophobicContact CG1-CE1 3.63Å; I352-Y386 HydrophobicContact CG1-CE2 3.64Å; I352-Y386 HydrophobicContact CG1-CG 4.26Å |
| 353 | H | 82.9 | Confident | 83.2 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -48.3 | 177 | -71.8 | -67.4 | 0 | 0 | 0 | 112.9 | D180 A209 A328 R329 E349 L350 Y351 G356 R357 | D180-H353 IonicContact OD2-CE1 2.75Å; D180-H353 IonicContact OD2-NE2 3.32Å; D180-H353 PolarHBondContact OD2-NE2 2.9Å; A209-H353 WeakPolarHBondContact CB-CE1 3.33Å; A328-H353 HydrophobicContact CB-CB 4.18Å; A328-H353 CarbonylContact O-C 3.51Å; A328-H353 WeakPolarHBondContact O-CB 3.47Å; R329-H353 HydrophobicContact CG-CB 3.81Å; R329-H353 PolarHBondContact NE-CD2 3.26Å; R329-H353 PolarHBondContact NE-CE1 3.06Å; R329-H353 PolarHBondContact NE-NE2 3.18Å; E349-H353 PolarHBondContact O-CD2 3.32Å; E349-H353 PolarHBondContact O-N 3.38Å; L350-H353 PolarHBondContact O-N 3.08Å; Y351-H353 PolarHBondContact O-N 3.29Å; H353-G356 PolarHBondContact O-N 3.22Å; H353-R357 PolarHBondContact O-N 2.66Å; H353-R357 PolarHBondContact O-NE 3.27Å |
| 354 | R | 90.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -54.5 | 178 | -73.6 | -173.2 | -176.2 | -174.4 | 2 | 111.3 | F273 N275 D325 A328 N341 D343 L350 Y351 G356 R357 | F273-R354 HydrophobicContact CB-CG 4.5Å; F273-R354 HydrophobicContact CD1-CG 4.06Å; F273-R354 HydrophobicContact CD2-CB 3.78Å; F273-R354 HydrophobicContact CD2-CG 3.71Å; F273-R354 HydrophobicContact CE1-CG 4.17Å; F273-R354 HydrophobicContact CE2-CB 3.73Å; F273-R354 HydrophobicContact CE2-CG 3.82Å; F273-R354 HydrophobicContact CG-CB 4.41Å; F273-R354 HydrophobicContact CG-CG 3.83Å; F273-R354 HydrophobicContact CZ-CB 4.32Å; F273-R354 HydrophobicContact CZ-CG 4.06Å; N275-R354 PolarHBondContact OD1-NH2 2.96Å; D325-R354 IonicContact OD1-CZ 2.67Å; D325-R354 IonicContact OD1-NE 3.49Å; D325-R354 PolarHBondContact OD1-NE 3.29Å; D325-R354 IonicContact OD1-NH2 3.88Å; D325-R354 PolarHBondContact OD1-NH2 3.39Å; D325-R354 IonicContact OD2-CZ 3.53Å; D325-R354 IonicContact OD2-NH2 2.76Å; D325-R354 PolarHBondContact OD2-NH2 3.28Å; A328-R354 HydrophobicContact CB-CG 3.65Å; N341-R354 WeakPolarHBondContact OD1-CD 3.48Å; N341-R354 PolarHBondContact OD1-NH1 3.17Å; D343-R354 PolarHBondContact O-NH1 3.29Å; L350-R354 WeakPolarHBondContact O-CG 3.38Å; L350-R354 PolarHBondContact O-N 3.02Å; Y351-R354 PolarHBondContact O-N 3.2Å; R354-G356 VanDerWaalsContact C-N 3.3Å; R354-G356 PolarHBondContact O-N 3.41Å; R354-R357 WeakPolarHBondContact O-CB 3.43Å; R354-R357 WeakPolarHBondContact O-CG 3.47Å; R354-R357 PolarHBondContact O-N 2.94Å; R354-R357 VanDerWaalsContact O-N 3.14Å |
| 355 | I | 89.3 | Confident | 82.4 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.9 | -36.1 | -177.3 | 71.8 | 170.9 | 0 | 0 | 0 | 111 | I241 Q243 Y351 I352 R357 S358 A367 | I241-I355 HydrophobicContact CD1-CG1 4.44Å; I241-I355 VanDerWaalsContact CD1-O 3.26Å; I241-I355 WeakPolarHBondContact CD1-O 3.42Å; Q243-I355 HydrophobicContact CG-CD1 4.23Å; Y351-I355 HydrophobicContact CD1-CD1 4.18Å; Y351-I355 HydrophobicContact CD2-CG2 4.45Å; Y351-I355 HydrophobicContact CE1-CD1 3.66Å; Y351-I355 HydrophobicContact CE1-CG1 4.48Å; Y351-I355 HydrophobicContact CE1-CG2 4.28Å; Y351-I355 HydrophobicContact CE2-CG2 4.07Å; Y351-I355 WeakPolarHBondContact O-CG1 3.2Å; Y351-I355 PolarHBondContact O-N 3.49Å; I352-I355 HydrophobicContact CD1-CD1 4.4Å; I355-R357 PolarHBondContact O-N 3.08Å; I355-S358 PolarHBondContact O-N 2.97Å; I355-S358 PolarHBondContact O-OG 3.47Å; I355-S358 VanDerWaalsContact O-OG 3.05Å; I355-A367 HydrophobicContact CB-CB 3.88Å; I355-A367 HydrophobicContact CG2-CB 3.5Å; I355-A367 VanDerWaalsContact CG2-CB 3.5Å |
| 356 | G | 83.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 8.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L238 I352 H353 R354 S358 | L238-G356 VanDerWaalsContact CD1-CA 3.41Å; I352-G356 WeakPolarHBondContact O-CA 3.33Å; I352-G356 PolarHBondContact O-N 2.95Å; H353-G356 PolarHBondContact O-N 3.22Å; R354-G356 VanDerWaalsContact C-N 3.3Å; R354-G356 PolarHBondContact O-N 3.41Å; G356-S358 CarbonylContact C-O 3.26Å |
| 357 | R | 80.9 | Confident | 82.6 | Confident | 7 Ų | 7 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -34.1 | 161.8 | -66 | -51.5 | 92.1 | 177.5 | 8.3 | 111.6 | S74 F273 W327 A328 G330 I331 V339 H353 R354 I355 R360 | S74-R357 PolarHBondContact OG-NH2 3.1Å; S74-R357 VanDerWaalsContact OG-NH2 3.12Å; F273-R357 HydrophobicContact CE2-CG 4.24Å; F273-R357 HydrophobicContact CZ-CG 3.98Å; W327-R357 WeakPolarHBondContact O-CD 3.38Å; A328-R357 PolarHBondContact O-NE 2.84Å; A328-R357 PolarHBondContact O-NH2 2.87Å; G330-R357 VanDerWaalsContact C-NH1 3.31Å; G330-R357 VanDerWaalsContact N-NH1 3.13Å; I331-R357 PolarHBondContact O-NH1 2.87Å; V339-R357 HydrophobicContact CG2-CB 4.08Å; H353-R357 PolarHBondContact O-N 2.66Å; H353-R357 PolarHBondContact O-NE 3.27Å; R354-R357 WeakPolarHBondContact O-CB 3.43Å; R354-R357 WeakPolarHBondContact O-CG 3.47Å; R354-R357 PolarHBondContact O-N 2.94Å; R354-R357 VanDerWaalsContact O-N 3.14Å; I355-R357 PolarHBondContact O-N 3.08Å; R357-R360 PolarHBondContact O-NE 3.05Å; R357-R360 VanDerWaalsContact O-NE 3.15Å |
| 358 | S | 79 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -87.5 | 174.4 | 168.3 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | V336 S337 I355 G356 R360 | V336-S358 WeakPolarHBondContact O-CA 3.15Å; S337-S358 WeakPolarHBondContact O-CB 3.44Å; I355-S358 PolarHBondContact O-N 2.97Å; I355-S358 PolarHBondContact O-OG 3.47Å; I355-S358 VanDerWaalsContact O-OG 3.05Å; G356-S358 CarbonylContact C-O 3.26Å; S358-R360 VanDerWaalsContact C-N 3.31Å; S358-R360 PolarHBondContact O-N 2.99Å |
| 359 | G | 72.2 | Confident | 83.6 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 66.3 | 26 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R363 | G359-R363 CarbonylContact C-O 3.55Å; G359-R363 WeakPolarHBondContact CA-O 3.49Å |
| 360 | R | 70.9 | Confident | 84.4 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 5% | 0.045 | 13% | 0.125 | C | C | . | . | G | 310 helix | trans | -65.6 | 143.4 | -176.9 | -68.7 | 176.8 | 176.9 | -100 | -15.3 | 112.3 | I331 D332 R357 S358 G362 R363 | I331-R360 PolarHBondContact O-NH2 3.27Å; D332-R360 WeakPolarHBondContact OD1-CD 3.11Å; D332-R360 IonicContact OD1-CZ 3.82Å; D332-R360 IonicContact OD1-NE 2.58Å; D332-R360 PolarHBondContact OD1-NE 2.99Å; D332-R360 IonicContact OD1-NH1 3.64Å; D332-R360 PolarHBondContact OD1-NH1 3.35Å; R357-R360 PolarHBondContact O-NE 3.05Å; R357-R360 VanDerWaalsContact O-NE 3.15Å; S358-R360 VanDerWaalsContact C-N 3.31Å; S358-R360 PolarHBondContact O-N 2.99Å; R360-G362 PolarHBondContact O-N 3.09Å; R360-R363 VanDerWaalsContact O-CB 3.29Å; R360-R363 WeakPolarHBondContact O-CB 3.18Å; R360-R363 VanDerWaalsContact O-CG 3.25Å; R360-R363 WeakPolarHBondContact O-CG 3.48Å; R360-R363 PolarHBondContact O-N 3.35Å |
| 361 | F | 67.2 | Low | 84.8 | Confident | 95 Ų | 95 | 23.5 Ų | 23.5 | 42% | 0.417 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | 51.8 | 37.4 | 179.1 | -62 | -80.4 | 0 | 0 | 0 | 113.3 | G75 R363 | G75-F361 PolarHBondContact O-N 3.22Å; F361-R363 VanDerWaalsContact C-N 3.28Å; F361-R363 PolarHBondContact O-N 3.1Å |
| 362 | G | 68.9 | Low | 84.9 | Confident | 72 Ų | 72 | 26.5 Ų | 26.5 | 74% | 0.742 | 13% | 0.134 | S | C | * | . | G | 310 helix | trans | 77.6 | 7.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R360 | R360-G362 PolarHBondContact O-N 3.09Š|
| 363 | R | 76.9 | Confident | 85 | Confident | 116 Ų | 116 | 30.7 Ų | 30.7 | 44% | 0.438 | 16% | 0.161 | S | C | . | . | trans | -61.3 | 155.8 | 169.4 | -69.7 | 179.8 | -174.9 | 177.9 | 5.7 | 110 | Q334 G359 R360 F361 | Q334-R363 VanDerWaalsContact C-NH1 3.33Å; Q334-R363 VanDerWaalsContact CB-NH1 3.29Å; Q334-R363 PolarHBondContact O-NH1 3.02Å; G359-R363 CarbonylContact C-O 3.55Å; G359-R363 WeakPolarHBondContact CA-O 3.49Å; R360-R363 VanDerWaalsContact O-CB 3.29Å; R360-R363 WeakPolarHBondContact O-CB 3.18Å; R360-R363 VanDerWaalsContact O-CG 3.25Å; R360-R363 WeakPolarHBondContact O-CG 3.48Å; R360-R363 PolarHBondContact O-N 3.35Å; F361-R363 VanDerWaalsContact C-N 3.28Å; F361-R363 PolarHBondContact O-N 3.1Å | ||
| 364 | K | 85 | Confident | 85.2 | Confident | 174 Ų | 174 | 37.3 Ų | 37.3 | 76% | 0.757 | 20% | 0.196 | S | C | * | . | trans | -72.3 | 142.7 | 170 | -64.8 | -176.7 | -178.4 | 177.9 | 0 | 109.6 | G240 | G240-K364 CarbonylContact O-C 3.57Å; G240-K364 VanDerWaalsContact O-CA 3.32Å; G240-K364 WeakPolarHBondContact O-CA 3.26Å | ||
| 365 | G | 88.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 163.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G240 I241 K242 S337 | G240-G365 PolarHBondContact O-N 3.48Å; I241-G365 CarbonylContact C-O 3.58Å; I241-G365 WeakPolarHBondContact CA-O 3.49Å; K242-G365 PolarHBondContact N-O 2.74Å; S337-G365 CarbonylContact O-C 3.55Å; S337-G365 VanDerWaalsContact O-CA 3.24Å; S337-G365 WeakPolarHBondContact O-CA 3.29Å |
| 366 | V | 91.5 | Very high | 85 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 138 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | K242 F244 S337 L338 V339 I368 L400 V401 | K242-V366 CarbonylContact O-C 3.57Å; K242-V366 WeakPolarHBondContact O-CA 3.35Å; F244-V366 HydrophobicContact CD2-CG1 3.83Å; F244-V366 HydrophobicContact CE2-CG1 4Å; S337-V366 PolarHBondContact O-N 3.13Å; L338-V366 CarbonylContact C-O 3.59Å; L338-V366 WeakPolarHBondContact CA-O 3.5Å; L338-V366 HydrophobicContact CD1-CB 3.67Å; L338-V366 HydrophobicContact CD1-CG1 3.62Å; V339-V366 PolarHBondContact N-O 3.36Å; V366-I368 HydrophobicContact CG1-CD1 4.44Å; V366-I368 HydrophobicContact CG1-CG1 4Å; V366-L400 HydrophobicContact CG2-CB 4.18Å; V366-L400 WeakPolarHBondContact CG2-O 3.4Å; V366-V401 HydrophobicContact CG2-CG2 4.34Å |
| 367 | A | 93.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I241 K242 Q243 F244 V339 I355 | I241-A367 HydrophobicContact CG2-CB 4Å; K242-A367 PolarHBondContact O-N 3.41Å; Q243-A367 WeakPolarHBondContact CA-O 3.15Å; Q243-A367 HydrophobicContact CG-CB 4.27Å; F244-A367 PolarHBondContact N-O 3.17Å; V339-A367 CarbonylContact O-C 3.57Å; V339-A367 VanDerWaalsContact O-CA 3.28Å; V339-A367 WeakPolarHBondContact O-CA 3.29Å; I355-A367 HydrophobicContact CB-CB 3.88Å; I355-A367 HydrophobicContact CG2-CB 3.5Å; I355-A367 VanDerWaalsContact CG2-CB 3.5Å |
| 368 | I | 95.2 | Very high | 85.8 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.4 | 178.9 | -55.9 | 175.4 | 0 | 0 | 0 | 108.6 | F244 V246 L261 L338 V339 I340 N341 V366 F370 M393 | F244-I368 WeakPolarHBondContact O-CA 3.43Å; V246-I368 HydrophobicContact CG2-CG2 3.89Å; L261-I368 HydrophobicContact CD1-CD1 4.03Å; L261-I368 HydrophobicContact CD1-CG2 4.35Å; L261-I368 HydrophobicContact CD2-CD1 4.41Å; L338-I368 HydrophobicContact CD1-CD1 3.81Å; L338-I368 HydrophobicContact CD1-CG1 3.98Å; V339-I368 PolarHBondContact O-N 3.26Å; I340-I368 CarbonylContact C-O 3.16Å; I340-I368 WeakPolarHBondContact CA-O 3.5Å; I340-I368 HydrophobicContact CG1-CB 4.39Å; N341-I368 PolarHBondContact N-O 3.37Å; V366-I368 HydrophobicContact CG1-CD1 4.44Å; V366-I368 HydrophobicContact CG1-CG1 4Å; I368-F370 HydrophobicContact CG2-CD1 4.19Å; I368-F370 HydrophobicContact CG2-CE1 3.92Å; I368-M393 HydrophobicContact CD1-SD 3.97Å; I368-M393 HydrophobicContact CG2-SD 4.13Å |
| 369 | N | 96.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 119.4 | -177.9 | -61.4 | -70.8 | 0 | 0 | 0 | 110.7 | F244 F245 V246 N341 L344 Y351 V371 L379 | F244-N369 WeakPolarHBondContact O-CB 3.27Å; F244-N369 PolarHBondContact O-N 3.42Å; F244-N369 PolarHBondContact O-ND2 3.29Å; F245-N369 CarbonylContact C-O 3.56Å; F245-N369 WeakPolarHBondContact CA-O 3.3Å; F245-N369 HydrophobicContact CB-CB 4.11Å; V246-N369 PolarHBondContact N-O 2.84Å; N341-N369 WeakPolarHBondContact CB-OD1 3.34Å; N341-N369 PolarHBondContact ND2-OD1 2.85Å; L344-N369 HydrophobicContact CD2-CB 4.03Å; Y351-N369 WeakPolarHBondContact CE2-OD1 3.03Å; Y351-N369 PolarHBondContact OH-ND2 2.77Å; N369-V371 HydrophobicContact CB-CG1 4.16Å; N369-V371 PolarHBondContact O-N 2.95Å; N369-L379 HydrophobicContact CB-CD1 4.13Å |
| 370 | F | 97 | Very high | 87.4 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 112.2 | 171.6 | -67.9 | -8.8 | 0 | 0 | 0 | 109.9 | V246 K254 T257 L258 L261 I340 N341 Y342 I368 | V246-F370 HydrophobicContact CB-CD1 4.06Å; V246-F370 HydrophobicContact CB-CE1 4.34Å; V246-F370 HydrophobicContact CG2-CD1 4.31Å; V246-F370 HydrophobicContact CG2-CE1 4.21Å; K254-F370 HydrophobicContact CB-CD2 3.78Å; K254-F370 HydrophobicContact CB-CE2 4.32Å; K254-F370 HydrophobicContact CD-CB 3.84Å; K254-F370 HydrophobicContact CD-CD2 4.21Å; K254-F370 HydrophobicContact CG-CB 3.99Å; K254-F370 HydrophobicContact CG-CD2 3.97Å; K254-F370 HydrophobicContact CG-CG 4.35Å; K254-F370 PolarHBondContact NZ-O 3.46Å; K254-F370 WeakPolarHBondContact O-CE2 3.2Å; T257-F370 HydrophobicContact CG2-CD1 4.39Å; T257-F370 HydrophobicContact CG2-CE1 3.54Å; T257-F370 HydrophobicContact CG2-CE2 4.48Å; T257-F370 HydrophobicContact CG2-CZ 3.59Å; L258-F370 HydrophobicContact CB-CE2 4.02Å; L258-F370 HydrophobicContact CB-CZ 4.32Å; L261-F370 HydrophobicContact CD1-CE1 3.87Å; L261-F370 HydrophobicContact CD1-CZ 3.92Å; I340-F370 HydrophobicContact CG2-CD2 4.4Å; I340-F370 HydrophobicContact CG2-CE1 4.42Å; I340-F370 HydrophobicContact CG2-CE2 4.15Å; I340-F370 HydrophobicContact CG2-CZ 4.16Å; N341-F370 PolarHBondContact O-N 3.26Å; Y342-F370 AromaticContact CD2-CD2 3.83Å; Y342-F370 HydrophobicContact CD2-CD2 3.83Å; Y342-F370 AromaticContact CD2-CE2 3.87Å; Y342-F370 HydrophobicContact CD2-CE2 3.87Å; Y342-F370 HydrophobicContact CE2-CD2 4.2Å; Y342-F370 HydrophobicContact CE2-CE2 4.14Å; Y342-F370 HydrophobicContact CG-CD2 4.28Å; I368-F370 HydrophobicContact CG2-CD1 4.19Å; I368-F370 HydrophobicContact CG2-CE1 3.92Å |
| 371 | V | 95 | Very high | 88.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.1 | -173.6 | -60.1 | 0 | 0 | 0 | 0 | 110.5 | F245 V246 A247 V248 L344 N369 D375 I376 L379 | F245-V371 HydrophobicContact CB-CG1 4.35Å; F245-V371 HydrophobicContact CB-CG2 4.08Å; F245-V371 HydrophobicContact CD2-CG2 3.61Å; F245-V371 HydrophobicContact CE2-CG2 4.49Å; F245-V371 HydrophobicContact CG-CG2 4.19Å; V246-V371 PolarHBondContact O-N 3.4Å; A247-V371 WeakPolarHBondContact CA-O 3.47Å; A247-V371 HydrophobicContact CB-CG2 4.45Å; V248-V371 WeakPolarHBondContact CG2-O 3.37Å; V248-V371 PolarHBondContact N-O 2.95Å; L344-V371 HydrophobicContact CD1-CB 4.49Å; L344-V371 HydrophobicContact CD1-CG1 3.54Å; L344-V371 HydrophobicContact CD2-CG1 4.35Å; L344-V371 HydrophobicContact CG-CG1 4.02Å; N369-V371 HydrophobicContact CB-CG1 4.16Å; N369-V371 PolarHBondContact O-N 2.95Å; V371-D375 HydrophobicContact CB-CB 4.34Å; V371-I376 HydrophobicContact CG2-CG1 4.28Å; V371-L379 HydrophobicContact CG1-CB 4.37Å; V371-L379 HydrophobicContact CG1-CD1 4.4Å; V371-L379 HydrophobicContact CG1-CD2 4.01Å |
| 372 | K | 93.2 | Very high | 89.5 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 165.9 | 165.1 | -65.3 | -178.7 | -59 | -160.3 | 0 | 110.2 | V248 E251 D374 D375 I376 | V248-K372 HydrophobicContact CG2-CG 4.08Å; V248-K372 WeakPolarHBondContact O-CA 3.5Å; E251-K372 HydrophobicContact CB-CD 4.34Å; E251-K372 WeakPolarHBondContact OE2-CD 3.44Å; E251-K372 WeakPolarHBondContact OE2-CE 3.32Å; E251-K372 IonicContact OE2-NZ 2.84Å; E251-K372 PolarHBondContact OE2-NZ 3.48Å; K372-D374 PolarHBondContact O-N 2.97Å; K372-D374 VanDerWaalsContact O-N 3.13Å; K372-D375 WeakPolarHBondContact CB-OD2 3.24Å; K372-D375 PolarHBondContact N-OD2 2.9Å; K372-D375 WeakPolarHBondContact O-CA 3.35Å; K372-D375 PolarHBondContact O-N 2.93Å; K372-I376 PolarHBondContact O-N 3.17Å |
| 373 | T | 86.2 | Confident | 90.5 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 58% | 0.583 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -48.1 | -42.7 | 177.3 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | D375 | T373-D375 VanDerWaalsContact C-N 3.35Š|
| 374 | D | 86.4 | Confident | 91.2 | Very high | 138 Ų | 138 | 56.7 Ų | 56.7 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -73.5 | -25.6 | 179.7 | -63.2 | -29.1 | 0 | 0 | 0 | 113.3 | K372 | K372-D374 PolarHBondContact O-N 2.97Å; K372-D374 VanDerWaalsContact O-N 3.13Å |
| 375 | D | 89.7 | Confident | 91.3 | Very high | 33 Ų | 33 | 51.6 Ų | 51.6 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -82 | -15.3 | -176.3 | -51.4 | -38.5 | 0 | 0 | 0 | 112.5 | L344 V371 K372 T373 K377 I378 L379 | L344-D375 HydrophobicContact CD1-CB 3.86Å; V371-D375 HydrophobicContact CB-CB 4.34Å; K372-D375 WeakPolarHBondContact CB-OD2 3.24Å; K372-D375 PolarHBondContact N-OD2 2.9Å; K372-D375 WeakPolarHBondContact O-CA 3.35Å; K372-D375 PolarHBondContact O-N 2.93Å; T373-D375 VanDerWaalsContact C-N 3.35Å; D375-K377 PolarHBondContact O-N 3.11Å; D375-I378 WeakPolarHBondContact O-CB 3.38Å; D375-I378 PolarHBondContact O-N 3.26Å; D375-L379 PolarHBondContact O-N 3.3Å; D375-L379 VanDerWaalsContact O-N 3.09Å |
| 376 | I | 87.8 | Confident | 91.2 | Very high | 63 Ų | 63 | 51.6 Ų | 51.6 | 32% | 0.323 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.9 | -36.9 | -178.6 | -66.5 | 174.2 | 0 | 0 | 0 | 111.3 | V371 K372 I378 L379 R380 | V371-I376 HydrophobicContact CG2-CG1 4.28Å; K372-I376 PolarHBondContact O-N 3.17Å; I376-I378 VanDerWaalsContact C-N 3.31Å; I376-I378 PolarHBondContact O-N 3.01Å; I376-L379 PolarHBondContact O-N 2.96Å; I376-R380 HydrophobicContact CG2-CG 4.24Å; I376-R380 WeakPolarHBondContact O-CG 3.42Å; I376-R380 PolarHBondContact O-N 3.24Å |
| 377 | K | 89.6 | Confident | 91 | Very high | 178 Ų | 178 | 55.7 Ų | 55.7 | 77% | 0.774 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 177.2 | -68.9 | -178.4 | -178.6 | 175.1 | 0 | 112.1 | D375 D381 | D375-K377 PolarHBondContact O-N 3.11Å; K377-D381 VanDerWaalsContact O-CB 3.29Å; K377-D381 WeakPolarHBondContact O-CB 3.18Å; K377-D381 PolarHBondContact O-N 2.96Å |
| 378 | I | 91.6 | Very high | 90.7 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 41% | 0.41 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.4 | -42.4 | 178.1 | -59.1 | 172 | 0 | 0 | 0 | 109.6 | D375 I376 D381 I382 | D375-I378 WeakPolarHBondContact O-CB 3.38Å; D375-I378 PolarHBondContact O-N 3.26Å; I376-I378 VanDerWaalsContact C-N 3.31Å; I376-I378 PolarHBondContact O-N 3.01Å; I378-D381 WeakPolarHBondContact O-CB 3.38Å; I378-D381 PolarHBondContact O-N 3.34Å; I378-I382 HydrophobicContact CG2-CD1 4.26Å; I378-I382 WeakPolarHBondContact O-CG1 3.36Å; I378-I382 PolarHBondContact O-N 2.99Å |
| 379 | L | 92.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.3 | -170.3 | 72.6 | 0 | 0 | 0 | 112.1 | F245 L344 N369 V371 D375 I376 D381 I382 E383 I390 | F245-L379 HydrophobicContact CB-CD2 3.54Å; F245-L379 HydrophobicContact CD1-CD2 3.76Å; F245-L379 HydrophobicContact CD2-CD2 4.48Å; F245-L379 HydrophobicContact CG-CD2 3.67Å; L344-L379 HydrophobicContact CD1-CB 4.2Å; L344-L379 HydrophobicContact CD1-CD1 4.44Å; L344-L379 HydrophobicContact CD2-CD1 3.98Å; N369-L379 HydrophobicContact CB-CD1 4.13Å; V371-L379 HydrophobicContact CG1-CB 4.37Å; V371-L379 HydrophobicContact CG1-CD1 4.4Å; V371-L379 HydrophobicContact CG1-CD2 4.01Å; D375-L379 PolarHBondContact O-N 3.3Å; D375-L379 VanDerWaalsContact O-N 3.09Å; I376-L379 PolarHBondContact O-N 2.96Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 3.1Å; L379-I382 WeakPolarHBondContact O-CB 3.35Å; L379-I382 PolarHBondContact O-N 3.32Å; L379-E383 WeakPolarHBondContact O-CB 3.41Å; L379-E383 PolarHBondContact O-N 2.84Å; L379-I390 HydrophobicContact CD1-CD1 3.59Å; L379-I390 HydrophobicContact CD1-CG2 4.24Å; L379-I390 HydrophobicContact CD2-CG2 4.09Å; L379-I390 HydrophobicContact CG-CD1 3.99Å; L379-I390 HydrophobicContact CG-CG2 4.43Å |
| 380 | R | 91.6 | Very high | 90.3 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 42% | 0.419 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 178.8 | -67 | -61.8 | -178.8 | -167.5 | -4.8 | 112.5 | I376 E383 Q384 | I376-R380 HydrophobicContact CG2-CG 4.24Å; I376-R380 WeakPolarHBondContact O-CG 3.42Å; I376-R380 PolarHBondContact O-N 3.24Å; R380-E383 WeakPolarHBondContact CD-OE2 3.4Å; R380-E383 IonicContact CZ-OE2 3.76Å; R380-E383 IonicContact NE-OE2 3.51Å; R380-E383 IonicContact NH1-OE1 2.98Å; R380-E383 PolarHBondContact NH1-OE1 3.12Å; R380-E383 IonicContact NH1-OE2 2.65Å; R380-E383 PolarHBondContact NH1-OE2 3.36Å; R380-E383 PolarHBondContact O-N 3.29Å; R380-Q384 WeakPolarHBondContact O-CB 3.21Å; R380-Q384 PolarHBondContact O-N 3.28Å |
| 381 | D | 91.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 32% | 0.316 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 173.6 | -178.5 | 60.8 | 0 | 0 | 0 | 112.1 | R348 K377 I378 L379 Y385 | R348-D381 IonicContact CZ-OD1 3.47Å; R348-D381 IonicContact CZ-OD2 3.57Å; R348-D381 IonicContact NE-OD1 2.72Å; R348-D381 IonicContact NE-OD2 2.67Å; R348-D381 PolarHBondContact NE-OD2 3.22Å; R348-D381 IonicContact NH2-OD1 3.56Å; R348-D381 PolarHBondContact NH2-OD1 3.35Å; R348-D381 IonicContact NH2-OD2 2.63Å; R348-D381 PolarHBondContact NH2-OD2 2.8Å; K377-D381 VanDerWaalsContact O-CB 3.29Å; K377-D381 WeakPolarHBondContact O-CB 3.18Å; K377-D381 PolarHBondContact O-N 2.96Å; I378-D381 WeakPolarHBondContact O-CB 3.38Å; I378-D381 PolarHBondContact O-N 3.34Å; L379-D381 VanDerWaalsContact C-N 3.3Å; L379-D381 PolarHBondContact O-N 3.1Å; D381-Y385 WeakPolarHBondContact O-CB 3.31Å; D381-Y385 PolarHBondContact O-N 3.47Å |
| 382 | I | 90.9 | Very high | 90 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 171.9 | -67.8 | 167.6 | 0 | 0 | 0 | 110.6 | P345 R348 Y351 I378 L379 Q384 Y385 Y386 | P345-I382 HydrophobicContact CG-CD1 4.41Å; R348-I382 HydrophobicContact CG-CG1 4.21Å; Y351-I382 HydrophobicContact CD1-CG2 3.37Å; Y351-I382 HydrophobicContact CD2-CD1 4.04Å; Y351-I382 HydrophobicContact CD2-CG2 4.16Å; Y351-I382 HydrophobicContact CE1-CG2 3.69Å; Y351-I382 HydrophobicContact CE2-CG2 4.42Å; Y351-I382 HydrophobicContact CG-CD1 4.14Å; Y351-I382 HydrophobicContact CG-CG2 3.63Å; I378-I382 HydrophobicContact CG2-CD1 4.26Å; I378-I382 WeakPolarHBondContact O-CG1 3.36Å; I378-I382 PolarHBondContact O-N 2.99Å; L379-I382 WeakPolarHBondContact O-CB 3.35Å; L379-I382 PolarHBondContact O-N 3.32Å; I382-Q384 PolarHBondContact O-N 3.12Å; I382-Y385 PolarHBondContact O-N 3.44Å; I382-Y386 HydrophobicContact CG2-CD2 3.86Å; I382-Y386 HydrophobicContact CG2-CE2 4.16Å; I382-Y386 WeakPolarHBondContact O-CD2 3.06Å; I382-Y386 PolarHBondContact O-N 3.27Å; I382-Y386 VanDerWaalsContact O-N 3.1Å |
| 383 | E | 91.2 | Very high | 89.8 | Confident | 33 Ų | 33 | 71.8 Ų | 71.8 | 15% | 0.154 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56 | -50.7 | 179.8 | -172.4 | -178.8 | -132.3 | 0 | 0 | 111.4 | L379 R380 S387 T388 I390 | L379-E383 WeakPolarHBondContact O-CB 3.41Å; L379-E383 PolarHBondContact O-N 2.84Å; R380-E383 WeakPolarHBondContact CD-OE2 3.4Å; R380-E383 IonicContact CZ-OE2 3.76Å; R380-E383 IonicContact NE-OE2 3.51Å; R380-E383 IonicContact NH1-OE1 2.98Å; R380-E383 PolarHBondContact NH1-OE1 3.12Å; R380-E383 IonicContact NH1-OE2 2.65Å; R380-E383 PolarHBondContact NH1-OE2 3.36Å; R380-E383 PolarHBondContact O-N 3.29Å; E383-S387 WeakPolarHBondContact O-CA 3.39Å; E383-S387 PolarHBondContact O-N 2.95Å; E383-T388 HydrophobicContact CG-CG2 4.45Å; E383-T388 WeakPolarHBondContact CG-O 3.32Å; E383-T388 PolarHBondContact O-N 3.18Å; E383-T388 VanDerWaalsContact O-N 3.09Å; E383-I390 HydrophobicContact CB-CD1 4.24Å; E383-I390 HydrophobicContact CB-CG1 4.39Å; E383-I390 HydrophobicContact CG-CG1 4.35Å; E383-I390 PolarHBondContact OE1-N 3.25Å |
| 384 | Q | 91 | Very high | 89.7 | Confident | 154 Ų | 154 | 69.9 Ų | 69.9 | 72% | 0.72 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.9 | -43.7 | 178.6 | -175.4 | 178.8 | 4.7 | 0 | 0 | 112.1 | R380 I382 Y386 S387 | R380-Q384 WeakPolarHBondContact O-CB 3.21Å; R380-Q384 PolarHBondContact O-N 3.28Å; I382-Q384 PolarHBondContact O-N 3.12Å; Q384-Y386 PolarHBondContact O-N 2.77Å; Q384-S387 PolarHBondContact O-N 2.92Å |
| 385 | Y | 87 | Confident | 89.1 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 26% | 0.259 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | -176.1 | -178.1 | -102.1 | 0 | 0 | 0 | 112.8 | R233 R348 D381 I382 | R233-Y385 PolarHBondContact NH1-OH 3.35Å; R348-Y385 HydrophobicContact CB-CD1 4.36Å; D381-Y385 WeakPolarHBondContact O-CB 3.31Å; D381-Y385 PolarHBondContact O-N 3.47Å; I382-Y385 PolarHBondContact O-N 3.44Å |
| 386 | Y | 85.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 76.1 Ų | 76.1 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -92.4 | 0.2 | 178.6 | -67.5 | -64.3 | 0 | 0 | 0 | 113.8 | L236 T237 R348 E349 I352 I382 Q384 T388 | L236-Y386 HydrophobicContact CD1-CE1 4.47Å; T237-Y386 HydrophobicContact CG2-CG 4.48Å; R348-Y386 HydrophobicContact CB-CE2 3.97Å; R348-Y386 VanDerWaalsContact O-CE2 3.26Å; R348-Y386 WeakPolarHBondContact O-CE2 3.43Å; R348-Y386 PolarHBondContact O-OH 3.4Å; E349-Y386 WeakPolarHBondContact CA-OH 3.49Å; E349-Y386 PolarHBondContact N-OH 3.43Å; I352-Y386 HydrophobicContact CD1-CD1 4.15Å; I352-Y386 HydrophobicContact CD1-CD2 4.09Å; I352-Y386 HydrophobicContact CD1-CE1 4.25Å; I352-Y386 HydrophobicContact CD1-CE2 4.17Å; I352-Y386 HydrophobicContact CD1-CG 4.07Å; I352-Y386 HydrophobicContact CG1-CD1 4.05Å; I352-Y386 HydrophobicContact CG1-CD2 4.08Å; I352-Y386 HydrophobicContact CG1-CE1 3.63Å; I352-Y386 HydrophobicContact CG1-CE2 3.64Å; I352-Y386 HydrophobicContact CG1-CG 4.26Å; I382-Y386 HydrophobicContact CG2-CD2 3.86Å; I382-Y386 HydrophobicContact CG2-CE2 4.16Å; I382-Y386 WeakPolarHBondContact O-CD2 3.06Å; I382-Y386 PolarHBondContact O-N 3.27Å; I382-Y386 VanDerWaalsContact O-N 3.1Å; Q384-Y386 PolarHBondContact O-N 2.77Å; Y386-T388 PolarHBondContact O-N 2.79Å |
| 387 | S | 87.2 | Confident | 87.2 | Confident | 90 Ų | 90 | 74.1 Ų | 74.1 | 63% | 0.629 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.5 | -175.5 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | E383 Q384 | E383-S387 WeakPolarHBondContact O-CA 3.39Å; E383-S387 PolarHBondContact O-N 2.95Å; Q384-S387 PolarHBondContact O-N 2.92Å |
| 388 | T | 88.3 | Confident | 86 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 16% | 0.16 | 36% | 0.358 | C | S | . | . | trans | -101.7 | 172.6 | 177.7 | -171.4 | 0 | 0 | 0 | 0 | 110.6 | T237 Q243 E383 Y386 I390 | T237-T388 HydrophobicContact CG2-CG2 4.35Å; Q243-T388 PolarHBondContact NE2-OG1 3.48Å; E383-T388 HydrophobicContact CG-CG2 4.45Å; E383-T388 WeakPolarHBondContact CG-O 3.32Å; E383-T388 PolarHBondContact O-N 3.18Å; E383-T388 VanDerWaalsContact O-N 3.09Å; Y386-T388 PolarHBondContact O-N 2.79Å; T388-I390 HydrophobicContact CG2-CD1 4.48Å; T388-I390 HydrophobicContact CG2-CG1 4.18Å | ||
| 389 | Q | 90.4 | Very high | 84.7 | Confident | 125 Ų | 125 | 71.8 Ų | 71.8 | 58% | 0.584 | 37% | 0.37 | S | S | * | . | trans | -112.5 | 132 | 169 | -174.1 | 172.5 | -4.7 | 0 | 0 | 109.6 | D391 | Q389-D391 WeakPolarHBondContact CG-OD1 3.41Å; Q389-D391 PolarHBondContact NE2-OD1 2.95Å; Q389-D391 PolarHBondContact NE2-OD2 3.42Å | ||
| 390 | I | 93.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | trans | -123.4 | 100.9 | 172.8 | -50 | 178.1 | 0 | 0 | 0 | 107.9 | Q243 F245 Y351 L379 E383 T388 | Q243-I390 HydrophobicContact CB-CB 4.43Å; Q243-I390 HydrophobicContact CB-CG1 4.1Å; Q243-I390 HydrophobicContact CB-CG2 4.21Å; Q243-I390 WeakPolarHBondContact O-CA 3.27Å; F245-I390 HydrophobicContact CB-CG2 4.31Å; F245-I390 HydrophobicContact CD1-CG2 4.15Å; Y351-I390 HydrophobicContact CE1-CD1 4.4Å; Y351-I390 WeakPolarHBondContact OH-CD1 3.45Å; L379-I390 HydrophobicContact CD1-CD1 3.59Å; L379-I390 HydrophobicContact CD1-CG2 4.24Å; L379-I390 HydrophobicContact CD2-CG2 4.09Å; L379-I390 HydrophobicContact CG-CD1 3.99Å; L379-I390 HydrophobicContact CG-CG2 4.43Å; E383-I390 HydrophobicContact CB-CD1 4.24Å; E383-I390 HydrophobicContact CB-CG1 4.39Å; E383-I390 HydrophobicContact CG-CG1 4.35Å; E383-I390 PolarHBondContact OE1-N 3.25Å; T388-I390 HydrophobicContact CG2-CD1 4.48Å; T388-I390 HydrophobicContact CG2-CG1 4.18Å | ||
| 391 | D | 92.5 | Very high | 81.8 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 155.4 | -173.5 | -68.1 | -44.7 | 0 | 0 | 0 | 112.1 | Q243 F244 F245 Q389 M393 | Q243-D391 PolarHBondContact O-N 3.03Å; F244-D391 CarbonylContact C-O 3.49Å; F244-D391 WeakPolarHBondContact CA-O 3.43Å; F244-D391 HydrophobicContact CD1-CB 3.94Å; F244-D391 HydrophobicContact CE1-CB 4.12Å; F245-D391 VanDerWaalsContact CD1-O 3.25Å; F245-D391 WeakPolarHBondContact CD1-O 3.04Å; F245-D391 PolarHBondContact N-O 3.22Å; Q389-D391 WeakPolarHBondContact CG-OD1 3.41Å; Q389-D391 PolarHBondContact NE2-OD1 2.95Å; Q389-D391 PolarHBondContact NE2-OD2 3.42Å; D391-M393 PolarHBondContact O-N 3.04Å |
| 392 | E | 92.5 | Very high | 81.3 | Confident | 139 Ų | 139 | 72.2 Ų | 72.2 | 65% | 0.65 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 136 | 165.7 | -169.7 | 169 | -170.7 | 0 | 0 | 108.9 | F245 | F245-E392 HydrophobicContact CE1-CB 3.94Å; F245-E392 HydrophobicContact CE2-CB 4.26Å; F245-E392 HydrophobicContact CE2-CG 4.12Å; F245-E392 HydrophobicContact CZ-CB 3.68Å; F245-E392 HydrophobicContact CZ-CG 4.03Å |
| 393 | M | 89.9 | Confident | 80.8 | Confident | 43 Ų | 43 | 75.9 Ų | 75.9 | 21% | 0.212 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.2 | -174.8 | -168.2 | 176.2 | 75.2 | 0 | 0 | 110.6 | F244 F245 V246 L261 I368 D391 V397 | F244-M393 HydrophobicContact CB-CB 4.1Å; F244-M393 HydrophobicContact CB-CG 4.33Å; F245-M393 PolarHBondContact O-N 2.91Å; V246-M393 HydrophobicContact CG2-CB 3.86Å; V246-M393 HydrophobicContact CG2-CE 3.57Å; V246-M393 HydrophobicContact CG2-CG 4.39Å; V246-M393 HydrophobicContact CG2-SD 3.62Å; L261-M393 HydrophobicContact CD1-SD 4.44Å; L261-M393 HydrophobicContact CD2-CE 4Å; L261-M393 HydrophobicContact CD2-SD 4.05Å; I368-M393 HydrophobicContact CD1-SD 3.97Å; I368-M393 HydrophobicContact CG2-SD 4.13Å; D391-M393 PolarHBondContact O-N 3.04Å; M393-V397 HydrophobicContact CE-CG2 3.7Å; M393-V397 HydrophobicContact CG-CG2 4.21Å; M393-V397 HydrophobicContact SD-CG2 3.86Å |
| 394 | P | 83.4 | Confident | 80.2 | Confident | 54 Ų | 54 | 78.3 Ų | 78.3 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -68 | 153.5 | 177.4 | 29.6 | -35.2 | 0 | 0 | 0 | 110.4 | F244 N396 L400 | F244-P394 HydrophobicContact CE1-CG 4.42Å; P394-N396 PolarHBondContact O-N 3.06Å; P394-L400 HydrophobicContact CG-CD1 3.97Å; P394-L400 HydrophobicContact CG-CD2 4.29Å; P394-L400 HydrophobicContact CG-CG 4.49Å |
| 395 | M | 73.8 | Confident | 79.6 | Confident | 189 Ų | 189 | 73.9 Ų | 73.9 | 93% | 0.931 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -59.6 | -30.2 | 179.1 | -68.8 | 179.5 | 64.4 | 0 | 0 | 113.4 | V397 | M395-V397 PolarHBondContact O-N 3.4Š|
| 396 | N | 70 | Confident | 79.1 | Confident | 113 Ų | 113 | 74.4 Ų | 74.4 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -95.7 | 90 | 178.1 | -72.6 | -11.2 | 0 | 0 | 0 | 110.7 | P394 | P394-N396 PolarHBondContact O-N 3.06Š| ||
| 397 | V | 67.1 | Low | 78.7 | Confident | 21 Ų | 21 | 79.1 Ų | 79.1 | 13% | 0.127 | 43% | 0.434 | C | S | . | . | trans | -75.9 | -26.7 | 180 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | L261 T264 M393 M395 D399 L400 | L261-V397 HydrophobicContact CD2-CB 4.31Å; L261-V397 HydrophobicContact CD2-CG1 3.73Å; L261-V397 HydrophobicContact CD2-CG2 3.95Å; T264-V397 HydrophobicContact CG2-CG1 4.13Å; M393-V397 HydrophobicContact CE-CG2 3.7Å; M393-V397 HydrophobicContact CG-CG2 4.21Å; M393-V397 HydrophobicContact SD-CG2 3.86Å; M395-V397 PolarHBondContact O-N 3.4Å; V397-D399 PolarHBondContact O-N 3.36Å; V397-D399 VanDerWaalsContact O-N 3.09Å; V397-L400 HydrophobicContact CG1-CD1 4.32Å; V397-L400 WeakPolarHBondContact O-CB 3.46Å; V397-L400 PolarHBondContact O-N 2.62Å; V397-L400 VanDerWaalsContact O-N 3.1Å | ||
| 398 | S | 64.5 | Low | 78 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.8 | -174.4 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | L400 | S398-L400 VanDerWaalsContact C-N 3.33Š|
| 399 | D | 65.3 | Low | 77.3 | Confident | 126 Ų | 126 | 82.4 Ų | 82.4 | 67% | 0.674 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 0.5 | -175.1 | -58.5 | -14.6 | 0 | 0 | 0 | 112.7 | V397 | V397-D399 PolarHBondContact O-N 3.36Å; V397-D399 VanDerWaalsContact O-N 3.09Å |
| 400 | L | 63.2 | Low | 76.2 | Confident | 26 Ų | 26 | 78.8 Ų | 78.8 | 14% | 0.136 | 43% | 0.428 | C | S | . | . | trans | -88.2 | -23.5 | -173.7 | -65.1 | 174.9 | 0 | 0 | 0 | 114 | K242 F244 V366 P394 V397 S398 | K242-L400 HydrophobicContact CD-CD2 4.42Å; F244-L400 HydrophobicContact CD2-CD1 4.11Å; F244-L400 HydrophobicContact CE1-CD2 4.47Å; F244-L400 HydrophobicContact CE2-CD1 3.68Å; F244-L400 HydrophobicContact CE2-CD2 3.72Å; F244-L400 HydrophobicContact CE2-CG 4.22Å; F244-L400 HydrophobicContact CZ-CD1 4.02Å; F244-L400 HydrophobicContact CZ-CD2 3.48Å; F244-L400 VanDerWaalsContact CZ-CD2 3.48Å; F244-L400 HydrophobicContact CZ-CG 4.38Å; V366-L400 HydrophobicContact CG2-CB 4.18Å; V366-L400 WeakPolarHBondContact CG2-O 3.4Å; P394-L400 HydrophobicContact CG-CD1 3.97Å; P394-L400 HydrophobicContact CG-CD2 4.29Å; P394-L400 HydrophobicContact CG-CG 4.49Å; V397-L400 HydrophobicContact CG1-CD1 4.32Å; V397-L400 WeakPolarHBondContact O-CB 3.46Å; V397-L400 PolarHBondContact O-N 2.62Å; V397-L400 VanDerWaalsContact O-N 3.1Å; S398-L400 VanDerWaalsContact C-N 3.33Å | ||
| 401 | V | 58 | Low | 74.6 | Confident | 82 Ų | 82 | 85.8 Ų | 85.8 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | trans | -103.4 | 0 | -172.3 | -176.6 | 0 | 0 | 0 | 0 | 112.9 | T264 T268 S337 L338 V366 | T264-V401 HydrophobicContact CG2-CG2 3.78Å; T268-V401 HydrophobicContact CG2-CG1 3.96Å; S337-V401 WeakPolarHBondContact OG-CG1 3.14Å; L338-V401 HydrophobicContact CD2-CG2 4.46Å; V366-V401 HydrophobicContact CG2-CG2 4.34Å |
Retrieved 401 of 401 residues in 1591.9 ms
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