| 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 | 34.7 | Very low | 44.9 | Very low | 198 Ų | 198 | 102.2 Ų | 102.2 | 98% | 0.975 | 64% | 0.636 | S | S | * | * | 0 | 135.5 | 0 | -67.9 | 157.4 | 175.9 | 0 | 0 | 106.9 | |||||
| 2 | K | 25.5 | Very low | 45.8 | Very low | 138 Ų | 138 | 101.8 Ų | 101.8 | 60% | 0.6 | 63% | 0.625 | S | S | * | * | trans | -79.1 | 146.1 | 175.2 | -70.5 | -178.7 | 178.5 | 177.5 | 0 | 108.2 | G4 S5 D1102 | K2-G4 PolarHBondContact O-N 3.22Å; K2-S5 PolarHBondContact N-OG 2.96Å; K2-S5 PolarHBondContact O-N 3.16Å; K2-S5 VanDerWaalsContact O-N 3.09Å; K2-S5 PolarHBondContact O-OG 2.88Å; K2-D1102 IonicContact NZ-OD2 3.05Å; K2-D1102 PolarHBondContact NZ-OD2 3.43Å | ||
| 3 | P | 26.1 | Very low | 45.9 | Very low | 139 Ų | 139 | 101.8 Ų | 101.8 | 90% | 0.903 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 134.4 | 171.6 | -25.6 | 35.2 | 0 | 0 | 0 | 110.7 | S5 | P3-S5 VanDerWaalsContact C-N 3.35Å; P3-S5 PolarHBondContact O-N 3.22Å |
| 4 | G | 39.5 | Very low | 46.3 | Very low | 90 Ų | 90 | 99.9 Ų | 99.9 | 93% | 0.928 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.6 | -5.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K2 G6 | K2-G4 PolarHBondContact O-N 3.22Å; G4-G6 PolarHBondContact O-N 2.81Å |
| 5 | S | 37.4 | Very low | 46.6 | Very low | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 64% | 0.638 | S | S | . | * | trans | -80.4 | 112.6 | 172.7 | 70.6 | 0 | 0 | 0 | 0 | 111.3 | K2 P3 | K2-S5 PolarHBondContact N-OG 2.96Å; K2-S5 PolarHBondContact O-N 3.16Å; K2-S5 VanDerWaalsContact O-N 3.09Å; K2-S5 PolarHBondContact O-OG 2.88Å; P3-S5 VanDerWaalsContact C-N 3.35Å; P3-S5 PolarHBondContact O-N 3.22Å | ||
| 6 | G | 50.2 | Low | 47 | Very low | 74 Ų | 74 | 105.6 Ų | 105.6 | 76% | 0.763 | 64% | 0.643 | S | S | * | * | trans | -79.6 | 120.8 | 172 | 0 | 0 | 0 | 0 | 0 | 111.8 | G4 | G4-G6 PolarHBondContact O-N 2.81Š| ||
| 7 | T | 52 | Low | 47.6 | Very low | 84 Ų | 84 | 101.4 Ų | 101.4 | 52% | 0.515 | 62% | 0.622 | S | S | . | * | trans | -107.2 | 123.6 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | V9 | T7-V9 HydrophobicContact CG2-CG2 4.14Å; T7-V9 PolarHBondContact O-N 2.93Å | ||
| 8 | L | 57.2 | Low | 48.5 | Very low | 75 Ų | 75 | 100.6 Ų | 100.6 | 39% | 0.393 | 61% | 0.613 | S | S | . | * | trans | -72 | 113.4 | 167.1 | 175.8 | 64 | 0 | 0 | 0 | 108.9 | I10 Y24 | L8-I10 HydrophobicContact CD1-CG1 4.19Å; L8-I10 HydrophobicContact CD2-CD1 4.11Å; L8-I10 HydrophobicContact CG-CD1 4.28Å; L8-I10 HydrophobicContact CG-CG1 4.21Å; L8-Y24 HydrophobicContact CD1-CD1 4.31Å; L8-Y24 HydrophobicContact CD2-CD1 3.75Å; L8-Y24 HydrophobicContact CD2-CG 3.77Å | ||
| 9 | V | 58.3 | Low | 49.3 | Very low | 113 Ų | 113 | 98.3 Ų | 98.3 | 69% | 0.685 | 61% | 0.605 | S | S | * | * | trans | -108.3 | 123.2 | 169.8 | -178.2 | 0 | 0 | 0 | 0 | 107.3 | T7 | T7-V9 HydrophobicContact CG2-CG2 4.14Å; T7-V9 PolarHBondContact O-N 2.93Å | ||
| 10 | I | 57.3 | Low | 50.2 | Low | 48 Ų | 48 | 95.6 Ų | 95.6 | 25% | 0.246 | 58% | 0.584 | C | S | . | * | trans | -103.6 | 107.5 | 173.9 | -72.3 | 162.3 | 0 | 0 | 0 | 107.4 | L8 I12 Y20 Y24 I42 | L8-I10 HydrophobicContact CD1-CG1 4.19Å; L8-I10 HydrophobicContact CD2-CD1 4.11Å; L8-I10 HydrophobicContact CG-CD1 4.28Å; L8-I10 HydrophobicContact CG-CG1 4.21Å; I10-I12 HydrophobicContact CG2-CG1 4.24Å; I10-Y20 HydrophobicContact CG2-CD1 3.5Å; I10-Y20 HydrophobicContact CG2-CE1 4.03Å; I10-Y20 HydrophobicContact CG2-CG 4Å; I10-Y24 HydrophobicContact CD1-CD1 4.17Å; I10-Y24 HydrophobicContact CD1-CD2 4.26Å; I10-Y24 HydrophobicContact CD1-CE1 3.76Å; I10-Y24 HydrophobicContact CD1-CE2 3.87Å; I10-Y24 HydrophobicContact CD1-CG 4.4Å; I10-Y24 HydrophobicContact CG1-CE1 4.31Å; I10-I42 HydrophobicContact CD1-CD1 3.26Å | ||
| 11 | D | 55.5 | Low | 51.3 | Low | 103 Ų | 103 | 94.4 Ų | 94.4 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | trans | -90.1 | 126.5 | 173.4 | -166.1 | -20.5 | 0 | 0 | 0 | 109 | S13 Y20 | D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.49Å; D11-S13 PolarHBondContact OD1-N 3.08Å; D11-S13 PolarHBondContact OD1-OG 2.84Å; D11-S13 PolarHBondContact OD2-OG 3.39Å; D11-Y20 VanDerWaalsContact O-CE1 3.3Å; D11-Y20 WeakPolarHBondContact O-CE1 3.4Å; D11-Y20 VanDerWaalsContact O-CZ 3.23Å; D11-Y20 PolarHBondContact O-OH 2.87Å | ||
| 12 | I | 56.3 | Low | 53.1 | Low | 98 Ų | 98 | 86.2 Ų | 86.2 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | trans | -102.1 | 7.8 | -176.4 | -40.9 | 178.7 | 0 | 0 | 0 | 110.1 | I10 G14 A17 Y20 | I10-I12 HydrophobicContact CG2-CG1 4.24Å; I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 3.01Å; I12-A17 HydrophobicContact CG2-CB 4.18Å; I12-Y20 HydrophobicContact CB-CE2 4.46Å; I12-Y20 HydrophobicContact CG2-CD2 4.24Å; I12-Y20 HydrophobicContact CG2-CE2 3.92Å | ||
| 13 | S | 46.3 | Very low | 55.2 | Low | 101 Ų | 101 | 83.7 Ų | 83.7 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -80.5 | 65.1 | -179.2 | 63.8 | 0 | 0 | 0 | 0 | 113.8 | D11 | D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.49Å; D11-S13 PolarHBondContact OD1-N 3.08Å; D11-S13 PolarHBondContact OD1-OG 2.84Å; D11-S13 PolarHBondContact OD2-OG 3.39Å |
| 14 | G | 51.7 | Low | 57.4 | Low | 75 Ų | 75 | 79.9 Ų | 79.9 | 77% | 0.773 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 167.9 | -30.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I12 | I12-G14 VanDerWaalsContact C-N 3.3Å; I12-G14 PolarHBondContact O-N 3.01Å |
| 15 | E | 51.1 | Low | 58.8 | Low | 128 Ų | 128 | 79.7 Ų | 79.7 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -110.8 | 163.7 | 177.3 | -60.7 | -165.9 | 156.2 | 0 | 0 | 111.5 | A19 Y20 | E15-A19 HydrophobicContact CB-CB 4.2Å; E15-Y20 HydrophobicContact CB-CE2 3.94Å |
| 16 | K | 53.6 | Low | 60.4 | Low | 163 Ų | 163 | 79.2 Ų | 79.2 | 71% | 0.709 | 47% | 0.473 | S | S | * | . | trans | -67.9 | 146.2 | 173.6 | -67.6 | 176.6 | 177.6 | 177.6 | 0 | 109.9 | D18 A19 | K16-D18 WeakPolarHBondContact CB-OD1 3.29Å; K16-D18 PolarHBondContact O-N 3.31Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.46Å; K16-A19 PolarHBondContact O-N 3.07Å | ||
| 17 | A | 56.3 | Low | 61.2 | Low | 35 Ų | 35 | 79 Ų | 79 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -10.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I12 Q44 | I12-A17 HydrophobicContact CG2-CB 4.18Å; A17-Q44 HydrophobicContact CB-CG 4.03Å |
| 18 | D | 63.9 | Low | 61.8 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 46% | 0.46 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23.2 | 170.8 | 55.1 | -16 | 0 | 0 | 0 | 113.2 | K16 Y20 E21 | K16-D18 WeakPolarHBondContact CB-OD1 3.29Å; K16-D18 PolarHBondContact O-N 3.31Å; D18-Y20 PolarHBondContact O-N 2.63Å; D18-E21 PolarHBondContact O-N 3.32Å |
| 19 | A | 63.2 | Low | 62.3 | Low | 57 Ų | 57 | 79.1 Ų | 79.1 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -18.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E15 K16 | E15-A19 HydrophobicContact CB-CB 4.2Å; K16-A19 VanDerWaalsContact O-CB 3.31Å; K16-A19 WeakPolarHBondContact O-CB 3.46Å; K16-A19 PolarHBondContact O-N 3.07Å |
| 20 | Y | 68.6 | Low | 62.5 | Low | 44 Ų | 44 | 78.9 Ų | 78.9 | 17% | 0.173 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 9.6 | 179.8 | -49 | -94.5 | 0 | 0 | 0 | 112.9 | I10 D11 I12 E15 D18 G22 Y24 | I10-Y20 HydrophobicContact CG2-CD1 3.5Å; I10-Y20 HydrophobicContact CG2-CE1 4.03Å; I10-Y20 HydrophobicContact CG2-CG 4Å; D11-Y20 VanDerWaalsContact O-CE1 3.3Å; D11-Y20 WeakPolarHBondContact O-CE1 3.4Å; D11-Y20 VanDerWaalsContact O-CZ 3.23Å; D11-Y20 PolarHBondContact O-OH 2.87Å; I12-Y20 HydrophobicContact CB-CE2 4.46Å; I12-Y20 HydrophobicContact CG2-CD2 4.24Å; I12-Y20 HydrophobicContact CG2-CE2 3.92Å; E15-Y20 HydrophobicContact CB-CE2 3.94Å; D18-Y20 PolarHBondContact O-N 2.63Å; Y20-G22 PolarHBondContact O-N 2.95Å; Y20-Y24 WeakPolarHBondContact CA-OH 3.37Å; Y20-Y24 PolarHBondContact O-OH 3.13Å |
| 21 | E | 72.7 | Confident | 62.7 | Low | 72 Ų | 72 | 85.2 Ų | 85.2 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | trans | -72.6 | 116.8 | 167.4 | -64.2 | -156.2 | 144.4 | 0 | 0 | 109.7 | D18 I42 Q44 R46 | D18-E21 PolarHBondContact O-N 3.32Å; E21-I42 WeakPolarHBondContact CA-O 3.4Å; E21-Q44 HydrophobicContact CG-CB 4.32Å; E21-Q44 WeakPolarHBondContact OE1-CB 3.2Å; E21-Q44 PolarHBondContact OE1-N 2.82Å; E21-R46 IonicContact OE1-CZ 2.74Å; E21-R46 IonicContact OE1-NE 2.74Å; E21-R46 IonicContact OE1-NH2 2.63Å; E21-R46 PolarHBondContact OE1-NH2 3.48Å; E21-R46 IonicContact OE2-NH2 2.82Å; E21-R46 PolarHBondContact OE2-NH2 3Å | ||
| 22 | G | 71.9 | Confident | 62.7 | Low | 26 Ų | 26 | 86.3 Ų | 86.3 | 27% | 0.268 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | 178.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y20 M41 I42 | Y20-G22 PolarHBondContact O-N 2.95Å; G22-M41 CarbonylContact O-C 3.53Å; G22-M41 WeakPolarHBondContact O-CA 3.39Å; G22-I42 PolarHBondContact N-O 2.9Å; G22-I42 VanDerWaalsContact N-O 3.11Å; G22-I42 PolarHBondContact O-N 2.64Å |
| 23 | T | 69.6 | Low | 62.9 | Low | 84 Ų | 84 | 82.1 Ų | 82.1 | 52% | 0.515 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.2 | 177.1 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | T39 M41 | T23-T39 HydrophobicContact CG2-CG2 4.02Å; T23-M41 VanDerWaalsContact OG1-CE 3.29Å; T23-M41 WeakPolarHBondContact OG1-CE 3.34Å |
| 24 | Y | 72.7 | Confident | 63.9 | Low | 60 Ų | 60 | 81 Ų | 81 | 24% | 0.235 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 139.4 | -175.7 | -65.6 | -96.5 | 0 | 0 | 0 | 111 | L8 I10 Y20 T39 I40 I42 | L8-Y24 HydrophobicContact CD1-CD1 4.31Å; L8-Y24 HydrophobicContact CD2-CD1 3.75Å; L8-Y24 HydrophobicContact CD2-CG 3.77Å; I10-Y24 HydrophobicContact CD1-CD1 4.17Å; I10-Y24 HydrophobicContact CD1-CD2 4.26Å; I10-Y24 HydrophobicContact CD1-CE1 3.76Å; I10-Y24 HydrophobicContact CD1-CE2 3.87Å; I10-Y24 HydrophobicContact CD1-CG 4.4Å; I10-Y24 HydrophobicContact CG1-CE1 4.31Å; Y20-Y24 WeakPolarHBondContact CA-OH 3.37Å; Y20-Y24 PolarHBondContact O-OH 3.13Å; Y24-T39 CarbonylContact O-C 3.52Å; Y24-T39 WeakPolarHBondContact O-CA 3.27Å; Y24-T39 WeakPolarHBondContact O-CB 3.47Å; Y24-I40 PolarHBondContact N-O 3.17Å; Y24-I40 PolarHBondContact O-N 2.84Å; Y24-I42 HydrophobicContact CD2-CB 4.44Å; Y24-I42 HydrophobicContact CD2-CD1 3.9Å; Y24-I42 HydrophobicContact CD2-CG1 4.25Å; Y24-I42 HydrophobicContact CE2-CB 4.1Å; Y24-I42 HydrophobicContact CE2-CD1 3.91Å; Y24-I42 HydrophobicContact CE2-CG1 4.3Å |
| 25 | Q | 69.9 | Low | 64.5 | Low | 86 Ų | 86 | 78.5 Ų | 78.5 | 40% | 0.402 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.6 | 174 | -166.3 | 174.4 | 31 | 0 | 0 | 110.5 | S37 T39 | Q25-S37 WeakPolarHBondContact CG-O 3.29Å; Q25-S37 PolarHBondContact NE2-O 3.15Å; Q25-T39 HydrophobicContact CB-CG2 3.72Å; Q25-T39 HydrophobicContact CG-CG2 3.83Å |
| 26 | C | 70.2 | Confident | 65.2 | Low | 52 Ų | 52 | 73.6 Ų | 73.6 | 35% | 0.351 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 143.2 | 173.5 | -64.9 | 0 | 0 | 0 | 0 | 110.1 | S37 | C26-S37 WeakPolarHBondContact CB-OG 3.33Å; C26-S37 PolarHBondContact N-OG 3Å; C26-S37 PolarHBondContact O-N 2.93Å; C26-S37 PolarHBondContact O-OG 2.84Å |
| 27 | T | 66.9 | Low | 65.7 | Low | 70 Ų | 70 | 67.9 Ų | 67.9 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 121.2 | 175.1 | 89.2 | 0 | 0 | 0 | 0 | 109.6 | K34 A35 L36 | T27-K34 WeakPolarHBondContact OG1-CE 3.46Å; T27-K34 PolarHBondContact OG1-NZ 2.82Å; T27-A35 WeakPolarHBondContact CA-O 3.18Å; T27-L36 HydrophobicContact CG2-CD2 3.45Å; T27-L36 VanDerWaalsContact CG2-CD2 3.45Å |
| 28 | A | 65.3 | Low | 65.8 | Low | 68 Ų | 68 | 71 Ų | 71 | 56% | 0.562 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | K34 A35 | A28-K34 CarbonylContact O-C 3.53Å; A28-K34 VanDerWaalsContact O-CA 3.3Å; A28-K34 WeakPolarHBondContact O-CA 3.39Å; A28-K34 WeakPolarHBondContact O-CG 3.48Å; A28-A35 PolarHBondContact N-O 3.08Å; A28-A35 PolarHBondContact O-N 2.83Å |
| 29 | S | 66.4 | Low | 65.6 | Low | 93 Ų | 93 | 69 Ų | 69 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 140.7 | -179.5 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | G33 | S29-G33 VanDerWaalsContact CA-O 3.31Å; S29-G33 WeakPolarHBondContact CA-O 3.33Å |
| 30 | N | 63.6 | Low | 65.5 | Low | 108 Ų | 108 | 71.2 Ų | 71.2 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | -170.1 | 172.7 | 68.5 | 3.7 | 0 | 0 | 0 | 109.9 | H32 G33 | N30-H32 PolarHBondContact O-N 2.78Å; N30-H32 PolarHBondContact OD1-N 2.89Å; N30-G33 PolarHBondContact N-O 2.84Å; N30-G33 PolarHBondContact OD1-N 2.83Å; N30-G33 PolarHBondContact OD1-O 3.13Å |
| 31 | E | 61.2 | Low | 65.4 | Low | 180 Ų | 180 | 74.1 Ų | 74.1 | 84% | 0.841 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11.6 | 179.4 | 68 | -160 | 127.2 | 0 | 0 | 114.9 | ||
| 32 | H | 55.8 | Low | 65.4 | Low | 126 Ų | 126 | 73.5 Ų | 73.5 | 58% | 0.583 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -15.5 | -179.2 | -59 | -51.4 | 0 | 0 | 0 | 113.8 | N30 N281 | N30-H32 PolarHBondContact O-N 2.78Å; N30-H32 PolarHBondContact OD1-N 2.89Å; H32-N281 PolarHBondContact O-ND2 3.4Å |
| 33 | G | 61.1 | Low | 65.4 | Low | 11 Ų | 11 | 80.1 Ų | 80.1 | 11% | 0.113 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | -172.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | S29 N30 N281 | S29-G33 VanDerWaalsContact CA-O 3.31Å; S29-G33 WeakPolarHBondContact CA-O 3.33Å; N30-G33 PolarHBondContact N-O 2.84Å; N30-G33 PolarHBondContact OD1-N 2.83Å; N30-G33 PolarHBondContact OD1-O 3.13Å; G33-N281 VanDerWaalsContact CA-CG 3.43Å; G33-N281 VanDerWaalsContact CA-OD1 3.25Å; G33-N281 WeakPolarHBondContact CA-OD1 3.31Å |
| 34 | K | 67.1 | Low | 65.7 | Low | 78 Ų | 78 | 79.7 Ų | 79.7 | 34% | 0.339 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129.6 | 176.3 | 178.2 | 172.5 | -175.8 | 169.9 | 0 | 110.3 | T27 A28 N281 G282 | T27-K34 WeakPolarHBondContact OG1-CE 3.46Å; T27-K34 PolarHBondContact OG1-NZ 2.82Å; A28-K34 CarbonylContact O-C 3.53Å; A28-K34 VanDerWaalsContact O-CA 3.3Å; A28-K34 WeakPolarHBondContact O-CA 3.39Å; A28-K34 WeakPolarHBondContact O-CG 3.48Å; K34-N281 CarbonylContact O-C 3.54Å; K34-N281 VanDerWaalsContact O-CA 3.23Å; K34-N281 WeakPolarHBondContact O-CA 3.45Å; K34-G282 PolarHBondContact O-N 2.89Å; K34-G282 VanDerWaalsContact O-N 3.11Å |
| 35 | A | 63 | Low | 65.8 | Low | 21 Ų | 21 | 79.3 Ų | 79.3 | 17% | 0.174 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 158.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | T27 A28 V313 | T27-A35 WeakPolarHBondContact CA-O 3.18Å; A28-A35 PolarHBondContact N-O 3.08Å; A28-A35 PolarHBondContact O-N 2.83Å; A35-V313 HydrophobicContact CB-CG1 4.42Å |
| 36 | L | 67.3 | Low | 66.3 | Low | 26 Ų | 26 | 80.3 Ų | 80.3 | 14% | 0.136 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.8 | 178.4 | -57.9 | 175.8 | 0 | 0 | 0 | 109 | T27 M326 N328 | T27-L36 HydrophobicContact CG2-CD2 3.45Å; T27-L36 VanDerWaalsContact CG2-CD2 3.45Å; L36-M326 HydrophobicContact CB-CE 4.09Å; L36-M326 HydrophobicContact CB-SD 4.34Å; L36-M326 HydrophobicContact CD1-CE 4.16Å; L36-N328 PolarHBondContact O-ND2 2.87Å |
| 37 | S | 63.6 | Low | 66.7 | Low | 42 Ų | 42 | 79.7 Ų | 79.7 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 172.8 | 173.3 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | Q25 C26 | Q25-S37 WeakPolarHBondContact CG-O 3.29Å; Q25-S37 PolarHBondContact NE2-O 3.15Å; C26-S37 WeakPolarHBondContact CB-OG 3.33Å; C26-S37 PolarHBondContact N-OG 3Å; C26-S37 PolarHBondContact O-N 2.93Å; C26-S37 PolarHBondContact O-OG 2.84Å |
| 38 | N | 57.5 | Low | 67.3 | Low | 101 Ų | 101 | 79 Ų | 79 | 54% | 0.54 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 154 | 155.9 | -63.5 | -23.7 | 0 | 0 | 0 | 110.3 | ||
| 39 | T | 60.2 | Low | 68.1 | Low | 44 Ų | 44 | 82 Ų | 82 | 27% | 0.27 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 145.4 | 175.9 | 69.7 | 0 | 0 | 0 | 0 | 110.8 | T23 Y24 Q25 Y324 | T23-T39 HydrophobicContact CG2-CG2 4.02Å; Y24-T39 CarbonylContact O-C 3.52Å; Y24-T39 WeakPolarHBondContact O-CA 3.27Å; Y24-T39 WeakPolarHBondContact O-CB 3.47Å; Q25-T39 HydrophobicContact CB-CG2 3.72Å; Q25-T39 HydrophobicContact CG-CG2 3.83Å; T39-Y324 WeakPolarHBondContact CB-OH 3.4Å; T39-Y324 WeakPolarHBondContact CG2-OH 3.23Å; T39-Y324 PolarHBondContact N-OH 3.48Å; T39-Y324 WeakPolarHBondContact OG1-CE1 3.34Å; T39-Y324 PolarHBondContact OG1-OH 3.1Å; T39-Y324 VanDerWaalsContact OG1-OH 3.07Å |
| 40 | I | 61 | Low | 68.7 | Low | 103 Ų | 103 | 79.2 Ų | 79.2 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122 | 177.9 | -57.7 | 173.1 | 0 | 0 | 0 | 107.6 | Y24 I42 | Y24-I40 PolarHBondContact N-O 3.17Å; Y24-I40 PolarHBondContact O-N 2.84Å; I40-I42 HydrophobicContact CG2-CD1 4.48Å; I40-I42 HydrophobicContact CG2-CG1 4.11Å |
| 41 | M | 67 | Low | 69.2 | Low | 106 Ų | 106 | 78.2 Ų | 78.2 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 128.1 | 171.1 | 179.5 | 171 | -81.1 | 0 | 0 | 110.1 | G22 T23 R43 | G22-M41 CarbonylContact O-C 3.53Å; G22-M41 WeakPolarHBondContact O-CA 3.39Å; T23-M41 VanDerWaalsContact OG1-CE 3.29Å; T23-M41 WeakPolarHBondContact OG1-CE 3.34Å; M41-R43 HydrophobicContact CG-CG 4.33Å; M41-R43 PolarHBondContact SD-NE 2.88Å; M41-R43 PolarHBondContact SD-NH2 2.83Å |
| 42 | I | 72.3 | Confident | 69.5 | Low | 58 Ų | 58 | 79.5 Ų | 79.5 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.9 | 178.2 | -65.3 | 174.7 | 0 | 0 | 0 | 108.9 | I10 E21 G22 Y24 I40 | I10-I42 HydrophobicContact CD1-CD1 3.26Å; E21-I42 WeakPolarHBondContact CA-O 3.4Å; G22-I42 PolarHBondContact N-O 2.9Å; G22-I42 VanDerWaalsContact N-O 3.11Å; G22-I42 PolarHBondContact O-N 2.64Å; Y24-I42 HydrophobicContact CD2-CB 4.44Å; Y24-I42 HydrophobicContact CD2-CD1 3.9Å; Y24-I42 HydrophobicContact CD2-CG1 4.25Å; Y24-I42 HydrophobicContact CE2-CB 4.1Å; Y24-I42 HydrophobicContact CE2-CD1 3.91Å; Y24-I42 HydrophobicContact CE2-CG1 4.3Å; I40-I42 HydrophobicContact CG2-CD1 4.48Å; I40-I42 HydrophobicContact CG2-CG1 4.11Å |
| 43 | R | 72.6 | Confident | 70 | Confident | 165 Ų | 165 | 76.2 Ų | 76.2 | 62% | 0.623 | 39% | 0.389 | S | S | * | . | trans | -141.8 | 146.5 | -180 | -61.6 | -174.5 | -174.5 | 179.8 | 2.3 | 109.5 | M41 | M41-R43 HydrophobicContact CG-CG 4.33Å; M41-R43 PolarHBondContact SD-NE 2.88Å; M41-R43 PolarHBondContact SD-NH2 2.83Å | ||
| 44 | Q | 76.1 | Confident | 70.4 | Confident | 76 Ų | 76 | 84.6 Ų | 84.6 | 36% | 0.355 | 42% | 0.423 | S | S | . | . | trans | -68.8 | 133.9 | 175 | -165.1 | -172.1 | 17.8 | 0 | 0 | 109.7 | A17 E21 R46 | A17-Q44 HydrophobicContact CB-CG 4.03Å; E21-Q44 HydrophobicContact CG-CB 4.32Å; E21-Q44 WeakPolarHBondContact OE1-CB 3.2Å; E21-Q44 PolarHBondContact OE1-N 2.82Å; Q44-R46 WeakPolarHBondContact O-CG 3.49Å | ||
| 45 | S | 74.6 | Confident | 70.6 | Confident | 52 Ų | 52 | 86.6 Ų | 86.6 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | trans | -70.2 | 142.3 | 170.4 | 61.2 | 0 | 0 | 0 | 0 | 110.4 | L76 | S45-L76 VanDerWaalsContact CA-O 3.29Å; S45-L76 WeakPolarHBondContact CA-O 3.48Å; S45-L76 WeakPolarHBondContact CB-O 3.39Å | ||
| 46 | R | 78.8 | Confident | 71.3 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -133.1 | 128.4 | -172.2 | -54.5 | -173.7 | -167.3 | -168.8 | 1.5 | 110.9 | E21 Q44 G75 L76 | E21-R46 IonicContact OE1-CZ 2.74Å; E21-R46 IonicContact OE1-NE 2.74Å; E21-R46 IonicContact OE1-NH2 2.63Å; E21-R46 PolarHBondContact OE1-NH2 3.48Å; E21-R46 IonicContact OE2-NH2 2.82Å; E21-R46 PolarHBondContact OE2-NH2 3Å; Q44-R46 WeakPolarHBondContact O-CG 3.49Å; R46-G75 WeakPolarHBondContact O-CA 3.33Å; R46-L76 HydrophobicContact CB-CB 4.38Å; R46-L76 HydrophobicContact CG-CB 4.44Å; R46-L76 HydrophobicContact CG-CD1 4.35Å; R46-L76 PolarHBondContact N-O 2.84Å; R46-L76 VanDerWaalsContact N-O 3.15Å; R46-L76 PolarHBondContact O-N 3.4Å |
| 47 | S | 79.3 | Confident | 72.3 | Confident | 38 Ų | 38 | 92.4 Ų | 92.4 | 27% | 0.266 | 47% | 0.466 | S | S | . | . | trans | -130.6 | 77.8 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | F125 T128 T130 | S47-F125 VanDerWaalsContact CB-CG 3.44Å; S47-T128 WeakPolarHBondContact CB-OG1 3.46Å; S47-T128 PolarHBondContact OG-OG1 2.62Å; S47-T130 VanDerWaalsContact CB-OG1 3.28Å; S47-T130 WeakPolarHBondContact CB-OG1 3.26Å; S47-T130 PolarHBondContact OG-OG1 3.28Å | ||
| 48 | P | 79.8 | Confident | 73.5 | Confident | 56 Ų | 56 | 92 Ų | 92 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 158.2 | -177.2 | -11.9 | 27.4 | 0 | 0 | 0 | 112.1 | P73 | P48-P73 HydrophobicContact CB-CB 3.91Å; P48-P73 HydrophobicContact CG-CB 4.23Å; P48-P73 WeakPolarHBondContact O-CB 3.32Å; P48-P73 WeakPolarHBondContact O-CG 3.42Å |
| 49 | L | 81.2 | Confident | 75.1 | Confident | 130 Ų | 130 | 90.9 Ų | 90.9 | 68% | 0.681 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 154.3 | 174 | -59.5 | 179.4 | 0 | 0 | 0 | 111.4 | ||
| 50 | W | 79.4 | Confident | 76.5 | Confident | 35 Ų | 35 | 89.4 Ų | 89.4 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 142.9 | 167.2 | -109.7 | -73.3 | 0 | 0 | 0 | 111.1 | C70 R71 P72 P73 A123 Q132 K134 | W50-C70 PolarHBondContact NE1-O 3.02Å; W50-R71 PolarHBondContact NE1-O 3.31Å; W50-P72 HydrophobicContact CH2-CB 4.29Å; W50-P72 HydrophobicContact CZ2-CB 4.08Å; W50-P73 HydrophobicContact CD2-CG 4.12Å; W50-P73 HydrophobicContact CE3-CG 4.31Å; W50-P73 HydrophobicContact CG-CG 4.2Å; W50-A123 HydrophobicContact CH2-CB 3.6Å; W50-A123 HydrophobicContact CZ3-CB 3.66Å; W50-Q132 HydrophobicContact CE3-CB 3.81Å; W50-Q132 HydrophobicContact CZ3-CB 3.83Å; W50-K134 HydrophobicContact CD2-CB 4.37Å; W50-K134 HydrophobicContact CH2-CB 4.47Å; W50-K134 HydrophobicContact CZ2-CB 4.1Å |
| 51 | S | 74.3 | Confident | 77.8 | Confident | 87 Ų | 87 | 88.7 Ų | 88.7 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 143 | 164.9 | 46.2 | 0 | 0 | 0 | 0 | 110.2 | E53 | S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.83Å |
| 52 | K | 66.9 | Low | 78.7 | Confident | 207 Ų | 207 | 87.8 Ų | 87.8 | 90% | 0.9 | 44% | 0.439 | S | S | * | . | trans | -71 | 84.4 | 174.2 | -70.3 | -174.7 | 179 | -179.3 | 0 | 110.3 | ||||
| 53 | E | 67.1 | Low | 79.1 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 27% | 0.266 | 43% | 0.427 | S | S | . | . | trans | -68.7 | -179.9 | 162.8 | -65.1 | -172.7 | 147 | 0 | 0 | 110 | S51 R71 K134 Q135 | S51-E53 VanDerWaalsContact C-N 3.29Å; S51-E53 PolarHBondContact O-N 2.83Å; E53-R71 IonicContact OE1-NH1 2.79Å; E53-R71 PolarHBondContact OE1-NH1 2.83Å; E53-K134 WeakPolarHBondContact OE2-CE 3.48Å; E53-K134 IonicContact OE2-NZ 3.45Å; E53-K134 PolarHBondContact OE2-NZ 3.38Å; E53-Q135 PolarHBondContact O-NE2 3.28Å; E53-Q135 PolarHBondContact O-OE1 2.95Å; E53-Q135 VanDerWaalsContact O-OE1 3.1Å | ||
| 54 | K | 69.4 | Low | 79.8 | Confident | 188 Ų | 188 | 78.9 Ų | 78.9 | 82% | 0.817 | 41% | 0.407 | S | S | * | . | trans | -108.2 | 153.3 | 173.7 | -65.5 | -179.5 | 179.2 | 179.9 | 0 | 109.2 | E56 | K54-E56 PolarHBondContact O-N 2.94Š| ||
| 55 | N | 71 | Confident | 80.4 | Confident | 120 Ų | 120 | 75.5 Ų | 75.5 | 64% | 0.642 | 39% | 0.391 | S | S | * | . | trans | -49.3 | 116.9 | 169.7 | -68.5 | 13.4 | 0 | 0 | 0 | 109.9 | Q135 | N55-Q135 PolarHBondContact OD1-OE1 3.48Š| ||
| 56 | E | 78.4 | Confident | 81.1 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.3 | -174.9 | -170.3 | 170 | -160.5 | 0 | 0 | 109.1 | K54 I58 I137 S138 | K54-E56 PolarHBondContact O-N 2.94Å; E56-I58 HydrophobicContact CG-CD1 4.26Å; E56-I58 HydrophobicContact CG-CG1 3.91Å; E56-I137 HydrophobicContact CB-CG2 4.33Å; E56-S138 PolarHBondContact O-N 2.85Å |
| 57 | V | 87.9 | Confident | 81.7 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 109.1 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | S138 V140 | V57-S138 CarbonylContact C-O 3.53Å; V57-S138 WeakPolarHBondContact CA-O 3.29Å; V57-V140 HydrophobicContact CG1-CG2 4.22Å |
| 58 | I | 89.3 | Confident | 82.2 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 17% | 0.169 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.9 | -175.4 | -52 | 179.4 | 0 | 0 | 0 | 109.3 | E56 L66 L68 I137 S138 V139 V140 | E56-I58 HydrophobicContact CG-CD1 4.26Å; E56-I58 HydrophobicContact CG-CG1 3.91Å; I58-L66 HydrophobicContact CD1-CD1 4.41Å; I58-L66 HydrophobicContact CG2-CD1 3.79Å; I58-L68 HydrophobicContact CD1-CD2 3.74Å; I58-I137 HydrophobicContact CD1-CG2 3.89Å; I58-I137 HydrophobicContact CG1-CG2 4.25Å; I58-S138 PolarHBondContact N-O 2.85Å; I58-V139 WeakPolarHBondContact O-CA 3.28Å; I58-V140 PolarHBondContact O-N 2.66Å |
| 59 | S | 90.3 | Very high | 82.6 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 55% | 0.545 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 124.7 | 170.1 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | V140 | S59-V140 WeakPolarHBondContact CA-O 3.49Å |
| 60 | V | 89.3 | Confident | 82.9 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 145.7 | -174.7 | 63 | 0 | 0 | 0 | 0 | 110.2 | V64 L66 V110 V139 V140 V141 L142 | V60-V64 HydrophobicContact CG2-CB 4.05Å; V60-V64 HydrophobicContact CG2-CG1 4.26Å; V60-L66 HydrophobicContact CG1-CD2 4.3Å; V60-V110 HydrophobicContact CG1-CB 4.38Å; V60-V110 HydrophobicContact CG1-CG1 3.82Å; V60-V110 HydrophobicContact CG1-CG2 4.37Å; V60-V110 HydrophobicContact CG2-CG2 4.42Å; V60-V139 HydrophobicContact CG1-CG1 3.99Å; V60-V140 PolarHBondContact N-O 2.88Å; V60-V141 HydrophobicContact CG1-CG2 4.25Å; V60-V141 CarbonylContact O-C 3.53Å; V60-V141 WeakPolarHBondContact O-CA 3.37Å; V60-L142 PolarHBondContact O-N 2.92Å |
| 61 | Q | 88.1 | Confident | 83.2 | Confident | 87 Ų | 87 | 66.6 Ų | 66.6 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 145.4 | 177.9 | -64.9 | 172.7 | -79.5 | 0 | 0 | 111.2 | G63 V64 L142 S144 | Q61-G63 PolarHBondContact O-N 3.44Å; Q61-V64 HydrophobicContact CB-CG2 3.87Å; Q61-V64 WeakPolarHBondContact O-CB 3.41Å; Q61-V64 PolarHBondContact O-N 3.14Å; Q61-L142 HydrophobicContact CG-CB 4.42Å; Q61-S144 PolarHBondContact NE2-OG 2.8Å |
| 62 | K | 86.1 | Confident | 83.6 | Confident | 87 Ų | 87 | 64 Ų | 64 | 38% | 0.378 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.4 | 174.1 | -178.1 | -179 | 179.9 | 174.4 | 0 | 111 | V64 P112 V141 L142 | K62-V64 VanDerWaalsContact C-N 3.35Å; K62-P112 HydrophobicContact CD-CG 3.87Å; K62-P112 HydrophobicContact CG-CG 4.44Å; K62-V141 HydrophobicContact CB-CG1 4.15Å; K62-L142 PolarHBondContact N-O 2.88Å |
| 63 | G | 82.3 | Confident | 84.4 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -20.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | Q61 N109 V110 | Q61-G63 PolarHBondContact O-N 3.44Å; G63-N109 WeakPolarHBondContact O-CB 3.34Å; G63-V110 PolarHBondContact N-O 2.73Å |
| 64 | V | 86.4 | Confident | 85.1 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | trans | -72.3 | 152.2 | 176.3 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | V60 Q61 K62 N109 V110 | V60-V64 HydrophobicContact CG2-CB 4.05Å; V60-V64 HydrophobicContact CG2-CG1 4.26Å; Q61-V64 HydrophobicContact CB-CG2 3.87Å; Q61-V64 WeakPolarHBondContact O-CB 3.41Å; Q61-V64 PolarHBondContact O-N 3.14Å; K62-V64 VanDerWaalsContact C-N 3.35Å; V64-N109 CarbonylContact O-C 3.58Å; V64-N109 WeakPolarHBondContact O-CA 3.35Å; V64-V110 WeakPolarHBondContact O-CB 3.39Å; V64-V110 WeakPolarHBondContact O-CG2 3.22Å; V64-V110 PolarHBondContact O-N 2.8Å | ||
| 65 | S | 88.7 | Confident | 85.6 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 27% | 0.268 | C | S | . | . | trans | -88.7 | 142.6 | 176.1 | 65.8 | 0 | 0 | 0 | 0 | 112.1 | F107 K155 E179 | S65-F107 VanDerWaalsContact CA-O 3.23Å; S65-F107 WeakPolarHBondContact CA-O 3.37Å; S65-F107 VanDerWaalsContact CB-O 3.23Å; S65-F107 WeakPolarHBondContact CB-O 3.4Å; S65-K155 PolarHBondContact O-NZ 3.32Å; S65-K155 WeakPolarHBondContact OG-CE 3.19Å; S65-K155 PolarHBondContact OG-NZ 2.83Å; S65-E179 WeakPolarHBondContact CB-OE2 3.49Å; S65-E179 PolarHBondContact OG-OE2 2.65Å | ||
| 66 | L | 89.8 | Confident | 85.8 | Confident | 14 Ų | 14 | 45.5 Ų | 45.5 | 7% | 0.073 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 149.8 | -174.5 | 175.5 | 63.5 | 0 | 0 | 0 | 111 | I58 V60 L68 F107 V110 V139 | I58-L66 HydrophobicContact CD1-CD1 4.41Å; I58-L66 HydrophobicContact CG2-CD1 3.79Å; V60-L66 HydrophobicContact CG1-CD2 4.3Å; L66-L68 HydrophobicContact CD1-CD2 4.11Å; L66-L68 HydrophobicContact CD2-CD2 3.84Å; L66-L68 HydrophobicContact CG-CD2 3.92Å; L66-F107 HydrophobicContact CB-CB 4.09Å; L66-F107 HydrophobicContact CB-CD2 4.19Å; L66-F107 HydrophobicContact CB-CG 4.33Å; L66-F107 HydrophobicContact CD2-CD2 4.33Å; L66-F107 HydrophobicContact CG-CD2 4.27Å; L66-F107 PolarHBondContact N-O 2.89Å; L66-F107 VanDerWaalsContact N-O 3.1Å; L66-F107 PolarHBondContact O-N 2.85Å; L66-V110 HydrophobicContact CB-CG2 3.46Å; L66-V110 VanDerWaalsContact CB-CG2 3.46Å; L66-V110 HydrophobicContact CD2-CG2 4.09Å; L66-V110 HydrophobicContact CG-CG2 4.44Å; L66-V139 HydrophobicContact CD2-CG1 3.75Å; L66-V139 HydrophobicContact CD2-CG2 3.95Å |
| 67 | V | 89.9 | Confident | 85.7 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.8 | 171.6 | -166.8 | 0 | 0 | 0 | 0 | 107.9 | D104 L105 Y106 | V67-D104 HydrophobicContact CG1-CB 4.03Å; V67-L105 CarbonylContact C-O 3.46Å; V67-L105 WeakPolarHBondContact CA-O 3.38Å; V67-Y106 HydrophobicContact CB-CD2 4.43Å; V67-Y106 HydrophobicContact CG1-CD2 4.25Å; V67-Y106 HydrophobicContact CG2-CD2 3.5Å; V67-Y106 VanDerWaalsContact CG2-CD2 3.5Å; V67-Y106 HydrophobicContact CG2-CE2 3.59Å; V67-Y106 HydrophobicContact CG2-CG 4.38Å |
| 68 | L | 90.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 111.3 | 173.7 | -53.6 | -174.5 | 0 | 0 | 0 | 108.6 | I58 L66 C70 W83 D104 L105 F107 Y119 I137 V139 | I58-L68 HydrophobicContact CD1-CD2 3.74Å; L66-L68 HydrophobicContact CD1-CD2 4.11Å; L66-L68 HydrophobicContact CD2-CD2 3.84Å; L66-L68 HydrophobicContact CG-CD2 3.92Å; L68-C70 PolarHBondContact O-N 2.95Å; L68-W83 HydrophobicContact CB-CH2 3.71Å; L68-W83 HydrophobicContact CB-CZ2 4.17Å; L68-W83 HydrophobicContact CB-CZ3 4.33Å; L68-W83 HydrophobicContact CD1-CZ3 4.46Å; L68-W83 WeakPolarHBondContact O-CZ2 3.48Å; L68-D104 WeakPolarHBondContact O-CA 3.41Å; L68-D104 WeakPolarHBondContact O-CB 3.45Å; L68-L105 HydrophobicContact CB-CB 4.21Å; L68-L105 HydrophobicContact CD1-CD2 4.29Å; L68-L105 PolarHBondContact N-O 2.86Å; L68-L105 PolarHBondContact O-N 2.85Å; L68-F107 HydrophobicContact CD1-CE2 3.93Å; L68-F107 HydrophobicContact CD1-CZ 4.4Å; L68-F107 HydrophobicContact CG-CE2 3.99Å; L68-Y119 HydrophobicContact CD1-CD1 3.79Å; L68-Y119 HydrophobicContact CD1-CD2 3.79Å; L68-Y119 HydrophobicContact CD1-CE1 4.36Å; L68-Y119 HydrophobicContact CD1-CE2 4.33Å; L68-Y119 HydrophobicContact CD1-CG 3.48Å; L68-Y119 VanDerWaalsContact CD1-CG 3.48Å; L68-I137 HydrophobicContact CB-CD1 4.3Å; L68-I137 HydrophobicContact CD2-CG2 4.11Å; L68-V139 HydrophobicContact CD1-CG2 4.23Å; L68-V139 HydrophobicContact CD2-CG2 3.86Å |
| 69 | P | 88.5 | Confident | 85.1 | Confident | 19 Ų | 19 | 44 Ų | 44 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | trans | -76 | 119.4 | -174.7 | 29.1 | -33.3 | 0 | 0 | 0 | 111 | R71 D104 K134 | P69-R71 HydrophobicContact CB-CG 4.26Å; P69-D104 WeakPolarHBondContact CA-OD1 3.3Å; P69-K134 PolarHBondContact O-NZ 2.89Å | ||
| 70 | C | 86.4 | Confident | 85 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -77 | -53.7 | 174 | -178 | 0 | 0 | 0 | 0 | 111 | W50 L68 I81 W83 D104 C121 K134 | W50-C70 PolarHBondContact NE1-O 3.02Å; L68-C70 PolarHBondContact O-N 2.95Å; C70-I81 VanDerWaalsContact SG-CG2 3.52Å; C70-W83 HydrophobicContact CB-CZ2 3.78Å; C70-D104 PolarHBondContact N-OD1 3.45Å; C70-C121 HydrophobicContact CB-CB 3.83Å; C70-C121 WeakPolarHBondContact CB-SG 3.26Å; C70-C121 WeakPolarHBondContact SG-CB 3.21Å; C70-C121 CovalentContact SG-SG 2.04Å; C70-C121 PolarHBondContact SG-SG 2.95Å; C70-K134 WeakPolarHBondContact O-CD 3.23Å | ||
| 71 | R | 85.8 | Confident | 84.9 | Confident | 145 Ų | 145 | 44.6 Ų | 44.6 | 55% | 0.547 | 25% | 0.254 | S | S | . | . | trans | 48.3 | 64.4 | -176.2 | -55.4 | 177.5 | -171.9 | 141.6 | 4.1 | 113.2 | W50 E53 P69 | W50-R71 PolarHBondContact NE1-O 3.31Å; E53-R71 IonicContact OE1-NH1 2.79Å; E53-R71 PolarHBondContact OE1-NH1 2.83Å; P69-R71 HydrophobicContact CB-CG 4.26Å | ||
| 72 | P | 83.9 | Confident | 84.9 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 21% | 0.214 | 24% | 0.243 | C | C | . | . | trans | -66.5 | 155.1 | 179.7 | 32.3 | -38.8 | 0 | 0 | 0 | 112.2 | W50 P79 I81 A123 | W50-P72 HydrophobicContact CH2-CB 4.29Å; W50-P72 HydrophobicContact CZ2-CB 4.08Å; P72-P79 HydrophobicContact CB-CG 4.18Å; P72-I81 HydrophobicContact CB-CG1 4.47Å; P72-I81 HydrophobicContact CG-CD1 3.71Å; P72-I81 HydrophobicContact CG-CG1 4.1Å; P72-A123 HydrophobicContact CB-CB 4.06Å | ||
| 73 | P | 83.3 | Confident | 85.1 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -64.9 | 138.6 | 173.2 | -18 | 31.8 | 0 | 0 | 0 | 111.5 | P48 W50 G75 F125 | P48-P73 HydrophobicContact CB-CB 3.91Å; P48-P73 HydrophobicContact CG-CB 4.23Å; P48-P73 WeakPolarHBondContact O-CB 3.32Å; P48-P73 WeakPolarHBondContact O-CG 3.42Å; W50-P73 HydrophobicContact CD2-CG 4.12Å; W50-P73 HydrophobicContact CE3-CG 4.31Å; W50-P73 HydrophobicContact CG-CG 4.2Å; P73-G75 PolarHBondContact O-N 2.85Å; P73-F125 HydrophobicContact CB-CZ 4.24Å; P73-F125 HydrophobicContact CG-CZ 4.46Å | ||
| 74 | A | 80.6 | Confident | 85.3 | Confident | 92 Ų | 92 | 39.6 Ų | 39.6 | 76% | 0.76 | 23% | 0.23 | S | C | * | . | trans | -68.1 | 103.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 75 | G | 80.3 | Confident | 85.1 | Confident | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | trans | -89.2 | 162.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R46 P73 P77 | R46-G75 WeakPolarHBondContact O-CA 3.33Å; P73-G75 PolarHBondContact O-N 2.85Å; G75-P77 VanDerWaalsContact C-C 3.44Å; G75-P77 CarbonylContact C-O 3.59Å; G75-P77 CarbonylContact O-C 3.55Å; G75-P77 VanDerWaalsContact O-C 3.3Å | ||
| 76 | L | 76.8 | Confident | 84.7 | Confident | 69 Ų | 69 | 42.7 Ų | 42.7 | 36% | 0.361 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -121.9 | 109.9 | 163.8 | -71.6 | 176.4 | 0 | 0 | 0 | 108.8 | S45 R46 | S45-L76 VanDerWaalsContact CA-O 3.29Å; S45-L76 WeakPolarHBondContact CA-O 3.48Å; S45-L76 WeakPolarHBondContact CB-O 3.39Å; R46-L76 HydrophobicContact CB-CB 4.38Å; R46-L76 HydrophobicContact CG-CB 4.44Å; R46-L76 HydrophobicContact CG-CD1 4.35Å; R46-L76 PolarHBondContact N-O 2.84Å; R46-L76 VanDerWaalsContact N-O 3.15Å; R46-L76 PolarHBondContact O-N 3.4Å |
| 77 | P | 76.3 | Confident | 84.2 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | S | Bend | cis | -65.7 | 172.8 | -12.3 | 34.7 | -40.1 | 0 | 0 | 0 | 112.2 | G75 P126 Y127 | G75-P77 VanDerWaalsContact C-C 3.44Å; G75-P77 CarbonylContact C-O 3.59Å; G75-P77 CarbonylContact O-C 3.55Å; G75-P77 VanDerWaalsContact O-C 3.3Å; P77-P126 HydrophobicContact CG-CG 3.98Å; P77-Y127 VanDerWaalsContact CD-CD2 3.41Å; P77-Y127 HydrophobicContact CG-CD2 3.48Å; P77-Y127 VanDerWaalsContact CG-CD2 3.48Å; P77-Y127 HydrophobicContact CG-CE2 3.67Å |
| 78 | P | 78.7 | Confident | 83.5 | Confident | 101 Ų | 101 | 51.6 Ų | 51.6 | 66% | 0.656 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 141.4 | 174 | -27.5 | 36.1 | 0 | 0 | 0 | 112.9 | ||
| 79 | P | 85.7 | Confident | 83 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 12% | 0.117 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 153.9 | 179.3 | 29.8 | -34.5 | 0 | 0 | 0 | 112.3 | P72 A123 R124 F125 | P72-P79 HydrophobicContact CB-CG 4.18Å; P79-A123 HydrophobicContact CB-CB 3.96Å; P79-A123 HydrophobicContact CG-CB 4.19Å; P79-R124 CarbonylContact C-O 3.57Å; P79-R124 WeakPolarHBondContact CA-O 3.14Å; P79-F125 HydrophobicContact CB-CD1 3.84Å; P79-F125 HydrophobicContact CB-CD2 4.34Å; P79-F125 HydrophobicContact CB-CE1 3.78Å; P79-F125 HydrophobicContact CB-CE2 4.28Å; P79-F125 HydrophobicContact CB-CG 4.12Å; P79-F125 HydrophobicContact CB-CZ 4Å; P79-F125 HydrophobicContact CG-CD1 4.35Å; P79-F125 HydrophobicContact CG-CE1 3.83Å; P79-F125 HydrophobicContact CG-CZ 4.05Å |
| 80 | V | 86.6 | Confident | 82.6 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.6 | 168.9 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | R124 | V80-R124 PolarHBondContact N-O 2.91Å; V80-R124 PolarHBondContact O-N 3.19Å |
| 81 | I | 88.1 | Confident | 82.5 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 133.4 | -168.4 | -45.7 | 159.8 | 0 | 0 | 0 | 110.3 | C70 P72 Q99 C121 Y122 | C70-I81 VanDerWaalsContact SG-CG2 3.52Å; P72-I81 HydrophobicContact CB-CG1 4.47Å; P72-I81 HydrophobicContact CG-CD1 3.71Å; P72-I81 HydrophobicContact CG-CG1 4.1Å; I81-Q99 PolarHBondContact O-NE2 2.84Å; I81-C121 WeakPolarHBondContact CG2-SG 3.28Å; I81-Y122 WeakPolarHBondContact CA-O 3.2Å |
| 82 | F | 88.5 | Confident | 82.2 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 18% | 0.184 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 153.9 | 178.8 | 51.4 | -78.8 | 0 | 0 | 0 | 111.6 | M84 Y122 R124 | F82-M84 HydrophobicContact CD2-CE 4.48Å; F82-M84 HydrophobicContact CD2-CG 3.79Å; F82-M84 HydrophobicContact CD2-SD 3.89Å; F82-M84 HydrophobicContact CE2-CE 3.89Å; F82-M84 HydrophobicContact CE2-CG 4.16Å; F82-M84 HydrophobicContact CE2-SD 3.73Å; F82-Y122 HydrophobicContact CE2-CD2 4.5Å; F82-Y122 HydrophobicContact CE2-CG 4.05Å; F82-Y122 HydrophobicContact CZ-CG 4.46Å; F82-Y122 PolarHBondContact N-O 2.83Å; F82-Y122 PolarHBondContact O-N 3.29Å; F82-R124 HydrophobicContact CE1-CB 3.9Å |
| 83 | W | 90.1 | Very high | 82.4 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.9 | 178.2 | -70.3 | 81.3 | 0 | 0 | 0 | 110.9 | L68 C70 L91 G103 L105 I120 C121 I137 | L68-W83 HydrophobicContact CB-CH2 3.71Å; L68-W83 HydrophobicContact CB-CZ2 4.17Å; L68-W83 HydrophobicContact CB-CZ3 4.33Å; L68-W83 HydrophobicContact CD1-CZ3 4.46Å; L68-W83 WeakPolarHBondContact O-CZ2 3.48Å; C70-W83 HydrophobicContact CB-CZ2 3.78Å; W83-L91 HydrophobicContact CB-CB 4.28Å; W83-L91 HydrophobicContact CB-CD1 3.81Å; W83-L91 PolarHBondContact O-N 2.89Å; W83-G103 PolarHBondContact NE1-O 3.2Å; W83-L105 HydrophobicContact CD2-CB 4.02Å; W83-L105 HydrophobicContact CD2-CD2 4.29Å; W83-L105 HydrophobicContact CG-CB 4.31Å; W83-L105 HydrophobicContact CG-CD2 4.36Å; W83-L105 HydrophobicContact CZ2-CB 3.96Å; W83-I120 WeakPolarHBondContact CA-O 3.46Å; W83-I120 VanDerWaalsContact CE3-C 3.43Å; W83-C121 HydrophobicContact CD2-CB 3.89Å; W83-C121 HydrophobicContact CE3-CB 3.98Å; W83-C121 HydrophobicContact CH2-CB 3.83Å; W83-C121 HydrophobicContact CZ2-CB 3.73Å; W83-C121 HydrophobicContact CZ3-CB 3.94Å; W83-I137 HydrophobicContact CH2-CD1 4.05Å; W83-I137 HydrophobicContact CZ3-CD1 4.42Å |
| 84 | M | 86.1 | Confident | 82.7 | Confident | 28 Ų | 28 | 66 Ų | 66 | 14% | 0.138 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 173.4 | 174.1 | -45.1 | -168.2 | -63.3 | 0 | 0 | 110 | F82 F88 Q89 I120 Y122 | F82-M84 HydrophobicContact CD2-CE 4.48Å; F82-M84 HydrophobicContact CD2-CG 3.79Å; F82-M84 HydrophobicContact CD2-SD 3.89Å; F82-M84 HydrophobicContact CE2-CE 3.89Å; F82-M84 HydrophobicContact CE2-CG 4.16Å; F82-M84 HydrophobicContact CE2-SD 3.73Å; M84-F88 HydrophobicContact CE-CB 4.45Å; M84-F88 HydrophobicContact CE-CD1 3.96Å; M84-Q89 CarbonylContact C-O 3.51Å; M84-Q89 WeakPolarHBondContact CA-O 3.49Å; M84-Q89 WeakPolarHBondContact CB-O 3.46Å; M84-I120 PolarHBondContact N-O 3.39Å; M84-I120 WeakPolarHBondContact O-CB 3.38Å; M84-I120 PolarHBondContact O-N 2.98Å; M84-I120 VanDerWaalsContact O-N 3.08Å; M84-I120 VanDerWaalsContact O-O 3.13Å; M84-Y122 HydrophobicContact CB-CD2 4.09Å; M84-Y122 HydrophobicContact CB-CE2 3.71Å; M84-Y122 HydrophobicContact CE-CD1 3.99Å; M84-Y122 HydrophobicContact CE-CD2 3.69Å; M84-Y122 HydrophobicContact CE-CE1 3.75Å; M84-Y122 HydrophobicContact CE-CE2 3.45Å; M84-Y122 VanDerWaalsContact CE-CE2 3.45Å; M84-Y122 HydrophobicContact CE-CG 3.95Å; M84-Y122 VanDerWaalsContact CE-CZ 3.48Å; M84-Y122 HydrophobicContact CG-CD2 4Å; M84-Y122 HydrophobicContact CG-CE2 4.07Å |
| 85 | D | 83.3 | Confident | 82.9 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | trans | -107.2 | -175.3 | 175.7 | 76.5 | 3.5 | 0 | 0 | 0 | 114.2 | N87 F88 Q89 R116 | D85-N87 PolarHBondContact O-N 3.1Å; D85-N87 WeakPolarHBondContact OD1-CA 3.16Å; D85-N87 WeakPolarHBondContact OD1-CB 3.39Å; D85-N87 PolarHBondContact OD1-N 2.89Å; D85-F88 PolarHBondContact O-N 3.08Å; D85-F88 PolarHBondContact OD1-N 2.92Å; D85-Q89 PolarHBondContact N-O 2.93Å; D85-Q89 PolarHBondContact OD1-N 2.81Å; D85-R116 IonicContact OD2-CZ 3.16Å; D85-R116 IonicContact OD2-NH1 3.04Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 2.96Å | ||
| 86 | N | 78.7 | Confident | 83.4 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -18 | 178.6 | -85.3 | -24.2 | 0 | 0 | 0 | 114.1 | F88 D118 | N86-F88 VanDerWaalsContact C-N 3.32Å; N86-D118 HydrophobicContact CB-CB 4.19Å; N86-D118 PolarHBondContact N-OD2 2.85Å; N86-D118 VanDerWaalsContact ND2-CB 3.28Å; N86-D118 WeakPolarHBondContact ND2-CB 3.18Å |
| 87 | N | 79.1 | Confident | 84.1 | Confident | 115 Ų | 115 | 65 Ų | 65 | 62% | 0.615 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 9.9 | 176.7 | -54.6 | -60.2 | 0 | 0 | 0 | 112 | D85 Q89 | D85-N87 PolarHBondContact O-N 3.1Å; D85-N87 WeakPolarHBondContact OD1-CA 3.16Å; D85-N87 WeakPolarHBondContact OD1-CB 3.39Å; D85-N87 PolarHBondContact OD1-N 2.89Å; N87-Q89 HydrophobicContact CB-CG 4.23Å; N87-Q89 PolarHBondContact O-N 3.25Å |
| 88 | F | 76.3 | Confident | 84.7 | Confident | 141 Ų | 141 | 62.6 Ų | 62.6 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | trans | 58.4 | 20.6 | -171.2 | -54.7 | -83 | 0 | 0 | 0 | 113.9 | M84 D85 N86 | M84-F88 HydrophobicContact CE-CB 4.45Å; M84-F88 HydrophobicContact CE-CD1 3.96Å; D85-F88 PolarHBondContact O-N 3.08Å; D85-F88 PolarHBondContact OD1-N 2.92Å; N86-F88 VanDerWaalsContact C-N 3.32Å | ||
| 89 | Q | 79.4 | Confident | 85.1 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 129.5 | 173.9 | -64.4 | -167.1 | -6 | 0 | 0 | 109.7 | M84 D85 N87 L91 | M84-Q89 CarbonylContact C-O 3.51Å; M84-Q89 WeakPolarHBondContact CA-O 3.49Å; M84-Q89 WeakPolarHBondContact CB-O 3.46Å; D85-Q89 PolarHBondContact N-O 2.93Å; D85-Q89 PolarHBondContact OD1-N 2.81Å; N87-Q89 HydrophobicContact CB-CG 4.23Å; N87-Q89 PolarHBondContact O-N 3.25Å; Q89-L91 PolarHBondContact O-N 2.63Å |
| 90 | K | 81.8 | Confident | 85.1 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | B | Isolated β-bridge | trans | -64.1 | 126.6 | 176.4 | -174.8 | -179.3 | 179 | -177.6 | 0 | 109.6 | ||
| 91 | L | 83.8 | Confident | 84.9 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -65 | 126.9 | -177.1 | -82.9 | 157.4 | 0 | 0 | 0 | 110.7 | W83 Q89 L93 Y119 | W83-L91 HydrophobicContact CB-CB 4.28Å; W83-L91 HydrophobicContact CB-CD1 3.81Å; W83-L91 PolarHBondContact O-N 2.89Å; Q89-L91 PolarHBondContact O-N 2.63Å; L91-L93 PolarHBondContact O-N 3.01Å; L91-Y119 HydrophobicContact CD1-CD1 3.66Å; L91-Y119 HydrophobicContact CD1-CE1 4.24Å; L91-Y119 HydrophobicContact CD2-CD1 4.3Å; L91-Y119 HydrophobicContact CD2-CE1 4.1Å |
| 92 | P | 79.3 | Confident | 84.5 | Confident | 103 Ų | 103 | 59.7 Ų | 59.7 | 67% | 0.669 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -73.1 | 119.4 | -173.9 | 27.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 93 | L | 87.3 | Confident | 84.3 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 29% | 0.288 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 149.6 | 174.2 | -55.7 | -178.3 | 0 | 0 | 0 | 110.8 | L91 V97 Q99 L105 F205 | L91-L93 PolarHBondContact O-N 3.01Å; L93-V97 CarbonylContact C-O 3.44Å; L93-V97 VanDerWaalsContact CA-O 3.26Å; L93-V97 WeakPolarHBondContact CA-O 3.3Å; L93-V97 WeakPolarHBondContact CB-O 3.33Å; L93-Q99 HydrophobicContact CD1-CB 3.91Å; L93-Q99 HydrophobicContact CD2-CB 4.48Å; L93-L105 HydrophobicContact CD2-CD1 3.56Å; L93-F205 HydrophobicContact CB-CE2 3.9Å; L93-F205 WeakPolarHBondContact O-CZ 3.45Å |
| 94 | N | 89.4 | Confident | 84.3 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | trans | -155 | -178.4 | 179.2 | 59.4 | 65 | 0 | 0 | 0 | 110.3 | R96 V97 F205 | N94-R96 PolarHBondContact O-N 2.92Å; N94-R96 VanDerWaalsContact O-N 3.09Å; N94-R96 WeakPolarHBondContact OD1-CA 3.49Å; N94-R96 VanDerWaalsContact OD1-CB 3.25Å; N94-R96 WeakPolarHBondContact OD1-CB 3.15Å; N94-R96 PolarHBondContact OD1-N 2.96Å; N94-V97 PolarHBondContact N-O 3.04Å; N94-V97 CarbonylContact O-C 3.56Å; N94-V97 PolarHBondContact O-N 3.03Å; N94-V97 PolarHBondContact OD1-N 2.95Å; N94-F205 VanDerWaalsContact C-CD2 3.41Å; N94-F205 VanDerWaalsContact CA-CZ 3.46Å; N94-F205 VanDerWaalsContact N-CE2 3.33Å; N94-F205 WeakPolarHBondContact O-CD2 3.37Å | ||
| 95 | K | 86.4 | Confident | 84.5 | Confident | 104 Ų | 104 | 57 Ų | 57 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -52 | -34.7 | 177.7 | -72.2 | -168.9 | 176.8 | -168.2 | 0 | 113.3 | T183 D185 F205 K207 | K95-T183 HydrophobicContact CB-CG2 4.22Å; K95-T183 WeakPolarHBondContact O-CG2 3.5Å; K95-D185 WeakPolarHBondContact CD-OD1 3.39Å; K95-D185 WeakPolarHBondContact CE-OD1 3.42Å; K95-D185 VanDerWaalsContact NZ-CG 3.25Å; K95-D185 IonicContact NZ-OD1 2.78Å; K95-D185 PolarHBondContact NZ-OD1 3.11Å; K95-D185 IonicContact NZ-OD2 2.82Å; K95-D185 PolarHBondContact NZ-OD2 2.97Å; K95-F205 HydrophobicContact CG-CB 4.2Å; K95-F205 HydrophobicContact CG-CD1 4.39Å; K95-F205 HydrophobicContact CG-CG 4.47Å; K95-K207 WeakPolarHBondContact O-CE 3.31Å; K95-K207 PolarHBondContact O-NZ 3.47Å |
| 96 | R | 90.2 | Very high | 84.8 | Confident | 31 Ų | 31 | 57.4 Ų | 57.4 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -84.1 | -40.1 | -179 | -174.7 | -178.7 | 68.6 | 80.7 | -8.6 | 112.7 | N94 F107 S108 N109 D114 T183 | N94-R96 PolarHBondContact O-N 2.92Å; N94-R96 VanDerWaalsContact O-N 3.09Å; N94-R96 WeakPolarHBondContact OD1-CA 3.49Å; N94-R96 VanDerWaalsContact OD1-CB 3.25Å; N94-R96 WeakPolarHBondContact OD1-CB 3.15Å; N94-R96 PolarHBondContact OD1-N 2.96Å; R96-F107 WeakPolarHBondContact O-CA 3.34Å; R96-S108 PolarHBondContact O-N 2.65Å; R96-N109 WeakPolarHBondContact CD-O 3.49Å; R96-N109 WeakPolarHBondContact CD-OD1 3.14Å; R96-N109 VanDerWaalsContact CG-O 3.3Å; R96-N109 WeakPolarHBondContact CG-O 3.18Å; R96-N109 PolarHBondContact NH1-O 3.27Å; R96-D114 IonicContact CZ-OD1 2.73Å; R96-D114 IonicContact CZ-OD2 3.64Å; R96-D114 IonicContact NH1-OD1 2.56Å; R96-D114 PolarHBondContact NH1-OD1 2.72Å; R96-D114 IonicContact NH1-OD2 3.78Å; R96-D114 PolarHBondContact NH1-OD2 3.07Å; R96-D114 IonicContact NH2-OD1 3.52Å; R96-D114 PolarHBondContact NH2-OD1 2.97Å; R96-D114 IonicContact NH2-OD2 2.75Å; R96-D114 PolarHBondContact NH2-OD2 3Å; R96-T183 HydrophobicContact CB-CG2 4.31Å |
| 97 | V | 90.7 | Very high | 85.4 | Confident | 11 Ų | 11 | 53.1 Ų | 53.1 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 110.4 | -176.1 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | L93 N94 L105 Y106 F107 | L93-V97 CarbonylContact C-O 3.44Å; L93-V97 VanDerWaalsContact CA-O 3.26Å; L93-V97 WeakPolarHBondContact CA-O 3.3Å; L93-V97 WeakPolarHBondContact CB-O 3.33Å; N94-V97 PolarHBondContact N-O 3.04Å; N94-V97 CarbonylContact O-C 3.56Å; N94-V97 PolarHBondContact O-N 3.03Å; N94-V97 PolarHBondContact OD1-N 2.95Å; V97-L105 HydrophobicContact CG1-CD1 4.02Å; V97-L105 HydrophobicContact CG1-CD2 4.38Å; V97-L105 HydrophobicContact CG1-CG 4.16Å; V97-Y106 WeakPolarHBondContact CA-O 3.4Å; V97-F107 HydrophobicContact CB-CD1 4.47Å; V97-F107 HydrophobicContact CG1-CD1 4.15Å; V97-F107 HydrophobicContact CG1-CE1 3.86Å; V97-F107 HydrophobicContact CG1-CE2 4.37Å; V97-F107 HydrophobicContact CG1-CZ 3.97Å; V97-F107 HydrophobicContact CG2-CD1 3.63Å; V97-F107 HydrophobicContact CG2-CE1 3.8Å; V97-F107 HydrophobicContact CG2-CG 4.41Å |
| 98 | S | 89 | Confident | 85.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.8 | -168.7 | 49 | 0 | 0 | 0 | 0 | 111.8 | Y106 N204 K207 | S98-Y106 PolarHBondContact N-O 3.21Å; S98-Y106 WeakPolarHBondContact O-CA 3.33Å; S98-Y106 WeakPolarHBondContact O-CB 3.34Å; S98-Y106 PolarHBondContact O-N 3.07Å; S98-N204 VanDerWaalsContact CB-OD1 3.28Å; S98-N204 WeakPolarHBondContact CB-OD1 3.31Å; S98-K207 VanDerWaalsContact OG-CD 3.29Å; S98-K207 WeakPolarHBondContact OG-CD 3.32Å; S98-K207 PolarHBondContact OG-NZ 3.11Å |
| 99 | Q | 88.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 41.1 Ų | 41.1 | 18% | 0.178 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.6 | 177.4 | -167.4 | -178 | 4 | 0 | 0 | 110.8 | I81 L93 G103 D104 N204 | I81-Q99 PolarHBondContact O-NE2 2.84Å; L93-Q99 HydrophobicContact CD1-CB 3.91Å; L93-Q99 HydrophobicContact CD2-CB 4.48Å; Q99-G103 PolarHBondContact NE2-O 3.46Å; Q99-D104 CarbonylContact C-O 3.57Å; Q99-D104 WeakPolarHBondContact CA-O 3.49Å; Q99-N204 PolarHBondContact N-OD1 2.65Å; Q99-N204 PolarHBondContact O-ND2 2.89Å |
| 100 | A | 84.1 | Confident | 86.8 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 12% | 0.116 | 18% | 0.177 | C | C | . | . | trans | -85.5 | 160.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N102 G103 D104 E175 I177 | A100-N102 VanDerWaalsContact CB-OD1 3.24Å; A100-N102 WeakPolarHBondContact CB-OD1 3.24Å; A100-N102 PolarHBondContact O-N 3.01Å; A100-G103 WeakPolarHBondContact O-CA 3.46Å; A100-G103 PolarHBondContact O-N 3.27Å; A100-D104 HydrophobicContact CB-CB 4.36Å; A100-D104 PolarHBondContact N-O 3.17Å; A100-E175 VanDerWaalsContact CA-OE1 3.28Å; A100-E175 WeakPolarHBondContact CA-OE1 3.48Å; A100-E175 VanDerWaalsContact CB-OE1 3.29Å; A100-E175 WeakPolarHBondContact CB-OE1 3.47Å; A100-I177 HydrophobicContact CB-CD1 3.76Å | ||
| 101 | L | 82.6 | Confident | 87.1 | Confident | 67 Ų | 67 | 29.7 Ų | 29.7 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -26 | 176.2 | -69.2 | -177.6 | 0 | 0 | 0 | 112.7 | G103 E173 E175 T208 | L101-G103 PolarHBondContact O-N 3.42Å; L101-E173 HydrophobicContact CD1-CB 4.07Å; L101-E175 HydrophobicContact CD1-CB 3.78Å; L101-E175 HydrophobicContact CG-CB 4.11Å; L101-E175 PolarHBondContact N-OE1 3.4Å; L101-T208 HydrophobicContact CD2-CG2 4.01Å |
| 102 | N | 79.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -4.5 | 173.2 | 75.7 | -6.9 | 0 | 0 | 0 | 113.3 | A100 D104 S158 | A100-N102 VanDerWaalsContact CB-OD1 3.24Å; A100-N102 WeakPolarHBondContact CB-OD1 3.24Å; A100-N102 PolarHBondContact O-N 3.01Å; N102-D104 PolarHBondContact ND2-OD2 3.07Å; N102-D104 VanDerWaalsContact OD1-CB 3.28Å; N102-D104 WeakPolarHBondContact OD1-CB 3.37Å; N102-D104 PolarHBondContact OD1-N 2.83Å; N102-D104 PolarHBondContact OD1-OD2 3.13Å; N102-S158 PolarHBondContact ND2-O 2.67Å |
| 103 | G | 85.5 | Confident | 87.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 98 | -12.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | W83 Q99 A100 L101 | W83-G103 PolarHBondContact NE1-O 3.2Å; Q99-G103 PolarHBondContact NE2-O 3.46Å; A100-G103 WeakPolarHBondContact O-CA 3.46Å; A100-G103 PolarHBondContact O-N 3.27Å; L101-G103 PolarHBondContact O-N 3.42Å |
| 104 | D | 88.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 30.3 Ų | 30.3 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | trans | -67 | 149.4 | -174.6 | -62.7 | -17.9 | 0 | 0 | 0 | 112.3 | V67 L68 P69 C70 Q99 A100 N102 | V67-D104 HydrophobicContact CG1-CB 4.03Å; L68-D104 WeakPolarHBondContact O-CA 3.41Å; L68-D104 WeakPolarHBondContact O-CB 3.45Å; P69-D104 WeakPolarHBondContact CA-OD1 3.3Å; C70-D104 PolarHBondContact N-OD1 3.45Å; Q99-D104 CarbonylContact C-O 3.57Å; Q99-D104 WeakPolarHBondContact CA-O 3.49Å; A100-D104 HydrophobicContact CB-CB 4.36Å; A100-D104 PolarHBondContact N-O 3.17Å; N102-D104 PolarHBondContact ND2-OD2 3.07Å; N102-D104 VanDerWaalsContact OD1-CB 3.28Å; N102-D104 WeakPolarHBondContact OD1-CB 3.37Å; N102-D104 PolarHBondContact OD1-N 2.83Å; N102-D104 PolarHBondContact OD1-OD2 3.13Å | ||
| 105 | L | 90.8 | Very high | 87.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.5 | 176.4 | -167.5 | 65.4 | 0 | 0 | 0 | 110.5 | V67 L68 W83 L93 V97 F107 Y119 | V67-L105 CarbonylContact C-O 3.46Å; V67-L105 WeakPolarHBondContact CA-O 3.38Å; L68-L105 HydrophobicContact CB-CB 4.21Å; L68-L105 HydrophobicContact CD1-CD2 4.29Å; L68-L105 PolarHBondContact N-O 2.86Å; L68-L105 PolarHBondContact O-N 2.85Å; W83-L105 HydrophobicContact CD2-CB 4.02Å; W83-L105 HydrophobicContact CD2-CD2 4.29Å; W83-L105 HydrophobicContact CG-CB 4.31Å; W83-L105 HydrophobicContact CG-CD2 4.36Å; W83-L105 HydrophobicContact CZ2-CB 3.96Å; L93-L105 HydrophobicContact CD2-CD1 3.56Å; V97-L105 HydrophobicContact CG1-CD1 4.02Å; V97-L105 HydrophobicContact CG1-CD2 4.38Å; V97-L105 HydrophobicContact CG1-CG 4.16Å; L105-F107 HydrophobicContact CD2-CE2 3.89Å; L105-F107 HydrophobicContact CD2-CZ 3.96Å; L105-F107 HydrophobicContact CG-CE2 3.9Å; L105-F107 HydrophobicContact CG-CZ 4.36Å; L105-Y119 HydrophobicContact CD2-CD1 3.82Å; L105-Y119 HydrophobicContact CD2-CE1 3.98Å |
| 106 | Y | 88.9 | Confident | 88.1 | Confident | 16 Ų | 16 | 29.4 Ų | 29.4 | 6% | 0.063 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 130.7 | -172.4 | -165.7 | -75.6 | 0 | 0 | 0 | 112.2 | V67 V97 S98 I177 | V67-Y106 HydrophobicContact CB-CD2 4.43Å; V67-Y106 HydrophobicContact CG1-CD2 4.25Å; V67-Y106 HydrophobicContact CG2-CD2 3.5Å; V67-Y106 VanDerWaalsContact CG2-CD2 3.5Å; V67-Y106 HydrophobicContact CG2-CE2 3.59Å; V67-Y106 HydrophobicContact CG2-CG 4.38Å; V97-Y106 WeakPolarHBondContact CA-O 3.4Å; S98-Y106 PolarHBondContact N-O 3.21Å; S98-Y106 WeakPolarHBondContact O-CA 3.33Å; S98-Y106 WeakPolarHBondContact O-CB 3.34Å; S98-Y106 PolarHBondContact O-N 3.07Å; Y106-I177 HydrophobicContact CD1-CG2 3.31Å; Y106-I177 HydrophobicContact CD2-CG2 3.72Å; Y106-I177 HydrophobicContact CE1-CG2 3.53Å; Y106-I177 HydrophobicContact CE2-CG2 3.92Å; Y106-I177 HydrophobicContact CG-CG2 3.43Å; Y106-I177 VanDerWaalsContact CG-CG2 3.43Å |
| 107 | F | 91.4 | Very high | 88 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 109.2 | 176.9 | -61.7 | -110.2 | 0 | 0 | 0 | 108.7 | S65 L66 L68 R96 V97 L105 N109 V110 D114 Y119 | S65-F107 VanDerWaalsContact CA-O 3.23Å; S65-F107 WeakPolarHBondContact CA-O 3.37Å; S65-F107 VanDerWaalsContact CB-O 3.23Å; S65-F107 WeakPolarHBondContact CB-O 3.4Å; L66-F107 HydrophobicContact CB-CB 4.09Å; L66-F107 HydrophobicContact CB-CD2 4.19Å; L66-F107 HydrophobicContact CB-CG 4.33Å; L66-F107 HydrophobicContact CD2-CD2 4.33Å; L66-F107 HydrophobicContact CG-CD2 4.27Å; L66-F107 PolarHBondContact N-O 2.89Å; L66-F107 VanDerWaalsContact N-O 3.1Å; L66-F107 PolarHBondContact O-N 2.85Å; L68-F107 HydrophobicContact CD1-CE2 3.93Å; L68-F107 HydrophobicContact CD1-CZ 4.4Å; L68-F107 HydrophobicContact CG-CE2 3.99Å; R96-F107 WeakPolarHBondContact O-CA 3.34Å; V97-F107 HydrophobicContact CB-CD1 4.47Å; V97-F107 HydrophobicContact CG1-CD1 4.15Å; V97-F107 HydrophobicContact CG1-CE1 3.86Å; V97-F107 HydrophobicContact CG1-CE2 4.37Å; V97-F107 HydrophobicContact CG1-CZ 3.97Å; V97-F107 HydrophobicContact CG2-CD1 3.63Å; V97-F107 HydrophobicContact CG2-CE1 3.8Å; V97-F107 HydrophobicContact CG2-CG 4.41Å; L105-F107 HydrophobicContact CD2-CE2 3.89Å; L105-F107 HydrophobicContact CD2-CZ 3.96Å; L105-F107 HydrophobicContact CG-CE2 3.9Å; L105-F107 HydrophobicContact CG-CZ 4.36Å; F107-N109 PolarHBondContact O-N 2.67Å; F107-V110 HydrophobicContact CB-CG2 3.8Å; F107-V110 HydrophobicContact CD1-CG2 4.31Å; F107-V110 HydrophobicContact CG-CG2 4.18Å; F107-D114 HydrophobicContact CE1-CB 4.16Å; F107-Y119 AromaticContact CZ-CE1 3.75Å; F107-Y119 HydrophobicContact CZ-CE1 3.75Å; F107-Y119 AromaticContact CZ-CZ 3.75Å |
| 108 | S | 88.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -60.8 | -27.7 | 177.8 | -65.7 | 0 | 0 | 0 | 0 | 112.9 | R96 A178 G180 K207 | R96-S108 PolarHBondContact O-N 2.65Å; S108-A178 WeakPolarHBondContact CB-O 3.19Å; S108-A178 PolarHBondContact OG-O 3.3Å; S108-G180 PolarHBondContact O-N 3.26Å; S108-G180 VanDerWaalsContact O-N 3.09Å; S108-K207 PolarHBondContact OG-NZ 2.89Å |
| 109 | N | 87.7 | Confident | 87.9 | Confident | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -157.3 | 150 | 163.4 | 50.3 | 83.2 | 0 | 0 | 0 | 108.4 | G63 V64 R96 F107 G180 L181 T183 | G63-N109 WeakPolarHBondContact O-CB 3.34Å; V64-N109 CarbonylContact O-C 3.58Å; V64-N109 WeakPolarHBondContact O-CA 3.35Å; R96-N109 WeakPolarHBondContact CD-O 3.49Å; R96-N109 WeakPolarHBondContact CD-OD1 3.14Å; R96-N109 VanDerWaalsContact CG-O 3.3Å; R96-N109 WeakPolarHBondContact CG-O 3.18Å; R96-N109 PolarHBondContact NH1-O 3.27Å; F107-N109 PolarHBondContact O-N 2.67Å; N109-G180 PolarHBondContact ND2-O 3.39Å; N109-L181 HydrophobicContact CB-CD1 4.07Å; N109-T183 PolarHBondContact ND2-OG1 2.97Å |
| 110 | V | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -101.9 | 137.4 | -179 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | V60 G63 V64 L66 F107 D114 V141 | V60-V110 HydrophobicContact CG1-CB 4.38Å; V60-V110 HydrophobicContact CG1-CG1 3.82Å; V60-V110 HydrophobicContact CG1-CG2 4.37Å; V60-V110 HydrophobicContact CG2-CG2 4.42Å; G63-V110 PolarHBondContact N-O 2.73Å; V64-V110 WeakPolarHBondContact O-CB 3.39Å; V64-V110 WeakPolarHBondContact O-CG2 3.22Å; V64-V110 PolarHBondContact O-N 2.8Å; L66-V110 HydrophobicContact CB-CG2 3.46Å; L66-V110 VanDerWaalsContact CB-CG2 3.46Å; L66-V110 HydrophobicContact CD2-CG2 4.09Å; L66-V110 HydrophobicContact CG-CG2 4.44Å; F107-V110 HydrophobicContact CB-CG2 3.8Å; F107-V110 HydrophobicContact CD1-CG2 4.31Å; F107-V110 HydrophobicContact CG-CG2 4.18Å; V110-D114 WeakPolarHBondContact CA-OD2 3.4Å; V110-D114 HydrophobicContact CG1-CB 4Å; V110-D114 WeakPolarHBondContact CG1-OD2 3.46Å; V110-V141 HydrophobicContact CG1-CB 4.4Å; V110-V141 HydrophobicContact CG1-CG1 4.02Å; V110-V141 HydrophobicContact CG1-CG2 3.44Å; V110-V141 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 111 | L | 88.3 | Confident | 88.3 | Confident | 41 Ų | 41 | 30 Ų | 30 | 22% | 0.215 | 16% | 0.159 | C | C | . | . | trans | -119.2 | 156.6 | -179 | -54.8 | 179.3 | 0 | 0 | 0 | 110 | E113 D114 | L111-E113 HydrophobicContact CB-CG 4.32Å; L111-E113 VanDerWaalsContact CB-OE1 3.24Å; L111-E113 WeakPolarHBondContact CB-OE1 3.45Å; L111-E113 VanDerWaalsContact CB-OE2 3.29Å; L111-E113 WeakPolarHBondContact CB-OE2 3.46Å; L111-E113 WeakPolarHBondContact CD1-OE1 3.41Å; L111-E113 PolarHBondContact O-N 2.74Å; L111-E113 VanDerWaalsContact O-N 3.09Å; L111-D114 PolarHBondContact N-OD2 2.95Å; L111-D114 WeakPolarHBondContact O-CB 3.37Å; L111-D114 PolarHBondContact O-N 2.72Å | ||
| 112 | P | 86.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 27.2 Ų | 27.2 | 29% | 0.286 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -53 | -35 | -173.9 | -28.8 | 37.3 | 0 | 0 | 0 | 114.9 | K62 D114 T115 | K62-P112 HydrophobicContact CD-CG 3.87Å; K62-P112 HydrophobicContact CG-CG 4.44Å; P112-D114 PolarHBondContact O-N 2.85Å; P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.15Å; P112-T115 PolarHBondContact O-N 3.49Å; P112-T115 VanDerWaalsContact O-N 3.13Å; P112-T115 PolarHBondContact O-OG1 3.24Å |
| 113 | E | 87.7 | Confident | 89 | Confident | 132 Ų | 132 | 25.1 Ų | 25.1 | 62% | 0.617 | 13% | 0.133 | S | C | * | . | G | 310 helix | trans | -66.6 | -12.2 | 177.3 | 63.7 | -88.8 | -157.5 | 0 | 0 | 114.9 | L111 T115 | L111-E113 HydrophobicContact CB-CG 4.32Å; L111-E113 VanDerWaalsContact CB-OE1 3.24Å; L111-E113 WeakPolarHBondContact CB-OE1 3.45Å; L111-E113 VanDerWaalsContact CB-OE2 3.29Å; L111-E113 WeakPolarHBondContact CB-OE2 3.46Å; L111-E113 WeakPolarHBondContact CD1-OE1 3.41Å; L111-E113 PolarHBondContact O-N 2.74Å; L111-E113 VanDerWaalsContact O-N 3.09Å; E113-T115 PolarHBondContact O-N 2.94Å |
| 114 | D | 90.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -76.3 | 0.3 | 169.7 | -57.3 | -44.9 | 0 | 0 | 0 | 112.5 | R96 F107 V110 L111 P112 R116 Y119 V141 | R96-D114 IonicContact CZ-OD1 2.73Å; R96-D114 IonicContact CZ-OD2 3.64Å; R96-D114 IonicContact NH1-OD1 2.56Å; R96-D114 PolarHBondContact NH1-OD1 2.72Å; R96-D114 IonicContact NH1-OD2 3.78Å; R96-D114 PolarHBondContact NH1-OD2 3.07Å; R96-D114 IonicContact NH2-OD1 3.52Å; R96-D114 PolarHBondContact NH2-OD1 2.97Å; R96-D114 IonicContact NH2-OD2 2.75Å; R96-D114 PolarHBondContact NH2-OD2 3Å; F107-D114 HydrophobicContact CE1-CB 4.16Å; V110-D114 WeakPolarHBondContact CA-OD2 3.4Å; V110-D114 HydrophobicContact CG1-CB 4Å; V110-D114 WeakPolarHBondContact CG1-OD2 3.46Å; L111-D114 PolarHBondContact N-OD2 2.95Å; L111-D114 WeakPolarHBondContact O-CB 3.37Å; L111-D114 PolarHBondContact O-N 2.72Å; P112-D114 PolarHBondContact O-N 2.85Å; D114-R116 PolarHBondContact O-N 3.01Å; D114-R116 VanDerWaalsContact O-N 3.08Å; D114-Y119 PolarHBondContact O-OH 2.9Å; D114-V141 HydrophobicContact CB-CG2 4.32Å |
| 115 | T | 91.4 | Very high | 88.9 | Confident | 72 Ų | 72 | 29.3 Ų | 29.3 | 44% | 0.442 | 15% | 0.147 | S | C | . | . | trans | -72.6 | 97.1 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | P112 E113 V139 V141 | P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.15Å; P112-T115 PolarHBondContact O-N 3.49Å; P112-T115 VanDerWaalsContact O-N 3.13Å; P112-T115 PolarHBondContact O-OG1 3.24Å; E113-T115 PolarHBondContact O-N 2.94Å; T115-V139 WeakPolarHBondContact CA-O 3.44Å; T115-V141 WeakPolarHBondContact OG1-CB 3.37Å; T115-V141 WeakPolarHBondContact OG1-CG2 3.44Å; T115-V141 PolarHBondContact OG1-N 2.63Å | ||
| 116 | R | 90.3 | Very high | 88.1 | Confident | 74 Ų | 74 | 31.3 Ų | 31.3 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 159.9 | 174.9 | 65.9 | -176.1 | -58.8 | 165.6 | 7.2 | 112.3 | D85 D114 D118 Y119 V139 | D85-R116 IonicContact OD2-CZ 3.16Å; D85-R116 IonicContact OD2-NH1 3.04Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 2.96Å; D114-R116 PolarHBondContact O-N 3.01Å; D114-R116 VanDerWaalsContact O-N 3.08Å; R116-D118 WeakPolarHBondContact CB-OD1 3.06Å; R116-D118 IonicContact CZ-OD1 2.76Å; R116-D118 IonicContact CZ-OD2 3.56Å; R116-D118 IonicContact NE-OD1 3.45Å; R116-D118 PolarHBondContact NE-OD1 2.89Å; R116-D118 IonicContact NE-OD2 3.49Å; R116-D118 VanDerWaalsContact NH2-CG 3.34Å; R116-D118 IonicContact NH2-OD1 3.3Å; R116-D118 PolarHBondContact NH2-OD1 2.78Å; R116-D118 IonicContact NH2-OD2 3.25Å; R116-D118 PolarHBondContact NH2-OD2 2.75Å; R116-Y119 HydrophobicContact CG-CD2 3.76Å; R116-Y119 HydrophobicContact CG-CE1 4.37Å; R116-Y119 HydrophobicContact CG-CE2 3.25Å; R116-V139 PolarHBondContact N-O 2.9Å; R116-V139 PolarHBondContact O-N 3.17Å |
| 117 | S | 87.3 | Confident | 87.5 | Confident | 73 Ų | 73 | 39 Ų | 39 | 51% | 0.51 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -3.4 | -170.1 | 56.4 | 0 | 0 | 0 | 0 | 114.8 | I137 S138 | S117-I137 CarbonylContact C-O 3.59Å; S117-S138 VanDerWaalsContact CA-OG 3.3Å; S117-S138 WeakPolarHBondContact CA-OG 3.22Å; S117-S138 WeakPolarHBondContact CB-OG 3.4Å; S117-S138 PolarHBondContact O-OG 2.65Å |
| 118 | D | 87.9 | Confident | 86.8 | Confident | 14 Ų | 14 | 41.1 Ų | 41.1 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 37.9 | -154 | 62.5 | -32.4 | 0 | 0 | 0 | 113.9 | N86 R116 I120 | N86-D118 HydrophobicContact CB-CB 4.19Å; N86-D118 PolarHBondContact N-OD2 2.85Å; N86-D118 VanDerWaalsContact ND2-CB 3.28Å; N86-D118 WeakPolarHBondContact ND2-CB 3.18Å; R116-D118 WeakPolarHBondContact CB-OD1 3.06Å; R116-D118 IonicContact CZ-OD1 2.76Å; R116-D118 IonicContact CZ-OD2 3.56Å; R116-D118 IonicContact NE-OD1 3.45Å; R116-D118 PolarHBondContact NE-OD1 2.89Å; R116-D118 IonicContact NE-OD2 3.49Å; R116-D118 VanDerWaalsContact NH2-CG 3.34Å; R116-D118 IonicContact NH2-OD1 3.3Å; R116-D118 PolarHBondContact NH2-OD1 2.78Å; R116-D118 IonicContact NH2-OD2 3.25Å; R116-D118 PolarHBondContact NH2-OD2 2.75Å; D118-I120 PolarHBondContact O-N 2.75Å |
| 119 | Y | 90.1 | Very high | 86.3 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 105.5 | 166.4 | -71.1 | -79.8 | 0 | 0 | 0 | 109.6 | L68 L91 L105 F107 D114 R116 I137 V139 | L68-Y119 HydrophobicContact CD1-CD1 3.79Å; L68-Y119 HydrophobicContact CD1-CD2 3.79Å; L68-Y119 HydrophobicContact CD1-CE1 4.36Å; L68-Y119 HydrophobicContact CD1-CE2 4.33Å; L68-Y119 HydrophobicContact CD1-CG 3.48Å; L68-Y119 VanDerWaalsContact CD1-CG 3.48Å; L91-Y119 HydrophobicContact CD1-CD1 3.66Å; L91-Y119 HydrophobicContact CD1-CE1 4.24Å; L91-Y119 HydrophobicContact CD2-CD1 4.3Å; L91-Y119 HydrophobicContact CD2-CE1 4.1Å; L105-Y119 HydrophobicContact CD2-CD1 3.82Å; L105-Y119 HydrophobicContact CD2-CE1 3.98Å; F107-Y119 AromaticContact CZ-CE1 3.75Å; F107-Y119 HydrophobicContact CZ-CE1 3.75Å; F107-Y119 AromaticContact CZ-CZ 3.75Å; D114-Y119 PolarHBondContact O-OH 2.9Å; R116-Y119 HydrophobicContact CG-CD2 3.76Å; R116-Y119 HydrophobicContact CG-CE1 4.37Å; R116-Y119 HydrophobicContact CG-CE2 3.25Å; Y119-I137 WeakPolarHBondContact CB-O 3.4Å; Y119-I137 PolarHBondContact N-O 2.86Å; Y119-I137 VanDerWaalsContact N-O 3.08Å; Y119-I137 PolarHBondContact O-N 2.91Å; Y119-V139 HydrophobicContact CD2-CB 4.33Å; Y119-V139 HydrophobicContact CD2-CG2 3.7Å; Y119-V139 HydrophobicContact CE2-CB 3.92Å; Y119-V139 HydrophobicContact CE2-CG2 3.64Å |
| 120 | I | 89.4 | Confident | 85.9 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.3 | -178.6 | -53.6 | 171 | 0 | 0 | 0 | 110.2 | W83 M84 D118 Y122 Q133 P136 | W83-I120 WeakPolarHBondContact CA-O 3.46Å; W83-I120 VanDerWaalsContact CE3-C 3.43Å; M84-I120 PolarHBondContact N-O 3.39Å; M84-I120 WeakPolarHBondContact O-CB 3.38Å; M84-I120 PolarHBondContact O-N 2.98Å; M84-I120 VanDerWaalsContact O-N 3.08Å; M84-I120 VanDerWaalsContact O-O 3.13Å; D118-I120 PolarHBondContact O-N 2.75Å; I120-Y122 HydrophobicContact CB-CD2 4.39Å; I120-Y122 HydrophobicContact CB-CE2 3.69Å; I120-Y122 HydrophobicContact CG2-CD2 3.9Å; I120-Y122 HydrophobicContact CG2-CE2 3.32Å; I120-Q133 HydrophobicContact CG2-CB 4.29Å; I120-P136 HydrophobicContact CD1-CB 4.44Å; I120-P136 HydrophobicContact CD1-CG 4.08Å; I120-P136 HydrophobicContact CG1-CB 3.86Å; I120-P136 HydrophobicContact CG1-CG 3.94Å |
| 121 | C | 90.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 136.8 | 170 | -161.4 | 0 | 0 | 0 | 0 | 111 | C70 I81 W83 K134 | C70-C121 HydrophobicContact CB-CB 3.83Å; C70-C121 WeakPolarHBondContact CB-SG 3.26Å; C70-C121 WeakPolarHBondContact SG-CB 3.21Å; C70-C121 CovalentContact SG-SG 2.04Å; C70-C121 PolarHBondContact SG-SG 2.95Å; I81-C121 WeakPolarHBondContact CG2-SG 3.28Å; W83-C121 HydrophobicContact CD2-CB 3.89Å; W83-C121 HydrophobicContact CE3-CB 3.98Å; W83-C121 HydrophobicContact CH2-CB 3.83Å; W83-C121 HydrophobicContact CZ2-CB 3.73Å; W83-C121 HydrophobicContact CZ3-CB 3.94Å; C121-K134 HydrophobicContact CB-CB 4.28Å; C121-K134 PolarHBondContact O-N 2.88Å |
| 122 | Y | 89.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 56 Ų | 56 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 145.2 | 177.4 | -68.2 | -100.1 | 0 | 0 | 0 | 110.7 | I81 F82 M84 I120 I131 Q132 Q133 | I81-Y122 WeakPolarHBondContact CA-O 3.2Å; F82-Y122 HydrophobicContact CE2-CD2 4.5Å; F82-Y122 HydrophobicContact CE2-CG 4.05Å; F82-Y122 HydrophobicContact CZ-CG 4.46Å; F82-Y122 PolarHBondContact N-O 2.83Å; F82-Y122 PolarHBondContact O-N 3.29Å; M84-Y122 HydrophobicContact CB-CD2 4.09Å; M84-Y122 HydrophobicContact CB-CE2 3.71Å; M84-Y122 HydrophobicContact CE-CD1 3.99Å; M84-Y122 HydrophobicContact CE-CD2 3.69Å; M84-Y122 HydrophobicContact CE-CE1 3.75Å; M84-Y122 HydrophobicContact CE-CE2 3.45Å; M84-Y122 VanDerWaalsContact CE-CE2 3.45Å; M84-Y122 HydrophobicContact CE-CG 3.95Å; M84-Y122 VanDerWaalsContact CE-CZ 3.48Å; M84-Y122 HydrophobicContact CG-CD2 4Å; M84-Y122 HydrophobicContact CG-CE2 4.07Å; I120-Y122 HydrophobicContact CB-CD2 4.39Å; I120-Y122 HydrophobicContact CB-CE2 3.69Å; I120-Y122 HydrophobicContact CG2-CD2 3.9Å; I120-Y122 HydrophobicContact CG2-CE2 3.32Å; Y122-I131 HydrophobicContact CD1-CG2 3.96Å; Y122-Q132 WeakPolarHBondContact CA-O 3.17Å; Y122-Q133 HydrophobicContact CD1-CB 3.61Å; Y122-Q133 HydrophobicContact CE1-CB 3.54Å; Y122-Q133 VanDerWaalsContact CE1-OE1 3.3Å; Y122-Q133 HydrophobicContact CG-CB 4.32Å |
| 123 | A | 89.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | W50 P72 P79 F125 Q132 | W50-A123 HydrophobicContact CH2-CB 3.6Å; W50-A123 HydrophobicContact CZ3-CB 3.66Å; P72-A123 HydrophobicContact CB-CB 4.06Å; P79-A123 HydrophobicContact CB-CB 3.96Å; P79-A123 HydrophobicContact CG-CB 4.19Å; A123-F125 HydrophobicContact CB-CE2 4.13Å; A123-F125 HydrophobicContact CB-CZ 4.47Å; A123-Q132 PolarHBondContact N-O 3.22Å; A123-Q132 PolarHBondContact O-N 2.85Å |
| 124 | R | 88.1 | Confident | 85.4 | Confident | 102 Ų | 102 | 53.6 Ų | 53.6 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.7 | 174.9 | -177.9 | 179.8 | 76.5 | 94 | -1.7 | 110.1 | P79 V80 F82 P126 I131 | P79-R124 CarbonylContact C-O 3.57Å; P79-R124 WeakPolarHBondContact CA-O 3.14Å; V80-R124 PolarHBondContact N-O 2.91Å; V80-R124 PolarHBondContact O-N 3.19Å; F82-R124 HydrophobicContact CE1-CB 3.9Å; R124-P126 WeakPolarHBondContact O-CD 2.88Å; R124-I131 HydrophobicContact CB-CG1 4.07Å; R124-I131 HydrophobicContact CG-CG1 3.91Å |
| 125 | F | 83.7 | Confident | 85.2 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | trans | -90.1 | 112.7 | 175.3 | -61.4 | -95.4 | 0 | 0 | 0 | 108.4 | S47 P73 P79 A123 Y127 T128 Q129 T130 Q132 | S47-F125 VanDerWaalsContact CB-CG 3.44Å; P73-F125 HydrophobicContact CB-CZ 4.24Å; P73-F125 HydrophobicContact CG-CZ 4.46Å; P79-F125 HydrophobicContact CB-CD1 3.84Å; P79-F125 HydrophobicContact CB-CD2 4.34Å; P79-F125 HydrophobicContact CB-CE1 3.78Å; P79-F125 HydrophobicContact CB-CE2 4.28Å; P79-F125 HydrophobicContact CB-CG 4.12Å; P79-F125 HydrophobicContact CB-CZ 4Å; P79-F125 HydrophobicContact CG-CD1 4.35Å; P79-F125 HydrophobicContact CG-CE1 3.83Å; P79-F125 HydrophobicContact CG-CZ 4.05Å; A123-F125 HydrophobicContact CB-CE2 4.13Å; A123-F125 HydrophobicContact CB-CZ 4.47Å; F125-Y127 PolarHBondContact O-N 2.78Å; F125-T128 VanDerWaalsContact CB-OG1 3.3Å; F125-T128 WeakPolarHBondContact CB-OG1 3.28Å; F125-Q129 WeakPolarHBondContact O-CA 3.21Å; F125-Q129 PolarHBondContact O-N 2.6Å; F125-Q129 VanDerWaalsContact O-N 3.07Å; F125-T130 PolarHBondContact N-O 2.82Å; F125-Q132 HydrophobicContact CD2-CG 4.35Å; F125-Q132 HydrophobicContact CE2-CB 4.19Å; F125-Q132 HydrophobicContact CE2-CG 3.78Å | ||
| 126 | P | 73.3 | Confident | 85.1 | Confident | 42 Ų | 42 | 55 Ų | 55 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -34.4 | -164.5 | 22.1 | -30 | 0 | 0 | 0 | 114.3 | P77 R124 | P77-P126 HydrophobicContact CG-CG 3.98Å; R124-P126 WeakPolarHBondContact O-CD 2.88Å |
| 127 | Y | 76.1 | Confident | 85.1 | Confident | 178 Ų | 178 | 51.6 Ų | 51.6 | 70% | 0.698 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -32 | -176.6 | -76.8 | -99.7 | 0 | 0 | 0 | 113.9 | P77 F125 Q129 | P77-Y127 VanDerWaalsContact CD-CD2 3.41Å; P77-Y127 HydrophobicContact CG-CD2 3.48Å; P77-Y127 VanDerWaalsContact CG-CD2 3.48Å; P77-Y127 HydrophobicContact CG-CE2 3.67Å; F125-Y127 PolarHBondContact O-N 2.78Å; Y127-Q129 VanDerWaalsContact C-N 3.34Å |
| 128 | T | 76.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 49.5 Ų | 49.5 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -7.3 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | S47 F125 T130 | S47-T128 WeakPolarHBondContact CB-OG1 3.46Å; S47-T128 PolarHBondContact OG-OG1 2.62Å; F125-T128 VanDerWaalsContact CB-OG1 3.3Å; F125-T128 WeakPolarHBondContact CB-OG1 3.28Å; T128-T130 PolarHBondContact O-N 2.74Å; T128-T130 PolarHBondContact OG1-OG1 3.01Å |
| 129 | Q | 78.1 | Confident | 85.4 | Confident | 168 Ų | 168 | 48.9 Ų | 48.9 | 79% | 0.785 | 24% | 0.236 | S | C | * | . | trans | 56.2 | 4.5 | -172.8 | -55.3 | -172 | 3.5 | 0 | 0 | 115.6 | F125 Y127 | F125-Q129 WeakPolarHBondContact O-CA 3.21Å; F125-Q129 PolarHBondContact O-N 2.6Å; F125-Q129 VanDerWaalsContact O-N 3.07Å; Y127-Q129 VanDerWaalsContact C-N 3.34Å | ||
| 130 | T | 80.7 | Confident | 85.5 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | trans | -72.4 | 135.8 | 179.3 | 58.6 | 0 | 0 | 0 | 0 | 111.6 | S47 F125 T128 | S47-T130 VanDerWaalsContact CB-OG1 3.28Å; S47-T130 WeakPolarHBondContact CB-OG1 3.26Å; S47-T130 PolarHBondContact OG-OG1 3.28Å; F125-T130 PolarHBondContact N-O 2.82Å; T128-T130 PolarHBondContact O-N 2.74Å; T128-T130 PolarHBondContact OG1-OG1 3.01Å | ||
| 131 | I | 82.6 | Confident | 85.6 | Confident | 97 Ų | 97 | 51.4 Ų | 51.4 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.8 | 163.9 | -60.3 | 174.6 | 0 | 0 | 0 | 108 | Y122 R124 | Y122-I131 HydrophobicContact CD1-CG2 3.96Å; R124-I131 HydrophobicContact CB-CG1 4.07Å; R124-I131 HydrophobicContact CG-CG1 3.91Å |
| 132 | Q | 84.4 | Confident | 85.5 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 154.8 | 170.5 | -64 | -64.1 | -32.4 | 0 | 0 | 109.2 | W50 Y122 A123 F125 | W50-Q132 HydrophobicContact CE3-CB 3.81Å; W50-Q132 HydrophobicContact CZ3-CB 3.83Å; Y122-Q132 WeakPolarHBondContact CA-O 3.17Å; A123-Q132 PolarHBondContact N-O 3.22Å; A123-Q132 PolarHBondContact O-N 2.85Å; F125-Q132 HydrophobicContact CD2-CG 4.35Å; F125-Q132 HydrophobicContact CE2-CB 4.19Å; F125-Q132 HydrophobicContact CE2-CG 3.78Å |
| 133 | Q | 86.8 | Confident | 84.6 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 52% | 0.519 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.3 | 177.4 | 73.6 | -173.8 | 12.4 | 0 | 0 | 111.5 | I120 Y122 | I120-Q133 HydrophobicContact CG2-CB 4.29Å; Y122-Q133 HydrophobicContact CD1-CB 3.61Å; Y122-Q133 HydrophobicContact CE1-CB 3.54Å; Y122-Q133 VanDerWaalsContact CE1-OE1 3.3Å; Y122-Q133 HydrophobicContact CG-CB 4.32Å |
| 134 | K | 87 | Confident | 83.5 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 6% | 0.057 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 163.4 | 169.2 | -168.8 | 171.4 | 174.9 | 150.5 | 0 | 110.5 | W50 E53 P69 C70 C121 | W50-K134 HydrophobicContact CD2-CB 4.37Å; W50-K134 HydrophobicContact CH2-CB 4.47Å; W50-K134 HydrophobicContact CZ2-CB 4.1Å; E53-K134 WeakPolarHBondContact OE2-CE 3.48Å; E53-K134 IonicContact OE2-NZ 3.45Å; E53-K134 PolarHBondContact OE2-NZ 3.38Å; P69-K134 PolarHBondContact O-NZ 2.89Å; C70-K134 WeakPolarHBondContact O-CD 3.23Å; C121-K134 HydrophobicContact CB-CB 4.28Å; C121-K134 PolarHBondContact O-N 2.88Å |
| 135 | Q | 86.6 | Confident | 82.1 | Confident | 72 Ų | 72 | 65.6 Ų | 65.6 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.8 | 162.5 | -73.1 | 173.1 | 14.1 | 0 | 0 | 110.6 | E53 N55 | E53-Q135 PolarHBondContact O-NE2 3.28Å; E53-Q135 PolarHBondContact O-OE1 2.95Å; E53-Q135 VanDerWaalsContact O-OE1 3.1Å; N55-Q135 PolarHBondContact OD1-OE1 3.48Å |
| 136 | P | 88.2 | Confident | 80.8 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 136.2 | 177.2 | -16.1 | 28.6 | 0 | 0 | 0 | 112.1 | I120 | I120-P136 HydrophobicContact CD1-CB 4.44Å; I120-P136 HydrophobicContact CD1-CG 4.08Å; I120-P136 HydrophobicContact CG1-CB 3.86Å; I120-P136 HydrophobicContact CG1-CG 3.94Å |
| 137 | I | 90.4 | Very high | 80.2 | Confident | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 130.2 | 170.8 | -55.9 | 177.6 | 0 | 0 | 0 | 108.4 | E56 I58 L68 W83 S117 Y119 | E56-I137 HydrophobicContact CB-CG2 4.33Å; I58-I137 HydrophobicContact CD1-CG2 3.89Å; I58-I137 HydrophobicContact CG1-CG2 4.25Å; L68-I137 HydrophobicContact CB-CD1 4.3Å; L68-I137 HydrophobicContact CD2-CG2 4.11Å; W83-I137 HydrophobicContact CH2-CD1 4.05Å; W83-I137 HydrophobicContact CZ3-CD1 4.42Å; S117-I137 CarbonylContact C-O 3.59Å; Y119-I137 WeakPolarHBondContact CB-O 3.4Å; Y119-I137 PolarHBondContact N-O 2.86Å; Y119-I137 VanDerWaalsContact N-O 3.08Å; Y119-I137 PolarHBondContact O-N 2.91Å |
| 138 | S | 90.9 | Very high | 79.9 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133.6 | 176.4 | -66 | 0 | 0 | 0 | 0 | 110.9 | E56 V57 I58 S117 | E56-S138 PolarHBondContact O-N 2.85Å; V57-S138 CarbonylContact C-O 3.53Å; V57-S138 WeakPolarHBondContact CA-O 3.29Å; I58-S138 PolarHBondContact N-O 2.85Å; S117-S138 VanDerWaalsContact CA-OG 3.3Å; S117-S138 WeakPolarHBondContact CA-OG 3.22Å; S117-S138 WeakPolarHBondContact CB-OG 3.4Å; S117-S138 PolarHBondContact O-OG 2.65Å |
| 139 | V | 92.1 | Very high | 80.3 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.3 | 176.6 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | I58 V60 L66 L68 T115 R116 Y119 V141 | I58-V139 WeakPolarHBondContact O-CA 3.28Å; V60-V139 HydrophobicContact CG1-CG1 3.99Å; L66-V139 HydrophobicContact CD2-CG1 3.75Å; L66-V139 HydrophobicContact CD2-CG2 3.95Å; L68-V139 HydrophobicContact CD1-CG2 4.23Å; L68-V139 HydrophobicContact CD2-CG2 3.86Å; T115-V139 WeakPolarHBondContact CA-O 3.44Å; R116-V139 PolarHBondContact N-O 2.9Å; R116-V139 PolarHBondContact O-N 3.17Å; Y119-V139 HydrophobicContact CD2-CB 4.33Å; Y119-V139 HydrophobicContact CD2-CG2 3.7Å; Y119-V139 HydrophobicContact CE2-CB 3.92Å; Y119-V139 HydrophobicContact CE2-CG2 3.64Å; V139-V141 HydrophobicContact CG1-CG2 4.34Å |
| 140 | V | 92.1 | Very high | 80.8 | Confident | 58 Ų | 58 | 65.1 Ų | 65.1 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 116.4 | 178.1 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | V57 I58 S59 V60 L142 | V57-V140 HydrophobicContact CG1-CG2 4.22Å; I58-V140 PolarHBondContact O-N 2.66Å; S59-V140 WeakPolarHBondContact CA-O 3.49Å; V60-V140 PolarHBondContact N-O 2.88Å; V140-L142 HydrophobicContact CG1-CD2 4.47Å |
| 141 | V | 90.5 | Very high | 81.2 | Confident | 14 Ų | 14 | 71.2 Ų | 71.2 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.6 | -176.5 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | V60 K62 V110 D114 T115 V139 | V60-V141 HydrophobicContact CG1-CG2 4.25Å; V60-V141 CarbonylContact O-C 3.53Å; V60-V141 WeakPolarHBondContact O-CA 3.37Å; K62-V141 HydrophobicContact CB-CG1 4.15Å; V110-V141 HydrophobicContact CG1-CB 4.4Å; V110-V141 HydrophobicContact CG1-CG1 4.02Å; V110-V141 HydrophobicContact CG1-CG2 3.44Å; V110-V141 VanDerWaalsContact CG1-CG2 3.44Å; D114-V141 HydrophobicContact CB-CG2 4.32Å; T115-V141 WeakPolarHBondContact OG1-CB 3.37Å; T115-V141 WeakPolarHBondContact OG1-CG2 3.44Å; T115-V141 PolarHBondContact OG1-N 2.63Å; V139-V141 HydrophobicContact CG1-CG2 4.34Å |
| 142 | L | 88.4 | Confident | 81.5 | Confident | 80 Ų | 80 | 67.1 Ų | 67.1 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 119.4 | -176.9 | -58.5 | -178.9 | 0 | 0 | 0 | 110.9 | V60 Q61 K62 V140 S144 | V60-L142 PolarHBondContact O-N 2.92Å; Q61-L142 HydrophobicContact CG-CB 4.42Å; K62-L142 PolarHBondContact N-O 2.88Å; V140-L142 HydrophobicContact CG1-CD2 4.47Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.86Å |
| 143 | N | 70.4 | Confident | 81.6 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 68% | 0.684 | 36% | 0.355 | S | S | * | . | trans | -80 | 70.6 | 171.2 | -74.2 | -35.7 | 0 | 0 | 0 | 111.1 | ||||
| 144 | S | 65.4 | Low | 81.3 | Confident | 52 Ų | 52 | 63 Ų | 63 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -84 | 177.1 | 160 | 58.2 | 0 | 0 | 0 | 0 | 110.9 | Q61 L142 | Q61-S144 PolarHBondContact NE2-OG 2.8Å; L142-S144 VanDerWaalsContact C-N 3.27Å; L142-S144 PolarHBondContact O-N 2.86Å |
| 145 | N | 60.4 | Low | 80.2 | Confident | 149 Ų | 149 | 66.4 Ų | 66.4 | 80% | 0.797 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -47.3 | 134.6 | 166.4 | -82.8 | -1 | 0 | 0 | 0 | 109.8 | E147 | N145-E147 PolarHBondContact O-N 3.38Š|
| 146 | P | 55.5 | Low | 78.5 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 132.5 | -177.7 | 26.4 | -33.7 | 0 | 0 | 0 | 110 | G148 | P146-G148 PolarHBondContact O-N 2.85Š|
| 147 | E | 60 | Low | 76.6 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 136.3 | 158.4 | -71.1 | -156.6 | 139.3 | 0 | 0 | 108.3 | N145 | N145-E147 PolarHBondContact O-N 3.38Š|
| 148 | G | 71.4 | Confident | 74.2 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 61% | 0.608 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -65 | 170.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P146 R150 | P146-G148 PolarHBondContact O-N 2.85Å; G148-R150 PolarHBondContact O-N 3.44Å |
| 149 | E | 85.1 | Confident | 72.1 | Confident | 103 Ų | 103 | 76.3 Ų | 76.3 | 48% | 0.481 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 136.4 | 174.7 | -59.9 | -174.6 | 164.2 | 0 | 0 | 111.1 | L181 K229 L230 | E149-L181 CarbonylContact C-O 3.08Å; E149-L181 VanDerWaalsContact CA-O 3.23Å; E149-L181 WeakPolarHBondContact CA-O 3.43Å; E149-L181 WeakPolarHBondContact CB-O 3.39Å; E149-K229 WeakPolarHBondContact OE1-CE 3.47Å; E149-K229 IonicContact OE1-NZ 2.71Å; E149-K229 PolarHBondContact OE1-NZ 2.85Å; E149-K229 WeakPolarHBondContact OE2-CE 3.24Å; E149-K229 IonicContact OE2-NZ 3.27Å; E149-K229 PolarHBondContact OE2-NZ 3.26Å; E149-L230 HydrophobicContact CB-CD1 3.57Å; E149-L230 HydrophobicContact CB-CG 4.32Å; E149-L230 VanDerWaalsContact O-CD1 3.26Å; E149-L230 WeakPolarHBondContact O-CD1 3.21Å |
| 150 | R | 87.7 | Confident | 70.2 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 25% | 0.253 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131.4 | -168.9 | -165.8 | 163.5 | 68.5 | 94.4 | -8.2 | 111.3 | G148 E179 L181 N228 | G148-R150 PolarHBondContact O-N 3.44Å; R150-E179 IonicContact CZ-OE1 3.13Å; R150-E179 IonicContact CZ-OE2 2.81Å; R150-E179 IonicContact NH1-OE1 2.82Å; R150-E179 PolarHBondContact NH1-OE1 2.78Å; R150-E179 IonicContact NH1-OE2 3.7Å; R150-E179 PolarHBondContact NH1-OE2 2.97Å; R150-E179 VanDerWaalsContact NH2-CD 3.28Å; R150-E179 IonicContact NH2-OE1 2.91Å; R150-E179 IonicContact NH2-OE2 2.68Å; R150-E179 PolarHBondContact NH2-OE2 3.25Å; R150-L181 HydrophobicContact CB-CB 4.49Å; R150-L181 PolarHBondContact N-O 3.46Å; R150-L181 PolarHBondContact O-N 3.45Å; R150-L181 VanDerWaalsContact O-N 3.11Å; R150-N228 PolarHBondContact O-ND2 3.16Å |
| 151 | R | 88.3 | Confident | 68.6 | Low | 173 Ų | 173 | 77.6 Ų | 77.6 | 65% | 0.653 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 156.1 | 175.5 | -76.1 | -177.5 | 167.3 | -157.4 | -9.2 | 111.7 | G153 L230 | R151-G153 PolarHBondContact O-N 3.03Å; R151-L230 HydrophobicContact CG-CB 3.61Å; R151-L230 HydrophobicContact CG-CD1 4.47Å; R151-L230 PolarHBondContact NE-O 2.85Å; R151-L230 PolarHBondContact NH2-O 2.7Å |
| 152 | P | 89.4 | Confident | 67.6 | Low | 12 Ų | 12 | 79.9 Ų | 79.9 | 8% | 0.078 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 136.4 | 176.9 | -22 | 35.5 | 0 | 0 | 0 | 111.3 | E179 P184 A226 N228 G231 A233 | P152-E179 CarbonylContact C-O 3.56Å; P152-E179 VanDerWaalsContact CA-O 3.31Å; P152-E179 WeakPolarHBondContact CA-O 3.41Å; P152-P184 HydrophobicContact CB-CB 3.99Å; P152-P184 HydrophobicContact CB-CG 3.79Å; P152-P184 HydrophobicContact CG-CB 4.03Å; P152-P184 HydrophobicContact CG-CG 4Å; P152-A226 HydrophobicContact CB-CB 3.95Å; P152-N228 WeakPolarHBondContact CD-OD1 3.33Å; P152-N228 HydrophobicContact CG-CB 4.21Å; P152-G231 VanDerWaalsContact CD-O 3.24Å; P152-G231 WeakPolarHBondContact CD-O 3.29Å; P152-G231 VanDerWaalsContact CG-O 3.29Å; P152-G231 WeakPolarHBondContact CG-O 3.44Å; P152-A233 HydrophobicContact CB-CB 4.32Å; P152-A233 WeakPolarHBondContact O-CB 3.02Å |
| 153 | G | 86 | Confident | 67.2 | Low | 16 Ų | 16 | 81 Ų | 81 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R151 A178 E179 | R151-G153 PolarHBondContact O-N 3.03Å; G153-A178 WeakPolarHBondContact O-CA 3.44Å; G153-E179 PolarHBondContact N-O 3.19Å; G153-E179 WeakPolarHBondContact O-CG 3.3Å; G153-E179 PolarHBondContact O-N 3Å |
| 154 | F | 81.5 | Confident | 68 | Low | 54 Ų | 54 | 77.1 Ų | 77.1 | 24% | 0.237 | 43% | 0.432 | C | S | . | . | trans | -105.4 | 113.8 | 168.3 | -57.5 | -71.9 | 0 | 0 | 0 | 108.3 | C176 A178 A226 A233 H234 H235 | F154-C176 WeakPolarHBondContact CE1-SG 3.24Å; F154-A178 HydrophobicContact CD1-CB 4.09Å; F154-A178 HydrophobicContact CE1-CB 3.84Å; F154-A226 HydrophobicContact CE1-CB 3.87Å; F154-A226 HydrophobicContact CZ-CB 3.65Å; F154-A233 HydrophobicContact CD2-CB 4.31Å; F154-A233 HydrophobicContact CE2-CB 3.74Å; F154-A233 HydrophobicContact CZ-CB 4.48Å; F154-H234 VanDerWaalsContact CE2-C 3.41Å; F154-H235 HydrophobicContact CD2-CB 4.19Å; F154-H235 HydrophobicContact CE2-CB 4.05Å; F154-H235 HydrophobicContact CG-CB 4.49Å; F154-H235 HydrophobicContact CZ-CB 4.22Å | ||
| 155 | K | 63.2 | Low | 69.1 | Low | 86 Ų | 86 | 79.6 Ų | 79.6 | 37% | 0.374 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 133.5 | 163.8 | -81.3 | 179.5 | 164.7 | 175.4 | 0 | 107.8 | S65 E179 | S65-K155 PolarHBondContact O-NZ 3.32Å; S65-K155 WeakPolarHBondContact OG-CE 3.19Å; S65-K155 PolarHBondContact OG-NZ 2.83Å; K155-E179 VanDerWaalsContact CE-OE2 3.24Å; K155-E179 WeakPolarHBondContact CE-OE2 3.43Å; K155-E179 HydrophobicContact CG-CG 4.31Å; K155-E179 IonicContact NZ-OE2 2.58Å |
| 156 | L | 52 | Low | 70.6 | Confident | 166 Ų | 166 | 72.9 Ų | 72.9 | 87% | 0.869 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 133.8 | -173.3 | -80.6 | 157.9 | 0 | 0 | 0 | 111.1 | ||
| 157 | P | 47.3 | Very low | 72.2 | Confident | 62 Ų | 62 | 69.8 Ų | 69.8 | 40% | 0.403 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -92.3 | 133.3 | -149.3 | -8 | 28.2 | 0 | 0 | 0 | 112.6 | G159 S160 | P157-G159 VanDerWaalsContact C-N 3.27Å; P157-G159 PolarHBondContact O-N 3.34Å; P157-S160 WeakPolarHBondContact CB-O 3.49Å; P157-S160 WeakPolarHBondContact CG-O 3.2Å |
| 158 | S | 40.2 | Very low | 73.5 | Confident | 101 Ų | 101 | 70.6 Ų | 70.6 | 71% | 0.706 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -90 | 21.9 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 113.3 | N102 | N102-S158 PolarHBondContact ND2-O 2.67Š|
| 159 | G | 47.4 | Very low | 74.2 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -161.5 | -44.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | P157 T161 K164 | P157-G159 VanDerWaalsContact C-N 3.27Å; P157-G159 PolarHBondContact O-N 3.34Å; G159-T161 PolarHBondContact O-N 2.95Å; G159-T161 VanDerWaalsContact O-N 3.15Å; G159-K164 PolarHBondContact O-NZ 3.13Å; G159-K164 VanDerWaalsContact O-NZ 3.13Å |
| 160 | S | 52.1 | Low | 74.3 | Confident | 8 Ų | 8 | 69.5 Ų | 69.5 | 6% | 0.056 | 37% | 0.37 | C | S | . | . | trans | -79.3 | 92.5 | 174.2 | -155.4 | 0 | 0 | 0 | 0 | 113 | P157 E175 I237 | P157-S160 WeakPolarHBondContact CB-O 3.49Å; P157-S160 WeakPolarHBondContact CG-O 3.2Å; S160-E175 VanDerWaalsContact CB-O 3.31Å; S160-E175 WeakPolarHBondContact CB-O 3.38Å; S160-E175 PolarHBondContact N-OE2 3.48Å; S160-E175 PolarHBondContact OG-O 2.97Å; S160-I237 WeakPolarHBondContact OG-CD1 3.44Å | ||
| 161 | T | 58.8 | Low | 74.4 | Confident | 78 Ų | 78 | 69.2 Ų | 69.2 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | trans | -71.9 | 131.9 | 167.1 | 50 | 0 | 0 | 0 | 0 | 110.2 | G159 N163 K164 | G159-T161 PolarHBondContact O-N 2.95Å; G159-T161 VanDerWaalsContact O-N 3.15Å; T161-N163 VanDerWaalsContact CB-O 3.26Å; T161-N163 WeakPolarHBondContact CB-O 3.34Å; T161-N163 CarbonylContact O-C 3.59Å; T161-N163 PolarHBondContact O-N 3Å; T161-N163 PolarHBondContact OG1-O 2.94Å; T161-K164 WeakPolarHBondContact OG1-CD 3.05Å; T161-K164 VanDerWaalsContact OG1-CE 3.24Å; T161-K164 WeakPolarHBondContact OG1-CE 3.36Å; T161-K164 PolarHBondContact OG1-NZ 2.94Å | ||
| 162 | S | 68.3 | Low | 74.5 | Confident | 63 Ų | 63 | 61.3 Ų | 61.3 | 44% | 0.441 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -65.4 | -8.5 | 178.9 | 57 | 0 | 0 | 0 | 0 | 114.4 | I237 K238 | S162-I237 CarbonylContact O-C 3.13Å; S162-I237 WeakPolarHBondContact O-CA 3.21Å; S162-K238 PolarHBondContact O-N 3.27Å |
| 163 | N | 81.2 | Confident | 74.5 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.1 | 163.5 | -58.8 | -35.9 | 0 | 0 | 0 | 108.5 | T161 K238 | T161-N163 VanDerWaalsContact CB-O 3.26Å; T161-N163 WeakPolarHBondContact CB-O 3.34Å; T161-N163 CarbonylContact O-C 3.59Å; T161-N163 PolarHBondContact O-N 3Å; T161-N163 PolarHBondContact OG1-O 2.94Å; N163-K238 CarbonylContact C-O 3.41Å; N163-K238 WeakPolarHBondContact CA-O 3.19Å |
| 164 | K | 86.4 | Confident | 74.7 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 141.7 | 170.9 | -69.3 | -74.7 | -178.6 | -176.2 | 0 | 109.3 | G159 T161 L172 L174 I237 K238 A240 | G159-K164 PolarHBondContact O-NZ 3.13Å; G159-K164 VanDerWaalsContact O-NZ 3.13Å; T161-K164 WeakPolarHBondContact OG1-CD 3.05Å; T161-K164 VanDerWaalsContact OG1-CE 3.24Å; T161-K164 WeakPolarHBondContact OG1-CE 3.36Å; T161-K164 PolarHBondContact OG1-NZ 2.94Å; K164-L172 HydrophobicContact CB-CD1 4.27Å; K164-L174 HydrophobicContact CB-CD2 4.39Å; K164-L174 HydrophobicContact CG-CD2 3.92Å; K164-I237 HydrophobicContact CG-CG2 3.89Å; K164-K238 PolarHBondContact N-O 2.91Å; K164-A240 PolarHBondContact O-N 3.01Å |
| 165 | M | 89.3 | Confident | 75 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 51% | 0.512 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.9 | 172.1 | -168.8 | -76.4 | -66.8 | 0 | 0 | 108 | L167 A240 K242 F322 | M165-L167 HydrophobicContact SD-CD2 4.27Å; M165-A240 WeakPolarHBondContact CA-O 3.19Å; M165-K242 HydrophobicContact CG-CB 4.47Å; M165-K242 HydrophobicContact CG-CG 3.88Å; M165-K242 HydrophobicContact SD-CB 3.79Å; M165-K242 HydrophobicContact SD-CG 3.8Å; M165-F322 HydrophobicContact CE-CE1 3.87Å; M165-F322 HydrophobicContact CE-CZ 4.35Å; M165-F322 HydrophobicContact SD-CE1 4.42Å; M165-F322 HydrophobicContact SD-CZ 4.48Å |
| 166 | V | 91.4 | Very high | 76.1 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 147.1 | -176.1 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | E170 L172 V214 V239 A240 V241 K242 | V166-E170 HydrophobicContact CG2-CB 3.84Å; V166-L172 HydrophobicContact CB-CD1 4.22Å; V166-L172 HydrophobicContact CG1-CB 4.36Å; V166-L172 HydrophobicContact CG1-CD1 4.01Å; V166-L172 HydrophobicContact CG2-CB 4.35Å; V166-V214 HydrophobicContact CG1-CG1 3.85Å; V166-V214 HydrophobicContact CG2-CB 4.5Å; V166-V214 HydrophobicContact CG2-CG2 4.25Å; V166-V239 HydrophobicContact CG1-CG1 4.42Å; V166-A240 PolarHBondContact N-O 3.49Å; V166-V241 HydrophobicContact CG1-CG2 4.04Å; V166-K242 PolarHBondContact O-N 2.81Å |
| 167 | L | 88.6 | Confident | 77.7 | Confident | 38 Ų | 38 | 50.5 Ų | 50.5 | 20% | 0.199 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 148.8 | 176.9 | -55.8 | 176.3 | 0 | 0 | 0 | 111.6 | M165 G169 E170 K242 F322 | M165-L167 HydrophobicContact SD-CD2 4.27Å; L167-G169 PolarHBondContact O-N 2.89Å; L167-E170 HydrophobicContact CB-CG 3.95Å; L167-E170 WeakPolarHBondContact CB-OE2 3.21Å; L167-E170 PolarHBondContact N-OE2 2.93Å; L167-E170 VanDerWaalsContact O-CB 3.3Å; L167-E170 WeakPolarHBondContact O-CB 3.49Å; L167-E170 PolarHBondContact O-N 2.93Å; L167-K242 CarbonylContact C-O 3.5Å; L167-K242 VanDerWaalsContact CA-O 3.29Å; L167-K242 WeakPolarHBondContact CA-O 3.38Å; L167-K242 HydrophobicContact CD2-CB 3.85Å; L167-F322 HydrophobicContact CD2-CB 4.03Å; L167-F322 HydrophobicContact CD2-CD1 3.78Å; L167-F322 HydrophobicContact CD2-CD2 4.32Å; L167-F322 HydrophobicContact CD2-CE1 4.36Å; L167-F322 HydrophobicContact CD2-CG 3.76Å |
| 168 | R | 88.3 | Confident | 79.6 | Confident | 112 Ų | 112 | 47.6 Ų | 47.6 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 130.4 | 172.1 | 179.6 | -177.6 | 174.6 | 126.1 | 3.1 | 110.4 | E170 V214 E216 K242 A243 F246 | R168-E170 VanDerWaalsContact C-N 3.32Å; R168-V214 CarbonylContact C-O 3.55Å; R168-V214 VanDerWaalsContact CA-O 3.31Å; R168-V214 WeakPolarHBondContact CA-O 3.16Å; R168-E216 WeakPolarHBondContact CD-OE1 3.45Å; R168-E216 IonicContact CZ-OE1 3.81Å; R168-E216 IonicContact CZ-OE2 2.7Å; R168-E216 IonicContact NH1-OE1 3.41Å; R168-E216 PolarHBondContact NH1-OE1 2.62Å; R168-E216 IonicContact NH1-OE2 2.69Å; R168-E216 PolarHBondContact NH1-OE2 2.91Å; R168-K242 PolarHBondContact N-O 3.05Å; R168-A243 HydrophobicContact CB-CB 3.91Å; R168-F246 VanDerWaalsContact NH1-CZ 3.28Å |
| 169 | G | 86.1 | Confident | 81.9 | Confident | 43 Ų | 43 | 43.9 Ų | 43.9 | 44% | 0.443 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -16.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L167 V214 | L167-G169 PolarHBondContact O-N 2.89Å; G169-V214 PolarHBondContact N-O 2.76Å |
| 170 | E | 87.3 | Confident | 83.8 | Confident | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -72.4 | -176.6 | 173.5 | -63.3 | -174.6 | 140.8 | 0 | 0 | 111.6 | V166 L167 R168 N213 V214 | V166-E170 HydrophobicContact CG2-CB 3.84Å; L167-E170 HydrophobicContact CB-CG 3.95Å; L167-E170 WeakPolarHBondContact CB-OE2 3.21Å; L167-E170 PolarHBondContact N-OE2 2.93Å; L167-E170 VanDerWaalsContact O-CB 3.3Å; L167-E170 WeakPolarHBondContact O-CB 3.49Å; L167-E170 PolarHBondContact O-N 2.93Å; R168-E170 VanDerWaalsContact C-N 3.32Å; E170-N213 PolarHBondContact O-N 2.92Å; E170-V214 WeakPolarHBondContact O-CG2 3.23Å; E170-V214 PolarHBondContact O-N 2.95Å |
| 171 | T | 89.6 | Confident | 85.5 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | trans | -108.6 | 124.6 | 172 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | E173 K210 I211 | T171-E173 HydrophobicContact CG2-CG 4.39Å; T171-K210 HydrophobicContact CG2-CD 4.22Å; T171-K210 HydrophobicContact CG2-CG 3.51Å; T171-I211 CarbonylContact C-O 3.57Å; T171-I211 WeakPolarHBondContact CA-O 3.36Å | ||
| 172 | L | 90.1 | Very high | 87 | Confident | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.5 | 172.7 | 175.4 | 67.6 | 0 | 0 | 0 | 109.9 | K164 V166 L174 K210 I211 V214 V239 | K164-L172 HydrophobicContact CB-CD1 4.27Å; V166-L172 HydrophobicContact CB-CD1 4.22Å; V166-L172 HydrophobicContact CG1-CB 4.36Å; V166-L172 HydrophobicContact CG1-CD1 4.01Å; V166-L172 HydrophobicContact CG2-CB 4.35Å; L172-L174 HydrophobicContact CD1-CD2 3.76Å; L172-L174 HydrophobicContact CD1-CG 4.44Å; L172-L174 HydrophobicContact CD2-CD1 4.31Å; L172-L174 HydrophobicContact CD2-CD2 4.16Å; L172-L174 HydrophobicContact CD2-CG 4.16Å; L172-L174 HydrophobicContact CG-CD2 3.94Å; L172-L174 HydrophobicContact CG-CG 4.07Å; L172-K210 CarbonylContact O-C 3.49Å; L172-K210 WeakPolarHBondContact O-CA 3.46Å; L172-I211 HydrophobicContact CB-CB 4.41Å; L172-I211 PolarHBondContact N-O 2.87Å; L172-I211 PolarHBondContact O-N 2.58Å; L172-V214 HydrophobicContact CB-CG2 3.61Å; L172-V239 HydrophobicContact CD1-CG1 4.37Å; L172-V239 HydrophobicContact CD2-CB 4.41Å; L172-V239 HydrophobicContact CD2-CG1 3.61Å; L172-V239 HydrophobicContact CD2-CG2 3.89Å |
| 173 | E | 89.9 | Confident | 88.1 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 34% | 0.341 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.5 | 171.4 | -68.2 | -173.8 | 172 | 0 | 0 | 110.8 | L101 T171 K210 | L101-E173 HydrophobicContact CD1-CB 4.07Å; T171-E173 HydrophobicContact CG2-CG 4.39Å; E173-K210 HydrophobicContact CG-CB 4.3Å; E173-K210 HydrophobicContact CG-CG 3.98Å; E173-K210 IonicContact OE1-NZ 3.4Å; E173-K210 PolarHBondContact OE1-NZ 2.84Å |
| 174 | L | 88.9 | Confident | 88.5 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.9 | 178.6 | -57.6 | -173.5 | 0 | 0 | 0 | 109.9 | K164 L172 W188 T208 L209 Y222 I237 V239 | K164-L174 HydrophobicContact CB-CD2 4.39Å; K164-L174 HydrophobicContact CG-CD2 3.92Å; L172-L174 HydrophobicContact CD1-CD2 3.76Å; L172-L174 HydrophobicContact CD1-CG 4.44Å; L172-L174 HydrophobicContact CD2-CD1 4.31Å; L172-L174 HydrophobicContact CD2-CD2 4.16Å; L172-L174 HydrophobicContact CD2-CG 4.16Å; L172-L174 HydrophobicContact CG-CD2 3.94Å; L172-L174 HydrophobicContact CG-CG 4.07Å; L174-W188 HydrophobicContact CB-CH2 3.62Å; L174-W188 HydrophobicContact CB-CZ2 4.4Å; L174-W188 HydrophobicContact CB-CZ3 3.87Å; L174-W188 HydrophobicContact CD1-CZ3 4.16Å; L174-T208 WeakPolarHBondContact O-CA 3.48Å; L174-L209 HydrophobicContact CB-CB 4.39Å; L174-L209 HydrophobicContact CD1-CD2 4.28Å; L174-L209 PolarHBondContact N-O 2.85Å; L174-L209 PolarHBondContact O-N 3.48Å; L174-Y222 HydrophobicContact CD1-CD1 3.65Å; L174-Y222 HydrophobicContact CD1-CD2 4.16Å; L174-Y222 HydrophobicContact CD1-CE1 4.28Å; L174-Y222 HydrophobicContact CD1-CG 3.58Å; L174-I237 HydrophobicContact CB-CD1 4.32Å; L174-I237 HydrophobicContact CD2-CG2 4.07Å; L174-V239 HydrophobicContact CD1-CG2 4.16Å; L174-V239 HydrophobicContact CD2-CG2 4.06Å |
| 175 | E | 87.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.047 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138 | -177.7 | 171.8 | -179.6 | -100.8 | 0 | 0 | 110.8 | A100 L101 S160 I177 | A100-E175 VanDerWaalsContact CA-OE1 3.28Å; A100-E175 WeakPolarHBondContact CA-OE1 3.48Å; A100-E175 VanDerWaalsContact CB-OE1 3.29Å; A100-E175 WeakPolarHBondContact CB-OE1 3.47Å; L101-E175 HydrophobicContact CD1-CB 3.78Å; L101-E175 HydrophobicContact CG-CB 4.11Å; L101-E175 PolarHBondContact N-OE1 3.4Å; S160-E175 VanDerWaalsContact CB-O 3.31Å; S160-E175 WeakPolarHBondContact CB-O 3.38Å; S160-E175 PolarHBondContact N-OE2 3.48Å; S160-E175 PolarHBondContact OG-O 2.97Å; E175-I177 HydrophobicContact CG-CD1 4.06Å; E175-I177 HydrophobicContact CG-CG1 4Å |
| 176 | C | 86.9 | Confident | 88.9 | Confident | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.027 | 18% | 0.184 | C | C | . | . | trans | -146.8 | 109.5 | 170.7 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | F154 W188 K207 C224 | F154-C176 WeakPolarHBondContact CE1-SG 3.24Å; C176-W188 HydrophobicContact CB-CH2 3.62Å; C176-W188 HydrophobicContact CB-CZ2 3.39Å; C176-K207 PolarHBondContact N-O 2.93Å; C176-K207 WeakPolarHBondContact O-CA 3.39Å; C176-K207 WeakPolarHBondContact O-CB 3.45Å; C176-C224 HydrophobicContact CB-CB 3.48Å; C176-C224 VanDerWaalsContact CB-CB 3.48Å; C176-C224 WeakPolarHBondContact CB-SG 3.31Å; C176-C224 WeakPolarHBondContact SG-CB 3.34Å; C176-C224 CovalentContact SG-SG 2.01Å; C176-C224 PolarHBondContact SG-SG 3.1Å | ||
| 177 | I | 85.9 | Confident | 88.8 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | trans | -121.6 | 123.1 | -178 | -58 | 176.3 | 0 | 0 | 0 | 108.9 | A100 Y106 E175 K207 | A100-I177 HydrophobicContact CB-CD1 3.76Å; Y106-I177 HydrophobicContact CD1-CG2 3.31Å; Y106-I177 HydrophobicContact CD2-CG2 3.72Å; Y106-I177 HydrophobicContact CE1-CG2 3.53Å; Y106-I177 HydrophobicContact CE2-CG2 3.92Å; Y106-I177 HydrophobicContact CG-CG2 3.43Å; Y106-I177 VanDerWaalsContact CG-CG2 3.43Å; E175-I177 HydrophobicContact CG-CD1 4.06Å; E175-I177 HydrophobicContact CG-CG1 4Å; I177-K207 HydrophobicContact CG1-CB 4.21Å; I177-K207 HydrophobicContact CG1-CD 4.41Å; I177-K207 HydrophobicContact CG2-CD 4.46Å | ||
| 178 | A | 87.4 | Confident | 89 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.008 | 20% | 0.197 | C | C | . | . | trans | -112.5 | 150.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S108 G153 F154 P184 I186 A226 | S108-A178 WeakPolarHBondContact CB-O 3.19Å; S108-A178 PolarHBondContact OG-O 3.3Å; G153-A178 WeakPolarHBondContact O-CA 3.44Å; F154-A178 HydrophobicContact CD1-CB 4.09Å; F154-A178 HydrophobicContact CE1-CB 3.84Å; A178-P184 HydrophobicContact CB-CB 4.29Å; A178-P184 HydrophobicContact CB-CG 4.2Å; A178-I186 HydrophobicContact CB-CD1 3.92Å; A178-A226 HydrophobicContact CB-CB 3.45Å; A178-A226 VanDerWaalsContact CB-CB 3.45Å | ||
| 179 | E | 88.4 | Confident | 89.1 | Confident | 22 Ų | 22 | 35.8 Ų | 35.8 | 10% | 0.103 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 155.9 | 165.4 | 48.5 | 159.1 | -153.4 | 0 | 0 | 111 | S65 R150 P152 G153 K155 P184 | S65-E179 WeakPolarHBondContact CB-OE2 3.49Å; S65-E179 PolarHBondContact OG-OE2 2.65Å; R150-E179 IonicContact CZ-OE1 3.13Å; R150-E179 IonicContact CZ-OE2 2.81Å; R150-E179 IonicContact NH1-OE1 2.82Å; R150-E179 PolarHBondContact NH1-OE1 2.78Å; R150-E179 IonicContact NH1-OE2 3.7Å; R150-E179 PolarHBondContact NH1-OE2 2.97Å; R150-E179 VanDerWaalsContact NH2-CD 3.28Å; R150-E179 IonicContact NH2-OE1 2.91Å; R150-E179 IonicContact NH2-OE2 2.68Å; R150-E179 PolarHBondContact NH2-OE2 3.25Å; P152-E179 CarbonylContact C-O 3.56Å; P152-E179 VanDerWaalsContact CA-O 3.31Å; P152-E179 WeakPolarHBondContact CA-O 3.41Å; G153-E179 PolarHBondContact N-O 3.19Å; G153-E179 WeakPolarHBondContact O-CG 3.3Å; G153-E179 PolarHBondContact O-N 3Å; K155-E179 VanDerWaalsContact CE-OE2 3.24Å; K155-E179 WeakPolarHBondContact CE-OE2 3.43Å; K155-E179 HydrophobicContact CG-CG 4.31Å; K155-E179 IonicContact NZ-OE2 2.58Å; E179-P184 WeakPolarHBondContact O-CG 3.4Å |
| 180 | G | 87.2 | Confident | 89.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 160.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S108 N109 P182 | S108-G180 PolarHBondContact O-N 3.26Å; S108-G180 VanDerWaalsContact O-N 3.09Å; N109-G180 PolarHBondContact ND2-O 3.39Å; G180-P182 CarbonylContact C-O 3.41Å; G180-P182 VanDerWaalsContact C-O 3.25Å; G180-P182 CarbonylContact O-C 3.54Å |
| 181 | L | 87.7 | Confident | 88.9 | Confident | 39 Ų | 39 | 33.4 Ų | 33.4 | 20% | 0.204 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 110.6 | 179.6 | -177.9 | 66.4 | 0 | 0 | 0 | 109.1 | N109 E149 R150 | N109-L181 HydrophobicContact CB-CD1 4.07Å; E149-L181 CarbonylContact C-O 3.08Å; E149-L181 VanDerWaalsContact CA-O 3.23Å; E149-L181 WeakPolarHBondContact CA-O 3.43Å; E149-L181 WeakPolarHBondContact CB-O 3.39Å; R150-L181 HydrophobicContact CB-CB 4.49Å; R150-L181 PolarHBondContact N-O 3.46Å; R150-L181 PolarHBondContact O-N 3.45Å; R150-L181 VanDerWaalsContact O-N 3.11Å |
| 182 | P | 90.6 | Very high | 88.1 | Confident | 51 Ų | 51 | 34.7 Ų | 34.7 | 33% | 0.331 | 20% | 0.198 | S | C | . | . | S | Bend | cis | -57.8 | 158 | -2 | -24.6 | 35.4 | 0 | 0 | 0 | 114.3 | G180 N228 K229 | G180-P182 CarbonylContact C-O 3.41Å; G180-P182 VanDerWaalsContact C-O 3.25Å; G180-P182 CarbonylContact O-C 3.54Å; P182-N228 PolarHBondContact O-ND2 2.91Å; P182-K229 HydrophobicContact CG-CD 4.19Å; P182-K229 HydrophobicContact CG-CG 4.26Å |
| 183 | T | 90.2 | Very high | 87.2 | Confident | 37 Ų | 37 | 36.7 Ų | 36.7 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -49.6 | 124.8 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | K95 R96 N109 | K95-T183 HydrophobicContact CB-CG2 4.22Å; K95-T183 WeakPolarHBondContact O-CG2 3.5Å; R96-T183 HydrophobicContact CB-CG2 4.31Å; N109-T183 PolarHBondContact ND2-OG1 2.97Å |
| 184 | P | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 139.7 | 178.3 | -17.6 | 31.3 | 0 | 0 | 0 | 112.9 | P152 A178 E179 A226 T227 | P152-P184 HydrophobicContact CB-CB 3.99Å; P152-P184 HydrophobicContact CB-CG 3.79Å; P152-P184 HydrophobicContact CG-CB 4.03Å; P152-P184 HydrophobicContact CG-CG 4Å; A178-P184 HydrophobicContact CB-CB 4.29Å; A178-P184 HydrophobicContact CB-CG 4.2Å; E179-P184 WeakPolarHBondContact O-CG 3.4Å; P184-A226 HydrophobicContact CB-CB 4.1Å; P184-T227 CarbonylContact C-O 3.57Å; P184-T227 VanDerWaalsContact CA-O 3.28Å; P184-T227 WeakPolarHBondContact CA-O 3.08Å |
| 185 | D | 91.7 | Very high | 86.7 | Confident | 77 Ų | 77 | 43.9 Ų | 43.9 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 144.4 | 165.1 | -88.7 | -49.5 | 0 | 0 | 0 | 110.8 | K95 A226 T227 | K95-D185 WeakPolarHBondContact CD-OD1 3.39Å; K95-D185 WeakPolarHBondContact CE-OD1 3.42Å; K95-D185 VanDerWaalsContact NZ-CG 3.25Å; K95-D185 IonicContact NZ-OD1 2.78Å; K95-D185 PolarHBondContact NZ-OD1 3.11Å; K95-D185 IonicContact NZ-OD2 2.82Å; K95-D185 PolarHBondContact NZ-OD2 2.97Å; D185-A226 CarbonylContact O-C 3.3Å; D185-A226 WeakPolarHBondContact O-CA 3.42Å; D185-T227 PolarHBondContact N-O 3.26Å; D185-T227 PolarHBondContact O-N 3Å |
| 186 | I | 91.4 | Very high | 86.5 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.046 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.6 | -176.3 | -55.3 | -57.3 | 0 | 0 | 0 | 111 | A178 N206 K207 T225 A226 | A178-I186 HydrophobicContact CB-CD1 3.92Å; I186-N206 HydrophobicContact CB-CB 4.23Å; I186-N206 WeakPolarHBondContact CG2-O 3.32Å; I186-N206 WeakPolarHBondContact O-CB 3.25Å; I186-N206 PolarHBondContact O-ND2 2.91Å; I186-K207 HydrophobicContact CG1-CG 3.86Å; I186-T225 WeakPolarHBondContact CA-O 3.2Å; I186-A226 HydrophobicContact CD1-CB 3.56Å |
| 187 | S | 91.1 | Very high | 86 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 44% | 0.441 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 154.2 | 168.1 | 64.3 | 0 | 0 | 0 | 0 | 111.6 | C224 T225 | S187-C224 WeakPolarHBondContact O-CA 3.3Å; S187-T225 PolarHBondContact N-O 3.05Å; S187-T225 PolarHBondContact O-N 3.4Å |
| 188 | W | 92.3 | Very high | 85.7 | Confident | 24 Ų | 24 | 52.9 Ų | 52.9 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143 | -179.5 | -69.6 | 89.2 | 0 | 0 | 0 | 111.4 | L174 C176 L195 F202 N206 L209 R223 C224 I237 | L174-W188 HydrophobicContact CB-CH2 3.62Å; L174-W188 HydrophobicContact CB-CZ2 4.4Å; L174-W188 HydrophobicContact CB-CZ3 3.87Å; L174-W188 HydrophobicContact CD1-CZ3 4.16Å; C176-W188 HydrophobicContact CB-CH2 3.62Å; C176-W188 HydrophobicContact CB-CZ2 3.39Å; W188-L195 HydrophobicContact CB-CD1 3.97Å; W188-F202 HydrophobicContact CB-CE1 4.03Å; W188-F202 AromaticContact CD1-CD1 3.97Å; W188-F202 AromaticContact CD1-CE1 3.69Å; W188-F202 HydrophobicContact CG-CE1 4.08Å; W188-N206 PolarHBondContact NE1-O 3.38Å; W188-L209 HydrophobicContact CB-CD2 4.09Å; W188-L209 HydrophobicContact CD2-CB 3.86Å; W188-L209 HydrophobicContact CD2-CD2 3.86Å; W188-L209 HydrophobicContact CE3-CB 4.36Å; W188-L209 HydrophobicContact CE3-CD2 3.85Å; W188-L209 HydrophobicContact CG-CB 4.15Å; W188-L209 HydrophobicContact CG-CD2 4Å; W188-L209 HydrophobicContact CZ2-CB 4.09Å; W188-R223 WeakPolarHBondContact CA-O 3.38Å; W188-C224 HydrophobicContact CD2-CB 4.31Å; W188-C224 HydrophobicContact CE3-CB 4.03Å; W188-C224 HydrophobicContact CH2-CB 4.2Å; W188-C224 HydrophobicContact CZ2-CB 4.46Å; W188-C224 HydrophobicContact CZ3-CB 3.97Å; W188-I237 HydrophobicContact CH2-CD1 3.95Å; W188-I237 HydrophobicContact CZ3-CD1 3.98Å |
| 189 | Q | 90.4 | Very high | 85.8 | Confident | 109 Ų | 109 | 56 Ų | 56 | 51% | 0.509 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 153.9 | 175.8 | -178.3 | 172 | 15.2 | 0 | 0 | 109.3 | Y222 R223 | Q189-Y222 CarbonylContact O-C 3.55Å; Q189-Y222 WeakPolarHBondContact O-CA 3.34Å; Q189-R223 HydrophobicContact CB-CB 4.4Å; Q189-R223 PolarHBondContact N-O 3.47Å; Q189-R223 PolarHBondContact O-N 3.11Å |
| 190 | K | 90.5 | Very high | 85.8 | Confident | 20 Ų | 20 | 55.9 Ų | 55.9 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.6 | 164.9 | -159.7 | -174.8 | -173.1 | -153.4 | 0 | 107.7 | A192 G193 L195 D217 A219 Y222 | K190-A192 PolarHBondContact O-N 3Å; K190-A192 VanDerWaalsContact O-N 3.12Å; K190-G193 PolarHBondContact O-N 3.17Å; K190-L195 HydrophobicContact CB-CD2 4.31Å; K190-D217 PolarHBondContact NZ-O 3.45Å; K190-A219 WeakPolarHBondContact CE-O 3.45Å; K190-A219 PolarHBondContact NZ-O 3.43Å; K190-Y222 HydrophobicContact CB-CE1 4.45Å; K190-Y222 HydrophobicContact CD-CE1 4.4Å; K190-Y222 HydrophobicContact CD-CE2 4.15Å; K190-Y222 WeakPolarHBondContact CE-OH 3.41Å; K190-Y222 HydrophobicContact CG-CD1 4.47Å; K190-Y222 HydrophobicContact CG-CD2 4.34Å; K190-Y222 HydrophobicContact CG-CE1 4.2Å; K190-Y222 HydrophobicContact CG-CE2 4.04Å |
| 191 | D | 78.1 | Confident | 86 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 37% | 0.369 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18 | -170.7 | -88.5 | 9.6 | 0 | 0 | 0 | 113.5 | E221 R223 | D191-E221 HydrophobicContact CB-CB 4.47Å; D191-E221 PolarHBondContact N-O 2.98Å; D191-R223 WeakPolarHBondContact OD1-CB 3.26Å; D191-R223 IonicContact OD1-CZ 2.79Å; D191-R223 IonicContact OD1-NE 2.69Å; D191-R223 PolarHBondContact OD1-NE 3.4Å; D191-R223 IonicContact OD1-NH2 2.69Å; D191-R223 IonicContact OD2-CZ 2.68Å; D191-R223 IonicContact OD2-NE 3.18Å; D191-R223 PolarHBondContact OD2-NE 3.36Å; D191-R223 IonicContact OD2-NH2 3.43Å; D191-R223 PolarHBondContact OD2-NH2 3Å |
| 192 | A | 72.1 | Confident | 86.1 | Confident | 90 Ų | 90 | 63.3 Ų | 63.3 | 74% | 0.744 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.3 | 21.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K190 | K190-A192 PolarHBondContact O-N 3Å; K190-A192 VanDerWaalsContact O-N 3.12Å |
| 193 | G | 72 | Confident | 86 | Confident | 47 Ų | 47 | 63.6 Ų | 63.6 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | B | Isolated β-bridge | trans | 174.1 | -161.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | K190 | K190-G193 PolarHBondContact O-N 3.17Å |
| 194 | K | 80.1 | Confident | 85.9 | Confident | 191 Ų | 191 | 63.3 Ų | 63.3 | 83% | 0.83 | 38% | 0.379 | S | S | * | . | trans | -91.2 | 163.4 | 164.6 | -67.6 | -175.9 | 178.7 | -179.1 | 0 | 109.7 | ||||
| 195 | L | 88.2 | Confident | 85.8 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 18% | 0.178 | 40% | 0.398 | C | S | . | . | trans | -69.8 | 149.5 | 163.1 | -63.5 | 174.6 | 0 | 0 | 0 | 109.1 | W188 K190 S197 A200 F202 L209 Y222 | W188-L195 HydrophobicContact CB-CD1 3.97Å; K190-L195 HydrophobicContact CB-CD2 4.31Å; L195-S197 PolarHBondContact O-N 2.84Å; L195-A200 HydrophobicContact CB-CB 4.28Å; L195-F202 HydrophobicContact CD1-CE1 4.22Å; L195-F202 HydrophobicContact CD1-CZ 3.71Å; L195-L209 HydrophobicContact CD1-CD2 4.33Å; L195-L209 HydrophobicContact CD2-CD2 3.89Å; L195-Y222 HydrophobicContact CD2-CD1 3.83Å; L195-Y222 HydrophobicContact CD2-CE1 3.51Å | ||
| 196 | P | 84 | Confident | 85.6 | Confident | 21 Ų | 21 | 67.5 Ų | 67.5 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | trans | -70.5 | 112.1 | -176.9 | 28.5 | -35.4 | 0 | 0 | 0 | 111.3 | R199 A200 I211 | P196-R199 HydrophobicContact CB-CB 4.31Å; P196-R199 HydrophobicContact CG-CB 4.39Å; P196-R199 PolarHBondContact O-N 2.92Å; P196-A200 HydrophobicContact CG-CB 4.17Å; P196-A200 VanDerWaalsContact O-CB 3.29Å; P196-A200 WeakPolarHBondContact O-CB 3.36Å; P196-A200 PolarHBondContact O-N 3.02Å; P196-I211 HydrophobicContact CG-CD1 4.01Å; P196-I211 HydrophobicContact CG-CG1 4.26Å; P196-I211 HydrophobicContact CG-CG2 3.84Å | ||
| 197 | S | 77.2 | Confident | 85.4 | Confident | 120 Ų | 120 | 67.1 Ų | 67.1 | 84% | 0.839 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 141.1 | 174 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L195 R199 | L195-S197 PolarHBondContact O-N 2.84Å; S197-R199 PolarHBondContact O-N 2.92Å |
| 198 | G | 79.3 | Confident | 85.3 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | -32.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 199 | R | 89.1 | Confident | 85.2 | Confident | 65 Ų | 65 | 63.3 Ų | 63.3 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -23.6 | 179.5 | -60.1 | -167.2 | -60.9 | 104.7 | -0.4 | 114.4 | P196 S197 I211 S212 N213 D218 | P196-R199 HydrophobicContact CB-CB 4.31Å; P196-R199 HydrophobicContact CG-CB 4.39Å; P196-R199 PolarHBondContact O-N 2.92Å; S197-R199 PolarHBondContact O-N 2.92Å; R199-I211 WeakPolarHBondContact O-CA 3.48Å; R199-S212 PolarHBondContact NH1-O 2.85Å; R199-S212 PolarHBondContact O-N 2.76Å; R199-N213 PolarHBondContact NH1-O 2.91Å; R199-N213 VanDerWaalsContact NH1-O 3.1Å; R199-D218 IonicContact CZ-OD1 2.68Å; R199-D218 IonicContact CZ-OD2 2.68Å; R199-D218 IonicContact NH1-OD1 3.31Å; R199-D218 IonicContact NH1-OD2 3.61Å; R199-D218 PolarHBondContact NH1-OD2 2.79Å; R199-D218 VanDerWaalsContact NH2-CG 3.28Å; R199-D218 IonicContact NH2-OD1 3.49Å; R199-D218 PolarHBondContact NH2-OD1 3.07Å; R199-D218 IonicContact NH2-OD2 3.68Å; R199-D218 PolarHBondContact NH2-OD2 2.99Å |
| 200 | A | 89.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L195 P196 L209 K210 I211 | L195-A200 HydrophobicContact CB-CB 4.28Å; P196-A200 HydrophobicContact CG-CB 4.17Å; P196-A200 VanDerWaalsContact O-CB 3.29Å; P196-A200 WeakPolarHBondContact O-CB 3.36Å; P196-A200 PolarHBondContact O-N 3.02Å; A200-L209 HydrophobicContact CB-CD1 4Å; A200-K210 CarbonylContact C-O 3.56Å; A200-K210 WeakPolarHBondContact CA-O 3.44Å; A200-I211 HydrophobicContact CB-CG1 4.28Å |
| 201 | L | 91.3 | Very high | 85.4 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.2 | 177.1 | -63.3 | 175 | 0 | 0 | 0 | 110.5 | K210 | L201-K210 HydrophobicContact CB-CB 4.47Å; L201-K210 PolarHBondContact N-O 2.93Å; L201-K210 PolarHBondContact O-N 2.86Å |
| 202 | F | 89.6 | Confident | 86.1 | Confident | 101 Ų | 101 | 59 Ų | 59 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.5 | 175 | -59.6 | -74.6 | 0 | 0 | 0 | 110.7 | W188 L195 L209 | W188-F202 HydrophobicContact CB-CE1 4.03Å; W188-F202 AromaticContact CD1-CD1 3.97Å; W188-F202 AromaticContact CD1-CE1 3.69Å; W188-F202 HydrophobicContact CG-CE1 4.08Å; L195-F202 HydrophobicContact CD1-CE1 4.22Å; L195-F202 HydrophobicContact CD1-CZ 3.71Å; F202-L209 HydrophobicContact CD1-CB 4.4Å; F202-L209 HydrophobicContact CD1-CD1 4.26Å; F202-L209 HydrophobicContact CE1-CB 4.35Å; F202-L209 HydrophobicContact CE1-CD1 3.83Å; F202-L209 HydrophobicContact CZ-CD1 4.34Å |
| 203 | S | 87.8 | Confident | 86.8 | Confident | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 175.9 | 175.3 | 60.8 | 0 | 0 | 0 | 0 | 110.5 | F205 N206 K207 T208 | S203-F205 VanDerWaalsContact C-N 3.27Å; S203-F205 PolarHBondContact O-N 2.85Å; S203-N206 PolarHBondContact O-N 2.74Å; S203-N206 VanDerWaalsContact O-N 3.17Å; S203-K207 PolarHBondContact O-N 3.18Å; S203-T208 PolarHBondContact N-O 3.16Å; S203-T208 PolarHBondContact O-N 2.67Å; S203-T208 VanDerWaalsContact O-N 3.15Å; S203-T208 WeakPolarHBondContact OG-CB 3.34Å |
| 204 | N | 87.4 | Confident | 87.7 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 16% | 0.16 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56 | 40.1 | 177.9 | -164.8 | 29.4 | 0 | 0 | 0 | 112.9 | S98 Q99 K207 | S98-N204 VanDerWaalsContact CB-OD1 3.28Å; S98-N204 WeakPolarHBondContact CB-OD1 3.31Å; Q99-N204 PolarHBondContact N-OD1 2.65Å; Q99-N204 PolarHBondContact O-ND2 2.89Å; N204-K207 HydrophobicContact CB-CB 4.31Å; N204-K207 VanDerWaalsContact O-CB 3.24Å; N204-K207 WeakPolarHBondContact O-CB 3.34Å; N204-K207 WeakPolarHBondContact O-CG 3.36Å; N204-K207 PolarHBondContact O-N 2.89Å |
| 205 | F | 88.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 50.6 Ų | 50.6 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 53.2 | -175.7 | -48.4 | -83.4 | 0 | 0 | 0 | 112.3 | L93 N94 K95 S203 K207 | L93-F205 HydrophobicContact CB-CE2 3.9Å; L93-F205 WeakPolarHBondContact O-CZ 3.45Å; N94-F205 VanDerWaalsContact C-CD2 3.41Å; N94-F205 VanDerWaalsContact CA-CZ 3.46Å; N94-F205 VanDerWaalsContact N-CE2 3.33Å; N94-F205 WeakPolarHBondContact O-CD2 3.37Å; K95-F205 HydrophobicContact CG-CB 4.2Å; K95-F205 HydrophobicContact CG-CD1 4.39Å; K95-F205 HydrophobicContact CG-CG 4.47Å; S203-F205 VanDerWaalsContact C-N 3.27Å; S203-F205 PolarHBondContact O-N 2.85Å; F205-K207 PolarHBondContact O-N 3.27Å |
| 206 | N | 88.3 | Confident | 88.2 | Confident | 74 Ų | 74 | 52.3 Ų | 52.3 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 0.5 | -174.6 | -59.5 | -4.2 | 0 | 0 | 0 | 115.8 | I186 W188 S203 T208 | I186-N206 HydrophobicContact CB-CB 4.23Å; I186-N206 WeakPolarHBondContact CG2-O 3.32Å; I186-N206 WeakPolarHBondContact O-CB 3.25Å; I186-N206 PolarHBondContact O-ND2 2.91Å; W188-N206 PolarHBondContact NE1-O 3.38Å; S203-N206 PolarHBondContact O-N 2.74Å; S203-N206 VanDerWaalsContact O-N 3.17Å; N206-T208 PolarHBondContact O-N 2.82Å |
| 207 | K | 87.2 | Confident | 88.4 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.4 | 176.5 | -66.2 | 170.6 | 179.3 | -176.1 | 0 | 113.3 | K95 S98 S108 C176 I177 I186 S203 N204 F205 | K95-K207 WeakPolarHBondContact O-CE 3.31Å; K95-K207 PolarHBondContact O-NZ 3.47Å; S98-K207 VanDerWaalsContact OG-CD 3.29Å; S98-K207 WeakPolarHBondContact OG-CD 3.32Å; S98-K207 PolarHBondContact OG-NZ 3.11Å; S108-K207 PolarHBondContact OG-NZ 2.89Å; C176-K207 PolarHBondContact N-O 2.93Å; C176-K207 WeakPolarHBondContact O-CA 3.39Å; C176-K207 WeakPolarHBondContact O-CB 3.45Å; I177-K207 HydrophobicContact CG1-CB 4.21Å; I177-K207 HydrophobicContact CG1-CD 4.41Å; I177-K207 HydrophobicContact CG2-CD 4.46Å; I186-K207 HydrophobicContact CG1-CG 3.86Å; S203-K207 PolarHBondContact O-N 3.18Å; N204-K207 HydrophobicContact CB-CB 4.31Å; N204-K207 VanDerWaalsContact O-CB 3.24Å; N204-K207 WeakPolarHBondContact O-CB 3.34Å; N204-K207 WeakPolarHBondContact O-CG 3.36Å; N204-K207 PolarHBondContact O-N 2.89Å; F205-K207 PolarHBondContact O-N 3.27Å |
| 208 | T | 89 | Confident | 89.1 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 126.7 | 177.2 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | L101 L174 S203 N206 | L101-T208 HydrophobicContact CD2-CG2 4.01Å; L174-T208 WeakPolarHBondContact O-CA 3.48Å; S203-T208 PolarHBondContact N-O 3.16Å; S203-T208 PolarHBondContact O-N 2.67Å; S203-T208 VanDerWaalsContact O-N 3.15Å; S203-T208 WeakPolarHBondContact OG-CB 3.34Å; N206-T208 PolarHBondContact O-N 2.82Å |
| 209 | L | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 121.5 | 172.5 | 163.3 | 60.6 | 0 | 0 | 0 | 108.9 | L174 W188 L195 A200 F202 I211 Y222 | L174-L209 HydrophobicContact CB-CB 4.39Å; L174-L209 HydrophobicContact CD1-CD2 4.28Å; L174-L209 PolarHBondContact N-O 2.85Å; L174-L209 PolarHBondContact O-N 3.48Å; W188-L209 HydrophobicContact CB-CD2 4.09Å; W188-L209 HydrophobicContact CD2-CB 3.86Å; W188-L209 HydrophobicContact CD2-CD2 3.86Å; W188-L209 HydrophobicContact CE3-CB 4.36Å; W188-L209 HydrophobicContact CE3-CD2 3.85Å; W188-L209 HydrophobicContact CG-CB 4.15Å; W188-L209 HydrophobicContact CG-CD2 4Å; W188-L209 HydrophobicContact CZ2-CB 4.09Å; L195-L209 HydrophobicContact CD1-CD2 4.33Å; L195-L209 HydrophobicContact CD2-CD2 3.89Å; A200-L209 HydrophobicContact CB-CD1 4Å; F202-L209 HydrophobicContact CD1-CB 4.4Å; F202-L209 HydrophobicContact CD1-CD1 4.26Å; F202-L209 HydrophobicContact CE1-CB 4.35Å; F202-L209 HydrophobicContact CE1-CD1 3.83Å; F202-L209 HydrophobicContact CZ-CD1 4.34Å; L209-I211 HydrophobicContact CD1-CG1 4.07Å; L209-I211 HydrophobicContact CG-CG1 4.38Å; L209-Y222 HydrophobicContact CD2-CD1 3.98Å; L209-Y222 HydrophobicContact CD2-CE1 4.25Å |
| 210 | K | 92.6 | Very high | 89.7 | Confident | 65 Ų | 65 | 47.7 Ų | 47.7 | 28% | 0.283 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 128.5 | 179.1 | -177.5 | 178.6 | 179.5 | 79.9 | 0 | 108.9 | T171 L172 E173 A200 L201 | T171-K210 HydrophobicContact CG2-CD 4.22Å; T171-K210 HydrophobicContact CG2-CG 3.51Å; L172-K210 CarbonylContact O-C 3.49Å; L172-K210 WeakPolarHBondContact O-CA 3.46Å; E173-K210 HydrophobicContact CG-CB 4.3Å; E173-K210 HydrophobicContact CG-CG 3.98Å; E173-K210 IonicContact OE1-NZ 3.4Å; E173-K210 PolarHBondContact OE1-NZ 2.84Å; A200-K210 CarbonylContact C-O 3.56Å; A200-K210 WeakPolarHBondContact CA-O 3.44Å; L201-K210 HydrophobicContact CB-CB 4.47Å; L201-K210 PolarHBondContact N-O 2.93Å; L201-K210 PolarHBondContact O-N 2.86Å |
| 211 | I | 92.2 | Very high | 89.8 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.7 | 175.7 | -62 | 176.3 | 0 | 0 | 0 | 108.3 | T171 L172 P196 R199 A200 L209 V214 Y222 | T171-I211 CarbonylContact C-O 3.57Å; T171-I211 WeakPolarHBondContact CA-O 3.36Å; L172-I211 HydrophobicContact CB-CB 4.41Å; L172-I211 PolarHBondContact N-O 2.87Å; L172-I211 PolarHBondContact O-N 2.58Å; P196-I211 HydrophobicContact CG-CD1 4.01Å; P196-I211 HydrophobicContact CG-CG1 4.26Å; P196-I211 HydrophobicContact CG-CG2 3.84Å; R199-I211 WeakPolarHBondContact O-CA 3.48Å; A200-I211 HydrophobicContact CB-CG1 4.28Å; L209-I211 HydrophobicContact CD1-CG1 4.07Å; L209-I211 HydrophobicContact CG-CG1 4.38Å; I211-V214 HydrophobicContact CG2-CG2 4.39Å; I211-V214 WeakPolarHBondContact O-CG2 3.46Å; I211-Y222 HydrophobicContact CD1-CE1 3.74Å |
| 212 | S | 92.3 | Very high | 89.8 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -86.1 | 152 | -179.4 | -58.9 | 0 | 0 | 0 | 0 | 112 | R199 | R199-S212 PolarHBondContact NH1-O 2.85Å; R199-S212 PolarHBondContact O-N 2.76Å |
| 213 | N | 87.6 | Confident | 89.9 | Confident | 111 Ų | 111 | 43.3 Ų | 43.3 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 49.4 | 63.8 | 179.6 | -171.1 | 15.9 | 0 | 0 | 0 | 111.8 | E170 R199 | E170-N213 PolarHBondContact O-N 2.92Å; R199-N213 PolarHBondContact NH1-O 2.91Å; R199-N213 VanDerWaalsContact NH1-O 3.1Å |
| 214 | V | 90.9 | Very high | 90 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -65.4 | 136.1 | -172.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V166 R168 G169 E170 L172 I211 D218 V241 | V166-V214 HydrophobicContact CG1-CG1 3.85Å; V166-V214 HydrophobicContact CG2-CB 4.5Å; V166-V214 HydrophobicContact CG2-CG2 4.25Å; R168-V214 CarbonylContact C-O 3.55Å; R168-V214 VanDerWaalsContact CA-O 3.31Å; R168-V214 WeakPolarHBondContact CA-O 3.16Å; G169-V214 PolarHBondContact N-O 2.76Å; E170-V214 WeakPolarHBondContact O-CG2 3.23Å; E170-V214 PolarHBondContact O-N 2.95Å; L172-V214 HydrophobicContact CB-CG2 3.61Å; I211-V214 HydrophobicContact CG2-CG2 4.39Å; I211-V214 WeakPolarHBondContact O-CG2 3.46Å; V214-D218 WeakPolarHBondContact CA-OD2 3.38Å; V214-D218 HydrophobicContact CG1-CB 4Å; V214-V241 HydrophobicContact CG1-CB 4.42Å; V214-V241 HydrophobicContact CG1-CG1 3.92Å; V214-V241 HydrophobicContact CG1-CG2 3.57Å | ||
| 215 | N | 90.2 | Very high | 90.2 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | trans | -123.9 | 177.2 | 175 | 79.6 | -12 | 0 | 0 | 0 | 112.3 | D217 D218 V241 | N215-D217 PolarHBondContact ND2-OD2 3.28Å; N215-D217 PolarHBondContact O-N 2.84Å; N215-D217 WeakPolarHBondContact OD1-CB 3.5Å; N215-D217 PolarHBondContact OD1-N 3.03Å; N215-D217 VanDerWaalsContact OD1-N 3.16Å; N215-D218 PolarHBondContact N-OD2 2.97Å; N215-D218 WeakPolarHBondContact O-CB 3.49Å; N215-D218 PolarHBondContact O-N 2.98Å; N215-D218 PolarHBondContact OD1-N 3.21Å; N215-D218 VanDerWaalsContact OD1-N 3.16Å; N215-D218 PolarHBondContact OD1-OD2 2.99Å; N215-V241 WeakPolarHBondContact O-CG2 3.1Å | ||
| 216 | E | 87.8 | Confident | 90.4 | Very high | 71 Ų | 71 | 35.9 Ų | 35.9 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -61.4 | -30.2 | -179.3 | -65 | 79.9 | 178.3 | 0 | 0 | 112.8 | R168 D218 A219 | R168-E216 WeakPolarHBondContact CD-OE1 3.45Å; R168-E216 IonicContact CZ-OE1 3.81Å; R168-E216 IonicContact CZ-OE2 2.7Å; R168-E216 IonicContact NH1-OE1 3.41Å; R168-E216 PolarHBondContact NH1-OE1 2.62Å; R168-E216 IonicContact NH1-OE2 2.69Å; R168-E216 PolarHBondContact NH1-OE2 2.91Å; E216-D218 PolarHBondContact O-N 3.21Å; E216-A219 VanDerWaalsContact O-CB 3.25Å; E216-A219 WeakPolarHBondContact O-CB 3.46Å; E216-A219 PolarHBondContact O-N 3.4Å; E216-A219 VanDerWaalsContact O-N 3.11Å |
| 217 | D | 89.2 | Confident | 90.6 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 66% | 0.658 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -69.8 | -16.6 | 175.9 | -51.9 | -57 | 0 | 0 | 0 | 113.2 | K190 N215 A219 | K190-D217 PolarHBondContact NZ-O 3.45Å; N215-D217 PolarHBondContact ND2-OD2 3.28Å; N215-D217 PolarHBondContact O-N 2.84Å; N215-D217 WeakPolarHBondContact OD1-CB 3.5Å; N215-D217 PolarHBondContact OD1-N 3.03Å; N215-D217 VanDerWaalsContact OD1-N 3.16Å; D217-A219 VanDerWaalsContact C-N 3.29Å |
| 218 | D | 90.9 | Very high | 90.9 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -79.3 | -9.5 | 171.9 | -63.8 | -42.2 | 0 | 0 | 0 | 112.4 | R199 V214 N215 E216 Y222 V241 | R199-D218 IonicContact CZ-OD1 2.68Å; R199-D218 IonicContact CZ-OD2 2.68Å; R199-D218 IonicContact NH1-OD1 3.31Å; R199-D218 IonicContact NH1-OD2 3.61Å; R199-D218 PolarHBondContact NH1-OD2 2.79Å; R199-D218 VanDerWaalsContact NH2-CG 3.28Å; R199-D218 IonicContact NH2-OD1 3.49Å; R199-D218 PolarHBondContact NH2-OD1 3.07Å; R199-D218 IonicContact NH2-OD2 3.68Å; R199-D218 PolarHBondContact NH2-OD2 2.99Å; V214-D218 WeakPolarHBondContact CA-OD2 3.38Å; V214-D218 HydrophobicContact CG1-CB 4Å; N215-D218 PolarHBondContact N-OD2 2.97Å; N215-D218 WeakPolarHBondContact O-CB 3.49Å; N215-D218 PolarHBondContact O-N 2.98Å; N215-D218 PolarHBondContact OD1-N 3.21Å; N215-D218 VanDerWaalsContact OD1-N 3.16Å; N215-D218 PolarHBondContact OD1-OD2 2.99Å; E216-D218 PolarHBondContact O-N 3.21Å; D218-Y222 VanDerWaalsContact O-CE2 3.3Å; D218-Y222 WeakPolarHBondContact O-CE2 3.29Å; D218-Y222 PolarHBondContact O-OH 3.25Å; D218-V241 HydrophobicContact CB-CG2 4.47Å |
| 219 | A | 90.5 | Very high | 91 | Very high | 38 Ų | 38 | 42.8 Ų | 42.8 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | trans | -67.3 | 148.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K190 E216 D217 V239 V241 | K190-A219 WeakPolarHBondContact CE-O 3.45Å; K190-A219 PolarHBondContact NZ-O 3.43Å; E216-A219 VanDerWaalsContact O-CB 3.25Å; E216-A219 WeakPolarHBondContact O-CB 3.46Å; E216-A219 PolarHBondContact O-N 3.4Å; E216-A219 VanDerWaalsContact O-N 3.11Å; D217-A219 VanDerWaalsContact C-N 3.29Å; A219-V239 WeakPolarHBondContact CA-O 3.22Å; A219-V241 HydrophobicContact CB-CB 4.28Å; A219-V241 HydrophobicContact CB-CG2 4.01Å | ||
| 220 | G | 90.3 | Very high | 91 | Very high | 27 Ų | 27 | 45.5 Ų | 45.5 | 28% | 0.278 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.7 | -164.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114 | V239 | G220-V239 PolarHBondContact N-O 2.79Å; G220-V239 PolarHBondContact O-N 2.91Å |
| 221 | E | 91.8 | Very high | 90.9 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 32% | 0.318 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.5 | -177.8 | -51.5 | -157.7 | -170.1 | 0 | 0 | 111.3 | D191 K238 | D191-E221 HydrophobicContact CB-CB 4.47Å; D191-E221 PolarHBondContact N-O 2.98Å; E221-K238 HydrophobicContact CG-CG 4.12Å; E221-K238 IonicContact OE1-NZ 2.73Å; E221-K238 PolarHBondContact OE1-NZ 2.99Å; E221-K238 IonicContact OE2-NZ 2.65Å; E221-K238 PolarHBondContact OE2-NZ 3.47Å |
| 222 | Y | 91.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.4 | 179.5 | -74.7 | -106.4 | 0 | 0 | 0 | 109.4 | L174 Q189 K190 L195 L209 I211 D218 L236 I237 V239 | L174-Y222 HydrophobicContact CD1-CD1 3.65Å; L174-Y222 HydrophobicContact CD1-CD2 4.16Å; L174-Y222 HydrophobicContact CD1-CE1 4.28Å; L174-Y222 HydrophobicContact CD1-CG 3.58Å; Q189-Y222 CarbonylContact O-C 3.55Å; Q189-Y222 WeakPolarHBondContact O-CA 3.34Å; K190-Y222 HydrophobicContact CB-CE1 4.45Å; K190-Y222 HydrophobicContact CD-CE1 4.4Å; K190-Y222 HydrophobicContact CD-CE2 4.15Å; K190-Y222 WeakPolarHBondContact CE-OH 3.41Å; K190-Y222 HydrophobicContact CG-CD1 4.47Å; K190-Y222 HydrophobicContact CG-CD2 4.34Å; K190-Y222 HydrophobicContact CG-CE1 4.2Å; K190-Y222 HydrophobicContact CG-CE2 4.04Å; L195-Y222 HydrophobicContact CD2-CD1 3.83Å; L195-Y222 HydrophobicContact CD2-CE1 3.51Å; L209-Y222 HydrophobicContact CD2-CD1 3.98Å; L209-Y222 HydrophobicContact CD2-CE1 4.25Å; I211-Y222 HydrophobicContact CD1-CE1 3.74Å; D218-Y222 VanDerWaalsContact O-CE2 3.3Å; D218-Y222 WeakPolarHBondContact O-CE2 3.29Å; D218-Y222 PolarHBondContact O-OH 3.25Å; Y222-L236 WeakPolarHBondContact O-CA 3.21Å; Y222-I237 PolarHBondContact N-O 2.82Å; Y222-I237 PolarHBondContact O-N 2.98Å; Y222-V239 HydrophobicContact CD2-CB 4.07Å; Y222-V239 HydrophobicContact CD2-CG2 3.46Å; Y222-V239 VanDerWaalsContact CD2-CG2 3.46Å; Y222-V239 HydrophobicContact CE2-CB 3.97Å; Y222-V239 HydrophobicContact CE2-CG2 3.71Å; Y222-V239 HydrophobicContact CG-CG2 4.34Å |
| 223 | R | 90.4 | Very high | 90.8 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 21% | 0.208 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111 | 179.9 | -179 | -178.3 | -62.2 | -92.3 | -5.9 | 109.5 | W188 Q189 D191 H234 H235 L236 | W188-R223 WeakPolarHBondContact CA-O 3.38Å; Q189-R223 HydrophobicContact CB-CB 4.4Å; Q189-R223 PolarHBondContact N-O 3.47Å; Q189-R223 PolarHBondContact O-N 3.11Å; D191-R223 WeakPolarHBondContact OD1-CB 3.26Å; D191-R223 IonicContact OD1-CZ 2.79Å; D191-R223 IonicContact OD1-NE 2.69Å; D191-R223 PolarHBondContact OD1-NE 3.4Å; D191-R223 IonicContact OD1-NH2 2.69Å; D191-R223 IonicContact OD2-CZ 2.68Å; D191-R223 IonicContact OD2-NE 3.18Å; D191-R223 PolarHBondContact OD2-NE 3.36Å; D191-R223 IonicContact OD2-NH2 3.43Å; D191-R223 PolarHBondContact OD2-NH2 3Å; R223-H234 HydrophobicContact CG-CB 4.22Å; R223-H234 PolarHBondContact NH1-CD2 3.19Å; R223-H234 PolarHBondContact NH1-NE2 2.95Å; R223-H235 WeakPolarHBondContact CA-O 3.34Å; R223-L236 HydrophobicContact CB-CD2 3.77Å; R223-L236 HydrophobicContact CG-CD2 4.07Å |
| 224 | C | 90.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 138.2 | 160.7 | 171 | 0 | 0 | 0 | 0 | 109.3 | C176 S187 W188 H234 H235 | C176-C224 HydrophobicContact CB-CB 3.48Å; C176-C224 VanDerWaalsContact CB-CB 3.48Å; C176-C224 WeakPolarHBondContact CB-SG 3.31Å; C176-C224 WeakPolarHBondContact SG-CB 3.34Å; C176-C224 CovalentContact SG-SG 2.01Å; C176-C224 PolarHBondContact SG-SG 3.1Å; S187-C224 WeakPolarHBondContact O-CA 3.3Å; W188-C224 HydrophobicContact CD2-CB 4.31Å; W188-C224 HydrophobicContact CE3-CB 4.03Å; W188-C224 HydrophobicContact CH2-CB 4.2Å; W188-C224 HydrophobicContact CZ2-CB 4.46Å; W188-C224 HydrophobicContact CZ3-CB 3.97Å; C224-H234 CarbonylContact O-C 3.58Å; C224-H234 WeakPolarHBondContact O-CA 3.18Å; C224-H234 VanDerWaalsContact O-CB 3.29Å; C224-H234 WeakPolarHBondContact O-CB 3.46Å; C224-H235 PolarHBondContact N-O 3.32Å; C224-H235 PolarHBondContact O-N 2.81Å |
| 225 | T | 91.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 48.8 Ų | 48.8 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.1 | 170.1 | -53.5 | 0 | 0 | 0 | 0 | 110 | I186 S187 A233 | I186-T225 WeakPolarHBondContact CA-O 3.2Å; S187-T225 PolarHBondContact N-O 3.05Å; S187-T225 PolarHBondContact O-N 3.4Å; T225-A233 CarbonylContact C-O 3.4Å; T225-A233 WeakPolarHBondContact CA-O 3.47Å |
| 226 | A | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 127.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P152 F154 A178 P184 D185 I186 S232 A233 | P152-A226 HydrophobicContact CB-CB 3.95Å; F154-A226 HydrophobicContact CE1-CB 3.87Å; F154-A226 HydrophobicContact CZ-CB 3.65Å; A178-A226 HydrophobicContact CB-CB 3.45Å; A178-A226 VanDerWaalsContact CB-CB 3.45Å; P184-A226 HydrophobicContact CB-CB 4.1Å; D185-A226 CarbonylContact O-C 3.3Å; D185-A226 WeakPolarHBondContact O-CA 3.42Å; I186-A226 HydrophobicContact CD1-CB 3.56Å; A226-S232 CarbonylContact O-C 3.47Å; A226-S232 WeakPolarHBondContact O-CA 3.25Å; A226-S232 WeakPolarHBondContact O-CB 3.4Å; A226-A233 PolarHBondContact N-O 3.18Å; A226-A233 PolarHBondContact O-N 2.96Å |
| 227 | T | 93.9 | Very high | 90.5 | Very high | 62 Ų | 62 | 46.1 Ų | 46.1 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135.7 | -171.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | P184 D185 S232 | P184-T227 CarbonylContact C-O 3.57Å; P184-T227 VanDerWaalsContact CA-O 3.28Å; P184-T227 WeakPolarHBondContact CA-O 3.08Å; D185-T227 PolarHBondContact N-O 3.26Å; D185-T227 PolarHBondContact O-N 3Å; T227-S232 WeakPolarHBondContact OG1-CB 3.31Å |
| 228 | N | 92.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 178.7 | 163.6 | 77.6 | 13.2 | 0 | 0 | 0 | 110.3 | R150 P152 P182 L230 G231 | R150-N228 PolarHBondContact O-ND2 3.16Å; P152-N228 WeakPolarHBondContact CD-OD1 3.33Å; P152-N228 HydrophobicContact CG-CB 4.21Å; P182-N228 PolarHBondContact O-ND2 2.91Å; N228-L230 PolarHBondContact O-N 3.41Å; N228-L230 WeakPolarHBondContact OD1-CB 3.3Å; N228-L230 PolarHBondContact OD1-N 3.35Å; N228-G231 PolarHBondContact N-O 3.01Å; N228-G231 PolarHBondContact O-N 2.86Å |
| 229 | K | 90.7 | Very high | 90.5 | Very high | 148 Ų | 148 | 45 Ų | 45 | 64% | 0.643 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -12.4 | -175.2 | 70.3 | 178.8 | -170.5 | 174.9 | 0 | 115.6 | E149 P182 | E149-K229 WeakPolarHBondContact OE1-CE 3.47Å; E149-K229 IonicContact OE1-NZ 2.71Å; E149-K229 PolarHBondContact OE1-NZ 2.85Å; E149-K229 WeakPolarHBondContact OE2-CE 3.24Å; E149-K229 IonicContact OE2-NZ 3.27Å; E149-K229 PolarHBondContact OE2-NZ 3.26Å; P182-K229 HydrophobicContact CG-CD 4.19Å; P182-K229 HydrophobicContact CG-CG 4.26Å |
| 230 | L | 90.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 45.5 Ų | 45.5 | 30% | 0.298 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -14.6 | 175 | -63.5 | -178.8 | 0 | 0 | 0 | 114.2 | E149 R151 N228 | E149-L230 HydrophobicContact CB-CD1 3.57Å; E149-L230 HydrophobicContact CB-CG 4.32Å; E149-L230 VanDerWaalsContact O-CD1 3.26Å; E149-L230 WeakPolarHBondContact O-CD1 3.21Å; R151-L230 HydrophobicContact CG-CB 3.61Å; R151-L230 HydrophobicContact CG-CD1 4.47Å; R151-L230 PolarHBondContact NE-O 2.85Å; R151-L230 PolarHBondContact NH2-O 2.7Å; N228-L230 PolarHBondContact O-N 3.41Å; N228-L230 WeakPolarHBondContact OD1-CB 3.3Å; N228-L230 PolarHBondContact OD1-N 3.35Å |
| 231 | G | 91.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 44.7 Ų | 44.7 | 26% | 0.258 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.4 | -170.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P152 N228 | P152-G231 VanDerWaalsContact CD-O 3.24Å; P152-G231 WeakPolarHBondContact CD-O 3.29Å; P152-G231 VanDerWaalsContact CG-O 3.29Å; P152-G231 WeakPolarHBondContact CG-O 3.44Å; N228-G231 PolarHBondContact N-O 3.01Å; N228-G231 PolarHBondContact O-N 2.86Å |
| 232 | S | 91.9 | Very high | 90.7 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 57% | 0.573 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 157.6 | 178.6 | 58.5 | 0 | 0 | 0 | 0 | 113 | A226 T227 | A226-S232 CarbonylContact O-C 3.47Å; A226-S232 WeakPolarHBondContact O-CA 3.25Å; A226-S232 WeakPolarHBondContact O-CB 3.4Å; T227-S232 WeakPolarHBondContact OG1-CB 3.31Å |
| 233 | A | 89.9 | Confident | 90.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 154 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | P152 F154 T225 A226 | P152-A233 HydrophobicContact CB-CB 4.32Å; P152-A233 WeakPolarHBondContact O-CB 3.02Å; F154-A233 HydrophobicContact CD2-CB 4.31Å; F154-A233 HydrophobicContact CE2-CB 3.74Å; F154-A233 HydrophobicContact CZ-CB 4.48Å; T225-A233 CarbonylContact C-O 3.4Å; T225-A233 WeakPolarHBondContact CA-O 3.47Å; A226-A233 PolarHBondContact N-O 3.18Å; A226-A233 PolarHBondContact O-N 2.96Å |
| 234 | H | 88.3 | Confident | 90.4 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.3 | 176.9 | 60.2 | -94.4 | 0 | 0 | 0 | 113.1 | F154 R223 C224 | F154-H234 VanDerWaalsContact CE2-C 3.41Å; R223-H234 HydrophobicContact CG-CB 4.22Å; R223-H234 PolarHBondContact NH1-CD2 3.19Å; R223-H234 PolarHBondContact NH1-NE2 2.95Å; C224-H234 CarbonylContact O-C 3.58Å; C224-H234 WeakPolarHBondContact O-CA 3.18Å; C224-H234 VanDerWaalsContact O-CB 3.29Å; C224-H234 WeakPolarHBondContact O-CB 3.46Å |
| 235 | H | 85.6 | Confident | 90.3 | Very high | 46 Ų | 46 | 43.5 Ų | 43.5 | 21% | 0.213 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.4 | 174.5 | -174.2 | 68.1 | 0 | 0 | 0 | 109.8 | F154 R223 C224 | F154-H235 HydrophobicContact CD2-CB 4.19Å; F154-H235 HydrophobicContact CE2-CB 4.05Å; F154-H235 HydrophobicContact CG-CB 4.49Å; F154-H235 HydrophobicContact CZ-CB 4.22Å; R223-H235 WeakPolarHBondContact CA-O 3.34Å; C224-H235 PolarHBondContact N-O 3.32Å; C224-H235 PolarHBondContact O-N 2.81Å |
| 236 | L | 87.4 | Confident | 90.1 | Very high | 56 Ų | 56 | 44.4 Ų | 44.4 | 29% | 0.293 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 127.2 | -177.5 | -68.7 | 175.6 | 0 | 0 | 0 | 110.7 | Y222 R223 | Y222-L236 WeakPolarHBondContact O-CA 3.21Å; R223-L236 HydrophobicContact CB-CD2 3.77Å; R223-L236 HydrophobicContact CG-CD2 4.07Å |
| 237 | I | 88.3 | Confident | 89.8 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.3 | 176.8 | -50.4 | 175.2 | 0 | 0 | 0 | 108.5 | S160 S162 K164 L174 W188 Y222 | S160-I237 WeakPolarHBondContact OG-CD1 3.44Å; S162-I237 CarbonylContact O-C 3.13Å; S162-I237 WeakPolarHBondContact O-CA 3.21Å; K164-I237 HydrophobicContact CG-CG2 3.89Å; L174-I237 HydrophobicContact CB-CD1 4.32Å; L174-I237 HydrophobicContact CD2-CG2 4.07Å; W188-I237 HydrophobicContact CH2-CD1 3.95Å; W188-I237 HydrophobicContact CZ3-CD1 3.98Å; Y222-I237 PolarHBondContact N-O 2.82Å; Y222-I237 PolarHBondContact O-N 2.98Å |
| 238 | K | 89.9 | Confident | 89.4 | Confident | 95 Ų | 95 | 50.7 Ų | 50.7 | 41% | 0.413 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 122.4 | 174.9 | -53.6 | -172.6 | -171.2 | -70.8 | 0 | 109.4 | S162 N163 K164 E221 | S162-K238 PolarHBondContact O-N 3.27Å; N163-K238 CarbonylContact C-O 3.41Å; N163-K238 WeakPolarHBondContact CA-O 3.19Å; K164-K238 PolarHBondContact N-O 2.91Å; E221-K238 HydrophobicContact CG-CG 4.12Å; E221-K238 IonicContact OE1-NZ 2.73Å; E221-K238 PolarHBondContact OE1-NZ 2.99Å; E221-K238 IonicContact OE2-NZ 2.65Å; E221-K238 PolarHBondContact OE2-NZ 3.47Å |
| 239 | V | 91.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.3 | 179 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | V166 L172 L174 A219 G220 Y222 V241 | V166-V239 HydrophobicContact CG1-CG1 4.42Å; L172-V239 HydrophobicContact CD1-CG1 4.37Å; L172-V239 HydrophobicContact CD2-CB 4.41Å; L172-V239 HydrophobicContact CD2-CG1 3.61Å; L172-V239 HydrophobicContact CD2-CG2 3.89Å; L174-V239 HydrophobicContact CD1-CG2 4.16Å; L174-V239 HydrophobicContact CD2-CG2 4.06Å; A219-V239 WeakPolarHBondContact CA-O 3.22Å; G220-V239 PolarHBondContact N-O 2.79Å; G220-V239 PolarHBondContact O-N 2.91Å; Y222-V239 HydrophobicContact CD2-CB 4.07Å; Y222-V239 HydrophobicContact CD2-CG2 3.46Å; Y222-V239 VanDerWaalsContact CD2-CG2 3.46Å; Y222-V239 HydrophobicContact CE2-CB 3.97Å; Y222-V239 HydrophobicContact CE2-CG2 3.71Å; Y222-V239 HydrophobicContact CG-CG2 4.34Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å |
| 240 | A | 91.3 | Very high | 88.5 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K164 M165 V166 | K164-A240 PolarHBondContact O-N 3.01Å; M165-A240 WeakPolarHBondContact CA-O 3.19Å; V166-A240 PolarHBondContact N-O 3.49Å |
| 241 | V | 92.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 130.9 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 109.2 | V166 V214 N215 D218 A219 V239 N271 | V166-V241 HydrophobicContact CG1-CG2 4.04Å; V214-V241 HydrophobicContact CG1-CB 4.42Å; V214-V241 HydrophobicContact CG1-CG1 3.92Å; V214-V241 HydrophobicContact CG1-CG2 3.57Å; N215-V241 WeakPolarHBondContact O-CG2 3.1Å; D218-V241 HydrophobicContact CB-CG2 4.47Å; A219-V241 HydrophobicContact CB-CB 4.28Å; A219-V241 HydrophobicContact CB-CG2 4.01Å; V239-V241 HydrophobicContact CG1-CG2 4.2Å; V241-N271 PolarHBondContact O-ND2 3.29Å |
| 242 | K | 92.3 | Very high | 88.1 | Confident | 52 Ų | 52 | 50 Ų | 50 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 165.7 | 176.9 | -73.7 | -64.1 | -167.5 | 162.9 | 0 | 109.8 | M165 V166 L167 R168 N271 F322 | M165-K242 HydrophobicContact CG-CB 4.47Å; M165-K242 HydrophobicContact CG-CG 3.88Å; M165-K242 HydrophobicContact SD-CB 3.79Å; M165-K242 HydrophobicContact SD-CG 3.8Å; V166-K242 PolarHBondContact O-N 2.81Å; L167-K242 CarbonylContact C-O 3.5Å; L167-K242 VanDerWaalsContact CA-O 3.29Å; L167-K242 WeakPolarHBondContact CA-O 3.38Å; L167-K242 HydrophobicContact CD2-CB 3.85Å; R168-K242 PolarHBondContact N-O 3.05Å; K242-N271 HydrophobicContact CD-CB 4.45Å; K242-N271 WeakPolarHBondContact CD-O 3.26Å; K242-N271 WeakPolarHBondContact CD-OD1 3.36Å; K242-N271 PolarHBondContact NZ-OD1 3.35Å; K242-F322 HydrophobicContact CB-CD2 4.08Å; K242-F322 HydrophobicContact CB-CE2 3.72Å; K242-F322 HydrophobicContact CB-CZ 4.11Å; K242-F322 HydrophobicContact CD-CE2 3.78Å; K242-F322 HydrophobicContact CD-CZ 4.36Å; K242-F322 HydrophobicContact CG-CE2 3.73Å; K242-F322 HydrophobicContact CG-CZ 3.94Å |
| 243 | A | 87.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 126.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | R168 F246 N271 N320 | R168-A243 HydrophobicContact CB-CB 3.91Å; A243-F246 HydrophobicContact CB-CD1 4.28Å; A243-F246 HydrophobicContact CB-CE1 4.02Å; A243-N271 HydrophobicContact CB-CB 4.35Å; A243-N271 PolarHBondContact N-O 3.09Å; A243-N271 VanDerWaalsContact N-O 3.09Å; A243-N271 CarbonylContact O-C 3.41Å; A243-N271 PolarHBondContact O-N 3.48Å; A243-N320 PolarHBondContact O-ND2 2.94Å |
| 244 | A | 87.3 | Confident | 87.3 | Confident | 36 Ų | 36 | 50 Ų | 50 | 30% | 0.298 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 162.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F246 F322 | A244-F246 PolarHBondContact O-N 3.5Å; A244-F322 HydrophobicContact CB-CB 4.19Å |
| 245 | P | 88.8 | Confident | 86.8 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 136.3 | -175.2 | -24.1 | 38.1 | 0 | 0 | 0 | 112.3 | N269 P274 A318 N320 G323 L325 | P245-N269 CarbonylContact C-O 3.25Å; P245-N269 WeakPolarHBondContact CA-O 3.38Å; P245-P274 HydrophobicContact CB-CB 3.87Å; P245-P274 HydrophobicContact CB-CG 3.58Å; P245-P274 HydrophobicContact CG-CB 3.84Å; P245-P274 HydrophobicContact CG-CG 3.8Å; P245-A318 HydrophobicContact CB-CB 4.22Å; P245-A318 WeakPolarHBondContact CG-O 2.89Å; P245-N320 HydrophobicContact CG-CB 4.33Å; P245-G323 VanDerWaalsContact CD-C 3.48Å; P245-G323 VanDerWaalsContact CD-O 3.26Å; P245-G323 WeakPolarHBondContact CD-O 3.42Å; P245-L325 HydrophobicContact CB-CB 3.91Å |
| 246 | F | 87.5 | Confident | 86.4 | Confident | 46 Ų | 46 | 46.1 Ų | 46.1 | 20% | 0.202 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.7 | 177.1 | 63.2 | -92.1 | 0 | 0 | 0 | 112 | R168 A243 A244 V268 N269 L325 | R168-F246 VanDerWaalsContact NH1-CZ 3.28Å; A243-F246 HydrophobicContact CB-CD1 4.28Å; A243-F246 HydrophobicContact CB-CE1 4.02Å; A244-F246 PolarHBondContact O-N 3.5Å; F246-V268 WeakPolarHBondContact O-CA 3.34Å; F246-N269 HydrophobicContact CD2-CB 4.36Å; F246-N269 HydrophobicContact CE1-CB 4.14Å; F246-N269 HydrophobicContact CE2-CB 3.8Å; F246-N269 HydrophobicContact CZ-CB 3.68Å; F246-N269 PolarHBondContact N-O 2.84Å; F246-N269 PolarHBondContact O-N 3.31Å; F246-L325 VanDerWaalsContact C-CD2 3.49Å |
| 247 | W | 86.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 43.5 Ų | 43.5 | 32% | 0.318 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 135.3 | -176.9 | -64.9 | 119.3 | 0 | 0 | 0 | 112.3 | A250 V268 L325 A327 | W247-A250 HydrophobicContact CD2-CB 3.87Å; W247-A250 HydrophobicContact CE3-CB 3.92Å; W247-A250 HydrophobicContact CG-CB 4.41Å; W247-A250 HydrophobicContact CZ2-CB 4.47Å; W247-A250 HydrophobicContact CZ3-CB 4.27Å; W247-V268 HydrophobicContact CD2-CG1 4.45Å; W247-V268 HydrophobicContact CE3-CG1 3.46Å; W247-V268 VanDerWaalsContact CE3-CG1 3.46Å; W247-V268 HydrophobicContact CH2-CG1 4.34Å; W247-V268 HydrophobicContact CZ3-CG1 3.39Å; W247-L325 HydrophobicContact CD2-CD2 3.4Å; W247-L325 VanDerWaalsContact CD2-CD2 3.4Å; W247-L325 HydrophobicContact CD2-CG 4.18Å; W247-L325 HydrophobicContact CE3-CD2 3.83Å; W247-L325 HydrophobicContact CG-CD2 3.78Å; W247-L325 HydrophobicContact CH2-CD2 4.01Å; W247-L325 HydrophobicContact CH2-CG 4.2Å; W247-L325 HydrophobicContact CZ2-CD1 4.43Å; W247-L325 HydrophobicContact CZ2-CD2 3.64Å; W247-L325 HydrophobicContact CZ2-CG 3.55Å; W247-L325 HydrophobicContact CZ3-CD2 4.11Å; W247-A327 HydrophobicContact CH2-CB 3.47Å; W247-A327 VanDerWaalsContact CH2-CB 3.47Å; W247-A327 HydrophobicContact CZ2-CB 3.33Å; W247-A327 HydrophobicContact CZ3-CB 4.42Å |
| 248 | I | 86.1 | Confident | 85.4 | Confident | 110 Ų | 110 | 46.1 Ų | 46.1 | 56% | 0.564 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -47.4 | 150.9 | -61.2 | 165.7 | 0 | 0 | 0 | 108 | R267 N269 | I248-R267 WeakPolarHBondContact CA-O 3.39Å; I248-R267 HydrophobicContact CB-CB 3.83Å; I248-R267 WeakPolarHBondContact CB-O 3.32Å; I248-R267 HydrophobicContact CG2-CB 4.08Å; I248-R267 PolarHBondContact N-O 2.95Å; I248-N269 HydrophobicContact CD1-CB 3.95Å; I248-N269 HydrophobicContact CG1-CB 4.13Å |
| 249 | S | 81.3 | Confident | 84.9 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 28% | 0.28 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 120 | 168.8 | -174.5 | 0 | 0 | 0 | 0 | 109.7 | C266 R267 | S249-C266 CarbonylContact O-C 3.6Å; S249-R267 PolarHBondContact N-O 3.47Å; S249-R267 PolarHBondContact O-N 2.93Å |
| 250 | A | 83.5 | Confident | 84.3 | Confident | 36 Ų | 36 | 48.3 Ų | 48.3 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 154 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | W247 T265 A327 | W247-A250 HydrophobicContact CD2-CB 3.87Å; W247-A250 HydrophobicContact CE3-CB 3.92Å; W247-A250 HydrophobicContact CG-CB 4.41Å; W247-A250 HydrophobicContact CZ2-CB 4.47Å; W247-A250 HydrophobicContact CZ3-CB 4.27Å; A250-T265 CarbonylContact C-O 3.57Å; A250-A327 HydrophobicContact CB-CB 4.13Å |
| 251 | P | 88 | Confident | 83.9 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 134.5 | 171 | 29.7 | -35.7 | 0 | 0 | 0 | 110.5 | T265 W278 C316 A327 A329 | P251-T265 WeakPolarHBondContact CA-O 3.34Å; P251-W278 HydrophobicContact CB-CH2 3.97Å; P251-W278 HydrophobicContact CB-CZ3 4.38Å; P251-W278 HydrophobicContact CG-CH2 4.26Å; P251-W278 HydrophobicContact CG-CZ3 4.4Å; P251-C316 HydrophobicContact CG-CB 4.11Å; P251-A327 HydrophobicContact CG-CB 4.23Å; P251-A329 HydrophobicContact CB-CB 3.92Å; P251-A329 HydrophobicContact CG-CB 4.2Å |
| 252 | R | 84.4 | Confident | 83.5 | Confident | 148 Ų | 148 | 49.3 Ų | 49.3 | 56% | 0.558 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -89.2 | 166.9 | 176.5 | -66.3 | -178.2 | 177.5 | -116.6 | 1.1 | 110.8 | L264 A329 G1106 | R252-L264 WeakPolarHBondContact O-CD2 3.47Å; R252-A329 VanDerWaalsContact O-CB 3.24Å; R252-A329 WeakPolarHBondContact O-CB 3.38Å; R252-G1106 PolarHBondContact NH1-O 2.67Å |
| 253 | N | 84.6 | Confident | 83.3 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 163.3 | 169.4 | -61.7 | -26.4 | 0 | 0 | 0 | 110.2 | F330 | N253-F330 CarbonylContact C-O 3.58Å; N253-F330 VanDerWaalsContact CA-O 3.3Å; N253-F330 WeakPolarHBondContact CA-O 3.45Å; N253-F330 WeakPolarHBondContact CB-O 3.25Å; N253-F330 WeakPolarHBondContact OD1-CD2 3.31Å; N253-F330 PolarHBondContact OD1-N 3.13Å |
| 254 | L | 80.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 51.2 Ų | 51.2 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131 | 172.6 | -64.7 | 174.3 | 0 | 0 | 0 | 109.7 | L256 L264 L303 F330 V331 N332 | L254-L256 HydrophobicContact CB-CD1 4.45Å; L254-L256 HydrophobicContact CB-CD2 4.36Å; L254-L256 HydrophobicContact CB-CG 4.16Å; L254-L264 HydrophobicContact CD1-CD2 3.54Å; L254-L264 HydrophobicContact CD1-CG 3.84Å; L254-L264 HydrophobicContact CG-CD2 3.77Å; L254-L303 HydrophobicContact CD1-CD1 4.22Å; L254-F330 PolarHBondContact N-O 2.83Å; L254-V331 HydrophobicContact CB-CG2 4.37Å; L254-V331 HydrophobicContact CD1-CG2 4.35Å; L254-V331 WeakPolarHBondContact O-CA 3.46Å; L254-N332 PolarHBondContact O-N 3.24Å |
| 255 | I | 78.6 | Confident | 83.5 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 34% | 0.338 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 119.4 | 164.9 | -59.3 | 171.4 | 0 | 0 | 0 | 106.6 | N332 F363 | I255-N332 WeakPolarHBondContact CA-O 3.37Å; I255-F363 HydrophobicContact CD1-CE2 4.15Å; I255-F363 HydrophobicContact CD1-CZ 4.38Å |
| 256 | L | 77.9 | Confident | 83.6 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 152.1 | -173.9 | -57.8 | 173 | 0 | 0 | 0 | 110.5 | L254 E260 V306 V331 N332 V333 L334 | L254-L256 HydrophobicContact CB-CD1 4.45Å; L254-L256 HydrophobicContact CB-CD2 4.36Å; L254-L256 HydrophobicContact CB-CG 4.16Å; L256-E260 WeakPolarHBondContact CA-OE2 3.39Å; L256-E260 HydrophobicContact CB-CB 4.47Å; L256-E260 HydrophobicContact CD2-CG 4.41Å; L256-V306 HydrophobicContact CB-CG2 3.82Å; L256-V306 HydrophobicContact CD1-CG1 4Å; L256-V306 HydrophobicContact CD1-CG2 3.94Å; L256-V331 HydrophobicContact CD1-CG1 3.94Å; L256-N332 PolarHBondContact N-O 2.74Å; L256-V333 HydrophobicContact CB-CG2 4.45Å; L256-V333 CarbonylContact O-C 3.59Å; L256-V333 VanDerWaalsContact O-CA 3.24Å; L256-V333 WeakPolarHBondContact O-CA 3.41Å; L256-L334 PolarHBondContact O-N 3.3Å |
| 257 | A | 73 | Confident | 83.7 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | trans | -87.6 | 157.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N259 E260 V306 L334 S365 P366 | A257-N259 PolarHBondContact O-N 2.9Å; A257-E260 HydrophobicContact CB-CB 4.31Å; A257-E260 PolarHBondContact N-OE2 2.85Å; A257-E260 WeakPolarHBondContact O-CB 3.44Å; A257-E260 PolarHBondContact O-N 2.84Å; A257-V306 WeakPolarHBondContact O-CG2 3.48Å; A257-L334 WeakPolarHBondContact CA-O 3.37Å; A257-S365 PolarHBondContact N-OG 2.9Å; A257-P366 HydrophobicContact CB-CB 3.99Å; A257-P366 HydrophobicContact CB-CG 3.63Å | ||
| 258 | P | 81.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 36% | 0.357 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 130.2 | 170 | -27.1 | 34.9 | 0 | 0 | 0 | 112.2 | E260 V306 V333 L334 | P258-E260 VanDerWaalsContact C-N 3.28Å; P258-V306 CarbonylContact C-O 3.5Å; P258-V306 WeakPolarHBondContact CA-O 3.43Å; P258-V333 HydrophobicContact CG-CG1 4.28Å; P258-L334 VanDerWaalsContact CD-O 3.31Å; P258-L334 WeakPolarHBondContact CD-O 3.41Å |
| 259 | N | 79.4 | Confident | 84.1 | Confident | 100 Ų | 100 | 49.1 Ų | 49.1 | 54% | 0.535 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 6.4 | -174.3 | -35.6 | -79.9 | 0 | 0 | 0 | 115.7 | A257 N305 V306 Q307 | A257-N259 PolarHBondContact O-N 2.9Å; N259-N305 WeakPolarHBondContact CB-OD1 3.45Å; N259-N305 PolarHBondContact OD1-OD1 3.35Å; N259-V306 PolarHBondContact N-O 3.3Å; N259-Q307 PolarHBondContact OD1-NE2 2.86Å |
| 260 | E | 78.5 | Confident | 84.4 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | trans | -72.3 | 171.6 | 171.7 | -164.6 | 157.9 | -141.6 | 0 | 0 | 111.6 | L256 A257 P258 N305 V306 | L256-E260 WeakPolarHBondContact CA-OE2 3.39Å; L256-E260 HydrophobicContact CB-CB 4.47Å; L256-E260 HydrophobicContact CD2-CG 4.41Å; A257-E260 HydrophobicContact CB-CB 4.31Å; A257-E260 PolarHBondContact N-OE2 2.85Å; A257-E260 WeakPolarHBondContact O-CB 3.44Å; A257-E260 PolarHBondContact O-N 2.84Å; P258-E260 VanDerWaalsContact C-N 3.28Å; E260-N305 PolarHBondContact O-N 2.93Å; E260-N305 VanDerWaalsContact O-N 3.11Å; E260-V306 PolarHBondContact O-N 3.26Å | ||
| 261 | T | 83.5 | Confident | 84.6 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | trans | -123 | 122.4 | 173.6 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | I302 L303 | T261-I302 HydrophobicContact CG2-CG2 3.98Å; T261-L303 CarbonylContact C-O 3.59Å; T261-L303 WeakPolarHBondContact CA-O 3.33Å | ||
| 262 | G | 83.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 158 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L303 | G262-L303 PolarHBondContact N-O 2.78Å; G262-L303 PolarHBondContact O-N 2.76Å |
| 263 | I | 89.4 | Confident | 85 | Confident | 91 Ų | 91 | 50.6 Ų | 50.6 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.1 | 177 | -53.4 | -179 | 0 | 0 | 0 | 109.7 | V301 I302 | I263-V301 WeakPolarHBondContact CA-O 3.42Å; I263-I302 HydrophobicContact CG1-CG1 4.28Å; I263-I302 HydrophobicContact CG1-CG2 4.4Å; I263-I302 HydrophobicContact CG2-CG1 4.29Å |
| 264 | L | 89.3 | Confident | 85.3 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.6 | 172.7 | -63.7 | 171.9 | 0 | 0 | 0 | 109.7 | R252 L254 W278 T300 V301 L303 F314 A329 V331 | R252-L264 WeakPolarHBondContact O-CD2 3.47Å; L254-L264 HydrophobicContact CD1-CD2 3.54Å; L254-L264 HydrophobicContact CD1-CG 3.84Å; L254-L264 HydrophobicContact CG-CD2 3.77Å; L264-W278 HydrophobicContact CB-CH2 3.92Å; L264-W278 HydrophobicContact CB-CZ3 4.38Å; L264-W278 HydrophobicContact CD1-CZ3 4.47Å; L264-T300 CarbonylContact O-C 3.53Å; L264-T300 WeakPolarHBondContact O-CA 3.48Å; L264-V301 HydrophobicContact CB-CB 4.37Å; L264-V301 PolarHBondContact N-O 3.47Å; L264-V301 PolarHBondContact O-N 3.39Å; L264-L303 HydrophobicContact CD1-CD1 4.07Å; L264-L303 HydrophobicContact CG-CD1 4.24Å; L264-F314 HydrophobicContact CD1-CB 3.44Å; L264-F314 VanDerWaalsContact CD1-CB 3.44Å; L264-F314 HydrophobicContact CD1-CD1 3.71Å; L264-F314 HydrophobicContact CD1-CD2 3.96Å; L264-F314 HydrophobicContact CD1-CG 3.41Å; L264-F314 VanDerWaalsContact CD1-CG 3.41Å; L264-A329 HydrophobicContact CD2-CB 3.92Å; L264-V331 HydrophobicContact CD1-CG2 4.02Å; L264-V331 HydrophobicContact CD2-CG2 4.32Å |
| 265 | T | 90.3 | Very high | 85.8 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.5 | -176.1 | -30.8 | 0 | 0 | 0 | 0 | 110.7 | A250 P251 R267 T300 | A250-T265 CarbonylContact C-O 3.57Å; P251-T265 WeakPolarHBondContact CA-O 3.34Å; T265-R267 HydrophobicContact CG2-CG 4.05Å; T265-T300 HydrophobicContact CG2-CG2 3.89Å |
| 266 | C | 90.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -128 | 66 | -176.9 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | S249 V268 W278 D299 C316 | S249-C266 CarbonylContact O-C 3.6Å; C266-V268 PolarHBondContact O-N 2.95Å; C266-W278 HydrophobicContact CB-CH2 3.76Å; C266-W278 HydrophobicContact CB-CZ2 3.37Å; C266-D299 WeakPolarHBondContact CA-O 3.04Å; C266-D299 WeakPolarHBondContact CB-O 3.37Å; C266-D299 PolarHBondContact N-O 2.89Å; C266-C316 HydrophobicContact CB-CB 3.74Å; C266-C316 WeakPolarHBondContact CB-SG 3.47Å; C266-C316 WeakPolarHBondContact SG-CB 3.5Å; C266-C316 CovalentContact SG-SG 2.01Å; C266-C316 PolarHBondContact SG-SG 2.88Å | ||
| 267 | R | 90.6 | Very high | 87 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 38% | 0.381 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 118 | 179.9 | -67.1 | -166.5 | -85.5 | -160.9 | 1.3 | 109.7 | I248 S249 T265 D299 E1112 | I248-R267 WeakPolarHBondContact CA-O 3.39Å; I248-R267 HydrophobicContact CB-CB 3.83Å; I248-R267 WeakPolarHBondContact CB-O 3.32Å; I248-R267 HydrophobicContact CG2-CB 4.08Å; I248-R267 PolarHBondContact N-O 2.95Å; S249-R267 PolarHBondContact N-O 3.47Å; S249-R267 PolarHBondContact O-N 2.93Å; T265-R267 HydrophobicContact CG2-CG 4.05Å; R267-D299 VanDerWaalsContact CG-OD2 3.24Å; R267-D299 WeakPolarHBondContact CG-OD2 3.19Å; R267-E1112 IonicContact CZ-OE1 2.66Å; R267-E1112 VanDerWaalsContact CZ-OE1 3.3Å; R267-E1112 IonicContact NH1-OE1 3.63Å; R267-E1112 PolarHBondContact NH1-OE1 3.04Å; R267-E1112 IonicContact NH2-OE1 2.61Å; R267-E1112 PolarHBondContact NH2-OE1 2.91Å |
| 268 | V | 89.9 | Confident | 87.8 | Confident | 20 Ų | 20 | 52.9 Ų | 52.9 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.6 | -179 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | F246 W247 C266 P274 I276 A318 L325 | F246-V268 WeakPolarHBondContact O-CA 3.34Å; W247-V268 HydrophobicContact CD2-CG1 4.45Å; W247-V268 HydrophobicContact CE3-CG1 3.46Å; W247-V268 VanDerWaalsContact CE3-CG1 3.46Å; W247-V268 HydrophobicContact CH2-CG1 4.34Å; W247-V268 HydrophobicContact CZ3-CG1 3.39Å; C266-V268 PolarHBondContact O-N 2.95Å; V268-P274 HydrophobicContact CG2-CB 4.38Å; V268-I276 HydrophobicContact CG2-CD1 3.68Å; V268-I276 HydrophobicContact CG2-CG1 3.65Å; V268-A318 HydrophobicContact CB-CB 4.12Å; V268-A318 HydrophobicContact CG1-CB 3.91Å; V268-A318 HydrophobicContact CG2-CB 3.76Å; V268-L325 HydrophobicContact CG1-CD2 4.09Å |
| 269 | N | 89.3 | Confident | 88.1 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 167.7 | 175.9 | -159.6 | 0.3 | 0 | 0 | 0 | 111.1 | P245 F246 I248 P274 | P245-N269 CarbonylContact C-O 3.25Å; P245-N269 WeakPolarHBondContact CA-O 3.38Å; F246-N269 HydrophobicContact CD2-CB 4.36Å; F246-N269 HydrophobicContact CE1-CB 4.14Å; F246-N269 HydrophobicContact CE2-CB 3.8Å; F246-N269 HydrophobicContact CZ-CB 3.68Å; F246-N269 PolarHBondContact N-O 2.84Å; F246-N269 PolarHBondContact O-N 3.31Å; I248-N269 HydrophobicContact CD1-CB 3.95Å; I248-N269 HydrophobicContact CG1-CB 4.13Å; N269-P274 WeakPolarHBondContact O-CG 3.3Å |
| 270 | G | 89 | Confident | 88.5 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.4 | 163.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P272 K273 | G270-P272 CarbonylContact C-O 3.59Å; G270-P272 CarbonylContact O-C 3.55Å; G270-K273 PolarHBondContact O-N 2.9Å |
| 271 | N | 86.4 | Confident | 88.7 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 32% | 0.321 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 102.6 | 179.9 | 177.8 | -7.2 | 0 | 0 | 0 | 108.3 | V241 K242 A243 | V241-N271 PolarHBondContact O-ND2 3.29Å; K242-N271 HydrophobicContact CD-CB 4.45Å; K242-N271 WeakPolarHBondContact CD-O 3.26Å; K242-N271 WeakPolarHBondContact CD-OD1 3.36Å; K242-N271 PolarHBondContact NZ-OD1 3.35Å; A243-N271 HydrophobicContact CB-CB 4.35Å; A243-N271 PolarHBondContact N-O 3.09Å; A243-N271 VanDerWaalsContact N-O 3.09Å; A243-N271 CarbonylContact O-C 3.41Å; A243-N271 PolarHBondContact O-N 3.48Å |
| 272 | P | 91.6 | Very high | 88.3 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 31% | 0.305 | 23% | 0.23 | S | C | . | . | S | Bend | cis | -66.2 | 161.6 | 3.5 | -20.6 | 33.5 | 0 | 0 | 0 | 115.8 | G270 N320 E321 | G270-P272 CarbonylContact C-O 3.59Å; G270-P272 CarbonylContact O-C 3.55Å; P272-N320 PolarHBondContact O-ND2 2.8Å; P272-E321 WeakPolarHBondContact CD-OE1 3.35Å; P272-E321 HydrophobicContact CG-CG 4.27Å; P272-E321 WeakPolarHBondContact CG-OE1 3.45Å |
| 273 | K | 89.1 | Confident | 88.2 | Confident | 149 Ų | 149 | 52.8 Ų | 52.8 | 65% | 0.648 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 125.8 | 176.5 | -175.3 | -173.1 | 173.1 | -169.6 | 0 | 109.4 | G270 E298 | G270-K273 PolarHBondContact O-N 2.9Å; K273-E298 IonicContact NZ-OE2 3.75Å; K273-E298 PolarHBondContact NZ-OE2 2.9Å |
| 274 | P | 90.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 5% | 0.045 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 146.3 | 178.3 | -20.7 | 32.5 | 0 | 0 | 0 | 112.6 | P245 V268 N269 A318 S319 | P245-P274 HydrophobicContact CB-CB 3.87Å; P245-P274 HydrophobicContact CB-CG 3.58Å; P245-P274 HydrophobicContact CG-CB 3.84Å; P245-P274 HydrophobicContact CG-CG 3.8Å; V268-P274 HydrophobicContact CG2-CB 4.38Å; N269-P274 WeakPolarHBondContact O-CG 3.3Å; P274-A318 HydrophobicContact CB-CB 4.05Å; P274-S319 WeakPolarHBondContact CA-O 3.38Å |
| 275 | K | 91.4 | Very high | 88 | Confident | 135 Ų | 135 | 50.7 Ų | 50.7 | 59% | 0.587 | 25% | 0.25 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 122.9 | 164.3 | -172.2 | -164.5 | 178.8 | -148.8 | 0 | 109.3 | N277 A318 S319 | K275-N277 VanDerWaalsContact CE-OD1 3.29Å; K275-N277 WeakPolarHBondContact CE-OD1 2.9Å; K275-N277 PolarHBondContact NZ-OD1 3.37Å; K275-N277 PolarHBondContact O-ND2 2.76Å; K275-A318 WeakPolarHBondContact O-CA 3.33Å; K275-S319 PolarHBondContact N-O 2.81Å; K275-S319 PolarHBondContact O-N 2.88Å |
| 276 | I | 91.6 | Very high | 87.6 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 18% | 0.179 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 140 | 172.9 | -60.9 | 170.6 | 0 | 0 | 0 | 109.9 | V268 D299 N317 A318 | V268-I276 HydrophobicContact CG2-CD1 3.68Å; V268-I276 HydrophobicContact CG2-CG1 3.65Å; I276-D299 HydrophobicContact CD1-CB 3.51Å; I276-N317 CarbonylContact C-O 3.47Å; I276-A318 HydrophobicContact CG1-CB 4.46Å |
| 277 | N | 89.4 | Confident | 87.3 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 134.2 | 170.1 | -44.4 | -98.2 | 0 | 0 | 0 | 108 | K275 F279 N317 | K275-N277 VanDerWaalsContact CE-OD1 3.29Å; K275-N277 WeakPolarHBondContact CE-OD1 2.9Å; K275-N277 PolarHBondContact NZ-OD1 3.37Å; K275-N277 PolarHBondContact O-ND2 2.76Å; N277-F279 HydrophobicContact CB-CE2 4.06Å; N277-N317 PolarHBondContact N-O 2.88Å; N277-N317 PolarHBondContact ND2-O 3.11Å; N277-N317 PolarHBondContact O-N 2.74Å |
| 278 | W | 89.9 | Confident | 86.8 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 3% | 0.027 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 143.8 | -176.5 | -77 | 100.1 | 0 | 0 | 0 | 112.1 | P251 L264 C266 I285 D299 V301 Q315 C316 | P251-W278 HydrophobicContact CB-CH2 3.97Å; P251-W278 HydrophobicContact CB-CZ3 4.38Å; P251-W278 HydrophobicContact CG-CH2 4.26Å; P251-W278 HydrophobicContact CG-CZ3 4.4Å; L264-W278 HydrophobicContact CB-CH2 3.92Å; L264-W278 HydrophobicContact CB-CZ3 4.38Å; L264-W278 HydrophobicContact CD1-CZ3 4.47Å; C266-W278 HydrophobicContact CB-CH2 3.76Å; C266-W278 HydrophobicContact CB-CZ2 3.37Å; W278-I285 HydrophobicContact CB-CB 4.37Å; W278-I285 HydrophobicContact CB-CG2 3.74Å; W278-I285 WeakPolarHBondContact O-CG2 3.41Å; W278-I285 PolarHBondContact O-N 2.97Å; W278-D299 WeakPolarHBondContact CZ2-O 3.45Å; W278-V301 HydrophobicContact CB-CG2 4.38Å; W278-V301 HydrophobicContact CD2-CG2 3.47Å; W278-V301 VanDerWaalsContact CD2-CG2 3.47Å; W278-V301 HydrophobicContact CE3-CG2 3.9Å; W278-V301 HydrophobicContact CG-CG2 3.7Å; W278-V301 HydrophobicContact CH2-CG2 4.3Å; W278-V301 HydrophobicContact CZ2-CG2 3.93Å; W278-V301 HydrophobicContact CZ3-CG2 4.29Å; W278-Q315 WeakPolarHBondContact CA-O 3.33Å; W278-C316 HydrophobicContact CD2-CB 4.23Å; W278-C316 HydrophobicContact CE3-CB 3.91Å; W278-C316 HydrophobicContact CH2-CB 3.97Å; W278-C316 HydrophobicContact CZ2-CB 4.24Å; W278-C316 HydrophobicContact CZ3-CB 3.78Å |
| 279 | F | 87.3 | Confident | 86.2 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 149.8 | -180 | -63.1 | -107.1 | 0 | 0 | 0 | 110.1 | N277 R283 P284 F314 Q315 N317 | N277-F279 HydrophobicContact CB-CE2 4.06Å; F279-R283 CarbonylContact C-O 3.52Å; F279-R283 WeakPolarHBondContact CA-O 3.46Å; F279-R283 VanDerWaalsContact CB-O 3.31Å; F279-R283 WeakPolarHBondContact CB-O 3.09Å; F279-R283 VanDerWaalsContact CD1-C 3.48Å; F279-P284 HydrophobicContact CD1-CG 4.3Å; F279-P284 HydrophobicContact CE1-CG 3.95Å; F279-F314 CarbonylContact O-C 3.52Å; F279-F314 WeakPolarHBondContact O-CA 3.36Å; F279-Q315 HydrophobicContact CB-CB 4.14Å; F279-Q315 HydrophobicContact CB-CG 4.38Å; F279-Q315 PolarHBondContact N-O 3.39Å; F279-Q315 PolarHBondContact O-N 3.15Å; F279-N317 HydrophobicContact CD2-CB 4.24Å; F279-N317 HydrophobicContact CE2-CB 3.84Å |
| 280 | V | 87.3 | Confident | 84.9 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.8 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 108 | G282 R283 I285 Y289 A312 V313 F314 | V280-G282 PolarHBondContact O-N 3.33Å; V280-R283 PolarHBondContact N-O 2.87Å; V280-R283 PolarHBondContact O-N 3.16Å; V280-I285 HydrophobicContact CG2-CB 4.03Å; V280-I285 HydrophobicContact CG2-CD1 3.74Å; V280-I285 HydrophobicContact CG2-CG1 3.68Å; V280-Y289 HydrophobicContact CG1-CE2 4.5Å; V280-Y289 HydrophobicContact CG2-CE2 4.29Å; V280-A312 HydrophobicContact CG1-CB 3.98Å; V280-V313 WeakPolarHBondContact CA-O 3.39Å; V280-F314 HydrophobicContact CG1-CZ 4.38Å; V280-F314 HydrophobicContact CG2-CD1 3.58Å; V280-F314 HydrophobicContact CG2-CE1 3.39Å; V280-F314 HydrophobicContact CG2-CG 4.26Å; V280-F314 HydrophobicContact CG2-CZ 3.94Å |
| 281 | N | 83 | Confident | 83.5 | Confident | 51 Ų | 51 | 74.7 Ų | 74.7 | 27% | 0.273 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 44.9 | -178.2 | -69.9 | -20.5 | 0 | 0 | 0 | 113.2 | H32 G33 K34 R283 V313 | H32-N281 PolarHBondContact O-ND2 3.4Å; G33-N281 VanDerWaalsContact CA-CG 3.43Å; G33-N281 VanDerWaalsContact CA-OD1 3.25Å; G33-N281 WeakPolarHBondContact CA-OD1 3.31Å; K34-N281 CarbonylContact O-C 3.54Å; K34-N281 VanDerWaalsContact O-CA 3.23Å; K34-N281 WeakPolarHBondContact O-CA 3.45Å; N281-R283 VanDerWaalsContact C-N 3.33Å; N281-R283 PolarHBondContact O-N 2.85Å; N281-V313 PolarHBondContact N-O 3.41Å; N281-V313 PolarHBondContact OD1-N 2.88Å |
| 282 | G | 75.8 | Confident | 82.5 | Confident | 23 Ų | 23 | 79.8 Ų | 79.8 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | 8.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K34 V280 Q315 | K34-G282 PolarHBondContact O-N 2.89Å; K34-G282 VanDerWaalsContact O-N 3.11Å; V280-G282 PolarHBondContact O-N 3.33Å; G282-Q315 VanDerWaalsContact CA-OE1 3.28Å |
| 283 | R | 82.1 | Confident | 81.6 | Confident | 166 Ų | 166 | 79.2 Ų | 79.2 | 63% | 0.626 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.8 | 174.8 | -62.5 | -173.9 | -180 | -152.5 | 0.3 | 110.9 | F279 V280 N281 I285 V288 | F279-R283 CarbonylContact C-O 3.52Å; F279-R283 WeakPolarHBondContact CA-O 3.46Å; F279-R283 VanDerWaalsContact CB-O 3.31Å; F279-R283 WeakPolarHBondContact CB-O 3.09Å; F279-R283 VanDerWaalsContact CD1-C 3.48Å; V280-R283 PolarHBondContact N-O 2.87Å; V280-R283 PolarHBondContact O-N 3.16Å; N281-R283 VanDerWaalsContact C-N 3.33Å; N281-R283 PolarHBondContact O-N 2.85Å; R283-I285 PolarHBondContact O-N 3.07Å; R283-V288 HydrophobicContact CB-CG2 3.82Å |
| 284 | P | 86 | Confident | 81.3 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 29% | 0.292 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 135.7 | 170.8 | -24.6 | 34.4 | 0 | 0 | 0 | 110.6 | F279 Q286 D287 | F279-P284 HydrophobicContact CD1-CG 4.3Å; F279-P284 HydrophobicContact CE1-CG 3.95Å; P284-Q286 PolarHBondContact O-N 2.91Å; P284-D287 HydrophobicContact CB-CB 4.41Å; P284-D287 WeakPolarHBondContact CD-OD2 3.23Å; P284-D287 VanDerWaalsContact CG-OD2 3.3Å; P284-D287 WeakPolarHBondContact CG-OD2 3.31Å; P284-D287 WeakPolarHBondContact O-CB 3.3Å; P284-D287 PolarHBondContact O-N 3.34Å |
| 285 | I | 86.7 | Confident | 81 | Confident | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.015 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -61.4 | -30.2 | -173.9 | -172.4 | 165.9 | 0 | 0 | 0 | 112.7 | W278 V280 R283 D287 V288 Y289 P294 I296 V301 F314 | W278-I285 HydrophobicContact CB-CB 4.37Å; W278-I285 HydrophobicContact CB-CG2 3.74Å; W278-I285 WeakPolarHBondContact O-CG2 3.41Å; W278-I285 PolarHBondContact O-N 2.97Å; V280-I285 HydrophobicContact CG2-CB 4.03Å; V280-I285 HydrophobicContact CG2-CD1 3.74Å; V280-I285 HydrophobicContact CG2-CG1 3.68Å; R283-I285 PolarHBondContact O-N 3.07Å; I285-D287 VanDerWaalsContact C-N 3.3Å; I285-D287 PolarHBondContact O-N 2.83Å; I285-V288 PolarHBondContact O-N 3.35Å; I285-Y289 HydrophobicContact CG1-CD2 4.07Å; I285-Y289 HydrophobicContact CG1-CE2 4.41Å; I285-Y289 PolarHBondContact O-N 2.82Å; I285-P294 HydrophobicContact CD1-CB 4.15Å; I285-P294 HydrophobicContact CD1-CG 4.19Å; I285-I296 HydrophobicContact CB-CD1 4.48Å; I285-I296 HydrophobicContact CD1-CD1 4.2Å; I285-I296 HydrophobicContact CD1-CG1 4.36Å; I285-I296 HydrophobicContact CG1-CD1 4.34Å; I285-I296 HydrophobicContact CG2-CD1 3.38Å; I285-I296 HydrophobicContact CG2-CG1 4.46Å; I285-V301 HydrophobicContact CD1-CG1 4.07Å; I285-V301 HydrophobicContact CD1-CG2 4.42Å; I285-F314 HydrophobicContact CD1-CD1 4.39Å; I285-F314 HydrophobicContact CD1-CE1 3.99Å |
| 286 | Q | 83.1 | Confident | 80.7 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -68.5 | -25 | 174.7 | -62.6 | 79.8 | 9.1 | 0 | 0 | 113.3 | P284 V288 | P284-Q286 PolarHBondContact O-N 2.91Å; Q286-V288 PolarHBondContact O-N 2.77Å |
| 287 | D | 82.9 | Confident | 80.3 | Confident | 119 Ų | 119 | 78 Ų | 78 | 64% | 0.636 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -83.1 | -2.1 | 177.2 | -60 | -7.5 | 0 | 0 | 0 | 112.1 | P284 I285 | P284-D287 HydrophobicContact CB-CB 4.41Å; P284-D287 WeakPolarHBondContact CD-OD2 3.23Å; P284-D287 VanDerWaalsContact CG-OD2 3.3Å; P284-D287 WeakPolarHBondContact CG-OD2 3.31Å; P284-D287 WeakPolarHBondContact O-CB 3.3Å; P284-D287 PolarHBondContact O-N 3.34Å; I285-D287 VanDerWaalsContact C-N 3.3Å; I285-D287 PolarHBondContact O-N 2.83Å |
| 288 | V | 80.1 | Confident | 79.8 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -29.8 | -175.2 | -177 | 0 | 0 | 0 | 0 | 112.1 | R283 I285 Q286 | R283-V288 HydrophobicContact CB-CG2 3.82Å; I285-V288 PolarHBondContact O-N 3.35Å; Q286-V288 PolarHBondContact O-N 2.77Å |
| 289 | Y | 78.2 | Confident | 79.6 | Confident | 81 Ų | 81 | 84.6 Ų | 84.6 | 32% | 0.318 | 42% | 0.422 | S | S | . | . | trans | -135.9 | 121.8 | -179 | -53 | -85.1 | 0 | 0 | 0 | 112.1 | V280 I285 P294 | V280-Y289 HydrophobicContact CG1-CE2 4.5Å; V280-Y289 HydrophobicContact CG2-CE2 4.29Å; I285-Y289 HydrophobicContact CG1-CD2 4.07Å; I285-Y289 HydrophobicContact CG1-CE2 4.41Å; I285-Y289 PolarHBondContact O-N 2.82Å; Y289-P294 VanDerWaalsContact CD2-CD 3.44Å; Y289-P294 HydrophobicContact CD2-CG 4.16Å; Y289-P294 HydrophobicContact CE2-CG 3.96Å | ||
| 290 | E | 61 | Low | 79.7 | Confident | 196 Ų | 196 | 84 Ų | 84 | 92% | 0.916 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -88 | -52.3 | -173.2 | -62 | 178.7 | 149.5 | 0 | 0 | 113.5 | ||
| 291 | E | 60 | Low | 79.8 | Confident | 182 Ų | 182 | 83.8 Ų | 83.8 | 85% | 0.85 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -133.7 | -34.9 | -178.7 | -68.2 | -169 | 143.3 | 0 | 0 | 115.1 | ||
| 292 | N | 64.6 | Low | 80.2 | Confident | 167 Ų | 167 | 83 Ų | 83 | 89% | 0.893 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -102.4 | 37.9 | -178.1 | -66.5 | -71.9 | 0 | 0 | 0 | 112.4 | ||
| 293 | G | 73.6 | Confident | 80.8 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 36% | 0.361 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -91.6 | -176.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K295 | G293-K295 PolarHBondContact O-N 2.87Š|
| 294 | P | 82.6 | Confident | 80.9 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | trans | -58.1 | 132.7 | 164.3 | -19.4 | 33 | 0 | 0 | 0 | 110.5 | I285 Y289 V301 I302 L303 F314 | I285-P294 HydrophobicContact CD1-CB 4.15Å; I285-P294 HydrophobicContact CD1-CG 4.19Å; Y289-P294 VanDerWaalsContact CD2-CD 3.44Å; Y289-P294 HydrophobicContact CD2-CG 4.16Å; Y289-P294 HydrophobicContact CE2-CG 3.96Å; P294-V301 HydrophobicContact CB-CG1 3.48Å; P294-V301 VanDerWaalsContact CB-CG1 3.48Å; P294-I302 CarbonylContact C-O 3.59Å; P294-I302 VanDerWaalsContact CA-O 3.25Å; P294-I302 WeakPolarHBondContact CA-O 3.25Å; P294-L303 HydrophobicContact CB-CD2 3.64Å; P294-L303 HydrophobicContact CG-CD2 3.57Å; P294-F314 HydrophobicContact CG-CE1 4.18Å; P294-F314 HydrophobicContact CG-CZ 4.3Å | ||
| 295 | K | 85.2 | Confident | 80.5 | Confident | 129 Ų | 129 | 80.9 Ų | 80.9 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 137.9 | 177.1 | -169.9 | -169.5 | -178.7 | -160.8 | 0 | 109.3 | G293 E297 V301 I302 | G293-K295 PolarHBondContact O-N 2.87Å; K295-E297 WeakPolarHBondContact CD-OE1 3.45Å; K295-E297 WeakPolarHBondContact CE-OE1 3.09Å; K295-E297 IonicContact NZ-OE1 2.83Å; K295-E297 PolarHBondContact NZ-OE1 2.99Å; K295-V301 CarbonylContact O-C 3.57Å; K295-V301 WeakPolarHBondContact O-CA 3.46Å; K295-I302 HydrophobicContact CB-CB 4.32Å; K295-I302 PolarHBondContact N-O 2.84Å; K295-I302 PolarHBondContact O-N 2.92Å |
| 296 | I | 83.9 | Confident | 80.2 | Confident | 62 Ų | 62 | 81 Ų | 81 | 32% | 0.318 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 128.5 | -175.3 | -49.3 | 163.3 | 0 | 0 | 0 | 109 | I285 T300 V301 | I285-I296 HydrophobicContact CB-CD1 4.48Å; I285-I296 HydrophobicContact CD1-CD1 4.2Å; I285-I296 HydrophobicContact CD1-CG1 4.36Å; I285-I296 HydrophobicContact CG1-CD1 4.34Å; I285-I296 HydrophobicContact CG2-CD1 3.38Å; I285-I296 HydrophobicContact CG2-CG1 4.46Å; I296-T300 WeakPolarHBondContact CA-O 3.41Å; I296-V301 HydrophobicContact CG1-CG2 4.36Å; I296-V301 HydrophobicContact CG2-CG2 4.42Å |
| 297 | E | 84.4 | Confident | 80.1 | Confident | 88 Ų | 88 | 79.3 Ų | 79.3 | 41% | 0.411 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 97.9 | 179.1 | -57.2 | -177.2 | -165 | 0 | 0 | 108.9 | K295 D299 T300 | K295-E297 WeakPolarHBondContact CD-OE1 3.45Å; K295-E297 WeakPolarHBondContact CE-OE1 3.09Å; K295-E297 IonicContact NZ-OE1 2.83Å; K295-E297 PolarHBondContact NZ-OE1 2.99Å; E297-D299 PolarHBondContact O-N 3.37Å; E297-T300 PolarHBondContact N-O 2.95Å; E297-T300 PolarHBondContact O-N 2.98Å; E297-T300 PolarHBondContact O-OG1 3Å; E297-T300 VanDerWaalsContact O-OG1 3.1Å |
| 298 | E | 77.3 | Confident | 79.5 | Confident | 143 Ų | 143 | 77.9 Ų | 77.9 | 67% | 0.668 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.3 | -81.8 | -167.4 | -74.9 | -153.7 | 178.3 | 0 | 0 | 115.8 | K273 | K273-E298 IonicContact NZ-OE2 3.75Å; K273-E298 PolarHBondContact NZ-OE2 2.9Å |
| 299 | D | 86.3 | Confident | 79.1 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 26% | 0.262 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.5 | -175.6 | 70.4 | -44.2 | 0 | 0 | 0 | 114.1 | C266 R267 I276 W278 E297 | C266-D299 WeakPolarHBondContact CA-O 3.04Å; C266-D299 WeakPolarHBondContact CB-O 3.37Å; C266-D299 PolarHBondContact N-O 2.89Å; R267-D299 VanDerWaalsContact CG-OD2 3.24Å; R267-D299 WeakPolarHBondContact CG-OD2 3.19Å; I276-D299 HydrophobicContact CD1-CB 3.51Å; W278-D299 WeakPolarHBondContact CZ2-O 3.45Å; E297-D299 PolarHBondContact O-N 3.37Å |
| 300 | T | 89.1 | Confident | 78.9 | Confident | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156 | -177.3 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | L264 T265 I296 E297 | L264-T300 CarbonylContact O-C 3.53Å; L264-T300 WeakPolarHBondContact O-CA 3.48Å; T265-T300 HydrophobicContact CG2-CG2 3.89Å; I296-T300 WeakPolarHBondContact CA-O 3.41Å; E297-T300 PolarHBondContact N-O 2.95Å; E297-T300 PolarHBondContact O-N 2.98Å; E297-T300 PolarHBondContact O-OG1 3Å; E297-T300 VanDerWaalsContact O-OG1 3.1Å |
| 301 | V | 90.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.3 | 170.9 | 178.9 | 0 | 0 | 0 | 0 | 109.7 | I263 L264 W278 I285 P294 K295 I296 L303 F314 | I263-V301 WeakPolarHBondContact CA-O 3.42Å; L264-V301 HydrophobicContact CB-CB 4.37Å; L264-V301 PolarHBondContact N-O 3.47Å; L264-V301 PolarHBondContact O-N 3.39Å; W278-V301 HydrophobicContact CB-CG2 4.38Å; W278-V301 HydrophobicContact CD2-CG2 3.47Å; W278-V301 VanDerWaalsContact CD2-CG2 3.47Å; W278-V301 HydrophobicContact CE3-CG2 3.9Å; W278-V301 HydrophobicContact CG-CG2 3.7Å; W278-V301 HydrophobicContact CH2-CG2 4.3Å; W278-V301 HydrophobicContact CZ2-CG2 3.93Å; W278-V301 HydrophobicContact CZ3-CG2 4.29Å; I285-V301 HydrophobicContact CD1-CG1 4.07Å; I285-V301 HydrophobicContact CD1-CG2 4.42Å; P294-V301 HydrophobicContact CB-CG1 3.48Å; P294-V301 VanDerWaalsContact CB-CG1 3.48Å; K295-V301 CarbonylContact O-C 3.57Å; K295-V301 WeakPolarHBondContact O-CA 3.46Å; I296-V301 HydrophobicContact CG1-CG2 4.36Å; I296-V301 HydrophobicContact CG2-CG2 4.42Å; V301-L303 HydrophobicContact CG1-CD2 4.43Å; V301-L303 HydrophobicContact CG1-CG 4.44Å; V301-F314 HydrophobicContact CG1-CD1 4.33Å; V301-F314 HydrophobicContact CG1-CE1 4.09Å |
| 302 | I | 90.1 | Very high | 81.1 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.3 | -178.4 | -56.8 | 167.7 | 0 | 0 | 0 | 109.2 | T261 I263 P294 K295 | T261-I302 HydrophobicContact CG2-CG2 3.98Å; I263-I302 HydrophobicContact CG1-CG1 4.28Å; I263-I302 HydrophobicContact CG1-CG2 4.4Å; I263-I302 HydrophobicContact CG2-CG1 4.29Å; P294-I302 CarbonylContact C-O 3.59Å; P294-I302 VanDerWaalsContact CA-O 3.25Å; P294-I302 WeakPolarHBondContact CA-O 3.25Å; K295-I302 HydrophobicContact CB-CB 4.32Å; K295-I302 PolarHBondContact N-O 2.84Å; K295-I302 PolarHBondContact O-N 2.92Å |
| 303 | L | 88.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.063 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 87.3 | -170.4 | -66.8 | 162.7 | 0 | 0 | 0 | 109.8 | L254 T261 G262 L264 P294 V301 V306 F314 V331 | L254-L303 HydrophobicContact CD1-CD1 4.22Å; T261-L303 CarbonylContact C-O 3.59Å; T261-L303 WeakPolarHBondContact CA-O 3.33Å; G262-L303 PolarHBondContact N-O 2.78Å; G262-L303 PolarHBondContact O-N 2.76Å; L264-L303 HydrophobicContact CD1-CD1 4.07Å; L264-L303 HydrophobicContact CG-CD1 4.24Å; P294-L303 HydrophobicContact CB-CD2 3.64Å; P294-L303 HydrophobicContact CG-CD2 3.57Å; V301-L303 HydrophobicContact CG1-CD2 4.43Å; V301-L303 HydrophobicContact CG1-CG 4.44Å; L303-V306 HydrophobicContact CB-CG1 3.95Å; L303-V306 WeakPolarHBondContact O-CG1 3.46Å; L303-F314 HydrophobicContact CD1-CE2 4.29Å; L303-F314 HydrophobicContact CD1-CZ 4.24Å; L303-F314 HydrophobicContact CD2-CE1 3.8Å; L303-F314 HydrophobicContact CD2-CE2 4.12Å; L303-F314 HydrophobicContact CD2-CZ 3.37Å; L303-F314 HydrophobicContact CG-CZ 4.41Å; L303-V331 HydrophobicContact CD1-CG1 4.19Å; L303-V331 HydrophobicContact CD1-CG2 3.81Å |
| 304 | S | 84.3 | Confident | 82.8 | Confident | 82 Ų | 82 | 52.1 Ų | 52.1 | 57% | 0.573 | 30% | 0.303 | S | S | * | . | trans | -87.5 | 145.8 | -177.5 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | V306 | S304-V306 VanDerWaalsContact C-N 3.33Å; S304-V306 PolarHBondContact O-N 3.11Å | ||
| 305 | N | 77.9 | Confident | 83.1 | Confident | 97 Ų | 97 | 51.1 Ų | 51.1 | 52% | 0.519 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 57 | 39.6 | 171.1 | -167.8 | 51.8 | 0 | 0 | 0 | 114.2 | N259 E260 Q307 | N259-N305 WeakPolarHBondContact CB-OD1 3.45Å; N259-N305 PolarHBondContact OD1-OD1 3.35Å; E260-N305 PolarHBondContact O-N 2.93Å; E260-N305 VanDerWaalsContact O-N 3.11Å; N305-Q307 PolarHBondContact O-NE2 3.19Å |
| 306 | V | 80.3 | Confident | 83.3 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.036 | 27% | 0.27 | C | S | . | . | trans | -62 | 148 | -171.7 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | L256 A257 P258 N259 E260 L303 S304 V333 | L256-V306 HydrophobicContact CB-CG2 3.82Å; L256-V306 HydrophobicContact CD1-CG1 4Å; L256-V306 HydrophobicContact CD1-CG2 3.94Å; A257-V306 WeakPolarHBondContact O-CG2 3.48Å; P258-V306 CarbonylContact C-O 3.5Å; P258-V306 WeakPolarHBondContact CA-O 3.43Å; N259-V306 PolarHBondContact N-O 3.3Å; E260-V306 PolarHBondContact O-N 3.26Å; L303-V306 HydrophobicContact CB-CG1 3.95Å; L303-V306 WeakPolarHBondContact O-CG1 3.46Å; S304-V306 VanDerWaalsContact C-N 3.33Å; S304-V306 PolarHBondContact O-N 3.11Å; V306-V333 HydrophobicContact CB-CG2 4.06Å; V306-V333 HydrophobicContact CG2-CG1 3.99Å; V306-V333 HydrophobicContact CG2-CG2 3.89Å | ||
| 307 | Q | 80.7 | Confident | 83.6 | Confident | 79 Ų | 79 | 43.5 Ų | 43.5 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | trans | -120.1 | 168.4 | 177.8 | -55.6 | -59.6 | -46.8 | 0 | 0 | 109.7 | N259 N305 G309 S310 V333 | N259-Q307 PolarHBondContact OD1-NE2 2.86Å; N305-Q307 PolarHBondContact O-NE2 3.19Å; Q307-G309 PolarHBondContact O-N 2.8Å; Q307-G309 VanDerWaalsContact O-N 3.16Å; Q307-S310 PolarHBondContact N-OG 3.34Å; Q307-S310 WeakPolarHBondContact O-CA 3.23Å; Q307-S310 WeakPolarHBondContact O-CB 3.39Å; Q307-S310 PolarHBondContact O-N 3.19Å; Q307-S310 PolarHBondContact O-OG 2.81Å; Q307-V333 WeakPolarHBondContact O-CB 3.5Å; Q307-V333 WeakPolarHBondContact O-CG1 3.32Å; Q307-V333 WeakPolarHBondContact O-CG2 3.44Å | ||
| 308 | S | 70.2 | Confident | 83.8 | Confident | 90 Ų | 90 | 39.3 Ų | 39.3 | 63% | 0.629 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -53.5 | -38.7 | 179.4 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | S310 S311 | S308-S310 VanDerWaalsContact C-N 3.26Å; S308-S310 PolarHBondContact O-N 3.05Å; S308-S311 PolarHBondContact O-OG 2.66Å |
| 309 | G | 71.8 | Confident | 84.4 | Confident | 77 Ų | 77 | 34.4 Ų | 34.4 | 79% | 0.794 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -75.3 | 0.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q307 S311 | Q307-G309 PolarHBondContact O-N 2.8Å; Q307-G309 VanDerWaalsContact O-N 3.16Å; G309-S311 VanDerWaalsContact C-N 3.31Å |
| 310 | S | 75.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 33.5 Ų | 33.5 | 30% | 0.301 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -85.6 | -2.8 | 172.8 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | Q307 S308 A312 | Q307-S310 PolarHBondContact N-OG 3.34Å; Q307-S310 WeakPolarHBondContact O-CA 3.23Å; Q307-S310 WeakPolarHBondContact O-CB 3.39Å; Q307-S310 PolarHBondContact O-N 3.19Å; Q307-S310 PolarHBondContact O-OG 2.81Å; S308-S310 VanDerWaalsContact C-N 3.26Å; S308-S310 PolarHBondContact O-N 3.05Å; S310-A312 PolarHBondContact O-N 2.87Å |
| 311 | S | 82.6 | Confident | 84.2 | Confident | 35 Ų | 35 | 38.8 Ų | 38.8 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | trans | -64.5 | 121.9 | 177.6 | -53 | 0 | 0 | 0 | 0 | 110.8 | S308 G309 V331 V333 | S308-S311 PolarHBondContact O-OG 2.66Å; G309-S311 VanDerWaalsContact C-N 3.31Å; S311-V331 CarbonylContact C-O 3.58Å; S311-V331 WeakPolarHBondContact CA-O 3.21Å; S311-V333 PolarHBondContact OG-N 3Å | ||
| 312 | A | 84.6 | Confident | 83.8 | Confident | 10 Ų | 10 | 41.9 Ų | 41.9 | 8% | 0.083 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 164.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V280 S310 F314 V331 | V280-A312 HydrophobicContact CG1-CB 3.98Å; S310-A312 PolarHBondContact O-N 2.87Å; A312-F314 HydrophobicContact CB-CD2 4.46Å; A312-F314 HydrophobicContact CB-CE2 4.02Å; A312-V331 PolarHBondContact N-O 2.01Å; A312-V331 PolarHBondContact O-N 3.03Å |
| 313 | V | 85.3 | Confident | 83.3 | Confident | 12 Ų | 12 | 41.6 Ų | 41.6 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111 | 171.2 | -168.5 | 0 | 0 | 0 | 0 | 109.2 | A35 V280 N281 Q315 N328 F330 | A35-V313 HydrophobicContact CB-CG1 4.42Å; V280-V313 WeakPolarHBondContact CA-O 3.39Å; N281-V313 PolarHBondContact N-O 3.41Å; N281-V313 PolarHBondContact OD1-N 2.88Å; V313-Q315 HydrophobicContact CG1-CG 4.27Å; V313-N328 HydrophobicContact CG1-CB 4.25Å; V313-F330 HydrophobicContact CG1-CD1 4.38Å; V313-F330 HydrophobicContact CG1-CE1 4.16Å; V313-F330 HydrophobicContact CG2-CD1 3.85Å; V313-F330 HydrophobicContact CG2-CE1 3.76Å |
| 314 | F | 88.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 145.8 | 169.1 | -73.5 | -103.4 | 0 | 0 | 0 | 109.1 | L264 F279 V280 I285 P294 V301 L303 A312 N328 A329 V331 | L264-F314 HydrophobicContact CD1-CB 3.44Å; L264-F314 VanDerWaalsContact CD1-CB 3.44Å; L264-F314 HydrophobicContact CD1-CD1 3.71Å; L264-F314 HydrophobicContact CD1-CD2 3.96Å; L264-F314 HydrophobicContact CD1-CG 3.41Å; L264-F314 VanDerWaalsContact CD1-CG 3.41Å; F279-F314 CarbonylContact O-C 3.52Å; F279-F314 WeakPolarHBondContact O-CA 3.36Å; V280-F314 HydrophobicContact CG1-CZ 4.38Å; V280-F314 HydrophobicContact CG2-CD1 3.58Å; V280-F314 HydrophobicContact CG2-CE1 3.39Å; V280-F314 HydrophobicContact CG2-CG 4.26Å; V280-F314 HydrophobicContact CG2-CZ 3.94Å; I285-F314 HydrophobicContact CD1-CD1 4.39Å; I285-F314 HydrophobicContact CD1-CE1 3.99Å; P294-F314 HydrophobicContact CG-CE1 4.18Å; P294-F314 HydrophobicContact CG-CZ 4.3Å; V301-F314 HydrophobicContact CG1-CD1 4.33Å; V301-F314 HydrophobicContact CG1-CE1 4.09Å; L303-F314 HydrophobicContact CD1-CE2 4.29Å; L303-F314 HydrophobicContact CD1-CZ 4.24Å; L303-F314 HydrophobicContact CD2-CE1 3.8Å; L303-F314 HydrophobicContact CD2-CE2 4.12Å; L303-F314 HydrophobicContact CD2-CZ 3.37Å; L303-F314 HydrophobicContact CG-CZ 4.41Å; A312-F314 HydrophobicContact CB-CD2 4.46Å; A312-F314 HydrophobicContact CB-CE2 4.02Å; F314-N328 CarbonylContact O-C 3.41Å; F314-N328 WeakPolarHBondContact O-CA 3.48Å; F314-A329 PolarHBondContact N-O 2.88Å; F314-A329 PolarHBondContact O-N 3.18Å; F314-V331 HydrophobicContact CD2-CB 4.13Å; F314-V331 HydrophobicContact CD2-CG2 3.5Å; F314-V331 VanDerWaalsContact CD2-CG2 3.5Å; F314-V331 HydrophobicContact CE2-CB 4.14Å; F314-V331 HydrophobicContact CE2-CG2 3.81Å; F314-V331 HydrophobicContact CG-CG2 4.39Å |
| 315 | Q | 88.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.6 | -179.9 | -31.1 | 176.5 | -97.9 | 0 | 0 | 110 | W278 F279 G282 V313 M326 A327 N328 | W278-Q315 WeakPolarHBondContact CA-O 3.33Å; F279-Q315 HydrophobicContact CB-CB 4.14Å; F279-Q315 HydrophobicContact CB-CG 4.38Å; F279-Q315 PolarHBondContact N-O 3.39Å; F279-Q315 PolarHBondContact O-N 3.15Å; G282-Q315 VanDerWaalsContact CA-OE1 3.28Å; V313-Q315 HydrophobicContact CG1-CG 4.27Å; Q315-M326 HydrophobicContact CB-CE 3.69Å; Q315-M326 HydrophobicContact CG-CE 4.36Å; Q315-A327 CarbonylContact C-O 3.58Å; Q315-A327 VanDerWaalsContact CA-O 3.25Å; Q315-A327 WeakPolarHBondContact CA-O 3.44Å; Q315-N328 WeakPolarHBondContact CG-OD1 3.19Å; Q315-N328 PolarHBondContact NE2-OD1 2.76Å |
| 316 | C | 90.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.2 | 174 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | P251 C266 W278 M326 A327 | P251-C316 HydrophobicContact CG-CB 4.11Å; C266-C316 HydrophobicContact CB-CB 3.74Å; C266-C316 WeakPolarHBondContact CB-SG 3.47Å; C266-C316 WeakPolarHBondContact SG-CB 3.5Å; C266-C316 CovalentContact SG-SG 2.01Å; C266-C316 PolarHBondContact SG-SG 2.88Å; W278-C316 HydrophobicContact CD2-CB 4.23Å; W278-C316 HydrophobicContact CE3-CB 3.91Å; W278-C316 HydrophobicContact CH2-CB 3.97Å; W278-C316 HydrophobicContact CZ2-CB 4.24Å; W278-C316 HydrophobicContact CZ3-CB 3.78Å; C316-M326 VanDerWaalsContact O-CA 3.31Å; C316-M326 WeakPolarHBondContact O-CA 3.46Å; C316-M326 WeakPolarHBondContact O-CG 3.29Å; C316-A327 PolarHBondContact N-O 2.94Å; C316-A327 PolarHBondContact O-N 2.86Å |
| 317 | N | 88.8 | Confident | 83 | Confident | 31 Ų | 31 | 39.2 Ų | 39.2 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.7 | 177.4 | 177 | -1.3 | 0 | 0 | 0 | 109.8 | I276 N277 F279 Y324 L325 M326 | I276-N317 CarbonylContact C-O 3.47Å; N277-N317 PolarHBondContact N-O 2.88Å; N277-N317 PolarHBondContact ND2-O 3.11Å; N277-N317 PolarHBondContact O-N 2.74Å; F279-N317 HydrophobicContact CD2-CB 4.24Å; F279-N317 HydrophobicContact CE2-CB 3.84Å; N317-Y324 WeakPolarHBondContact OD1-CD2 3.09Å; N317-L325 WeakPolarHBondContact CA-O 3.37Å; N317-M326 HydrophobicContact CB-CG 4.39Å |
| 318 | A | 89.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.7 | P245 V268 P274 K275 I276 Y324 L325 | P245-A318 HydrophobicContact CB-CB 4.22Å; P245-A318 WeakPolarHBondContact CG-O 2.89Å; V268-A318 HydrophobicContact CB-CB 4.12Å; V268-A318 HydrophobicContact CG1-CB 3.91Å; V268-A318 HydrophobicContact CG2-CB 3.76Å; P274-A318 HydrophobicContact CB-CB 4.05Å; K275-A318 WeakPolarHBondContact O-CA 3.33Å; I276-A318 HydrophobicContact CG1-CB 4.46Å; A318-Y324 CarbonylContact O-C 3.18Å; A318-Y324 WeakPolarHBondContact O-CA 3.35Å; A318-Y324 WeakPolarHBondContact O-CB 3.33Å; A318-L325 PolarHBondContact N-O 3.26Å; A318-L325 PolarHBondContact O-N 2.8Å |
| 319 | S | 88.3 | Confident | 83.9 | Confident | 40 Ų | 40 | 33.9 Ų | 33.9 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 144.3 | -172.7 | 61 | 0 | 0 | 0 | 0 | 113.9 | P274 K275 | P274-S319 WeakPolarHBondContact CA-O 3.38Å; K275-S319 PolarHBondContact N-O 2.81Å; K275-S319 PolarHBondContact O-N 2.88Å |
| 320 | N | 89.1 | Confident | 84.6 | Confident | 31 Ų | 31 | 35.4 Ų | 35.4 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | -170.9 | 165.7 | 75.8 | 13.5 | 0 | 0 | 0 | 111.5 | A243 P245 P272 F322 G323 | A243-N320 PolarHBondContact O-ND2 2.94Å; P245-N320 HydrophobicContact CG-CB 4.33Å; P272-N320 PolarHBondContact O-ND2 2.8Å; N320-F322 PolarHBondContact O-N 3.05Å; N320-F322 PolarHBondContact OD1-N 2.92Å; N320-G323 PolarHBondContact N-O 3.14Å; N320-G323 PolarHBondContact O-N 2.9Å; N320-G323 VanDerWaalsContact O-O 3.09Å; N320-G323 PolarHBondContact OD1-N 2.94Å |
| 321 | E | 83.7 | Confident | 85.1 | Confident | 135 Ų | 135 | 33.7 Ų | 33.7 | 63% | 0.631 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.5 | -177.3 | 70.1 | -173.7 | 152.2 | 0 | 0 | 114.9 | P272 | P272-E321 WeakPolarHBondContact CD-OE1 3.35Å; P272-E321 HydrophobicContact CG-CG 4.27Å; P272-E321 WeakPolarHBondContact CG-OE1 3.45Å |
| 322 | F | 82.3 | Confident | 85 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -8.9 | -177.4 | -64.1 | -64.2 | 0 | 0 | 0 | 114 | M165 L167 K242 A244 N320 | M165-F322 HydrophobicContact CE-CE1 3.87Å; M165-F322 HydrophobicContact CE-CZ 4.35Å; M165-F322 HydrophobicContact SD-CE1 4.42Å; M165-F322 HydrophobicContact SD-CZ 4.48Å; L167-F322 HydrophobicContact CD2-CB 4.03Å; L167-F322 HydrophobicContact CD2-CD1 3.78Å; L167-F322 HydrophobicContact CD2-CD2 4.32Å; L167-F322 HydrophobicContact CD2-CE1 4.36Å; L167-F322 HydrophobicContact CD2-CG 3.76Å; K242-F322 HydrophobicContact CB-CD2 4.08Å; K242-F322 HydrophobicContact CB-CE2 3.72Å; K242-F322 HydrophobicContact CB-CZ 4.11Å; K242-F322 HydrophobicContact CD-CE2 3.78Å; K242-F322 HydrophobicContact CD-CZ 4.36Å; K242-F322 HydrophobicContact CG-CE2 3.73Å; K242-F322 HydrophobicContact CG-CZ 3.94Å; A244-F322 HydrophobicContact CB-CB 4.19Å; N320-F322 PolarHBondContact O-N 3.05Å; N320-F322 PolarHBondContact OD1-N 2.92Å |
| 323 | G | 78 | Confident | 84.8 | Confident | 28 Ų | 28 | 34.9 Ų | 34.9 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.7 | -170 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | P245 N320 | P245-G323 VanDerWaalsContact CD-C 3.48Å; P245-G323 VanDerWaalsContact CD-O 3.26Å; P245-G323 WeakPolarHBondContact CD-O 3.42Å; N320-G323 PolarHBondContact N-O 3.14Å; N320-G323 PolarHBondContact O-N 2.9Å; N320-G323 VanDerWaalsContact O-O 3.09Å; N320-G323 PolarHBondContact OD1-N 2.94Å |
| 324 | Y | 80.9 | Confident | 84.3 | Confident | 76 Ų | 76 | 38.6 Ų | 38.6 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 165 | 176.4 | 82.6 | -75.7 | 0 | 0 | 0 | 110.8 | T39 N317 A318 M326 | T39-Y324 WeakPolarHBondContact CB-OH 3.4Å; T39-Y324 WeakPolarHBondContact CG2-OH 3.23Å; T39-Y324 PolarHBondContact N-OH 3.48Å; T39-Y324 WeakPolarHBondContact OG1-CE1 3.34Å; T39-Y324 PolarHBondContact OG1-OH 3.1Å; T39-Y324 VanDerWaalsContact OG1-OH 3.07Å; N317-Y324 WeakPolarHBondContact OD1-CD2 3.09Å; A318-Y324 CarbonylContact O-C 3.18Å; A318-Y324 WeakPolarHBondContact O-CA 3.35Å; A318-Y324 WeakPolarHBondContact O-CB 3.33Å; Y324-M326 HydrophobicContact CE2-CB 4.23Å |
| 325 | L | 79.6 | Confident | 83.7 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 133.3 | -169.6 | -172.6 | 80.2 | 0 | 0 | 0 | 108.7 | P245 F246 W247 V268 N317 A318 | P245-L325 HydrophobicContact CB-CB 3.91Å; F246-L325 VanDerWaalsContact C-CD2 3.49Å; W247-L325 HydrophobicContact CD2-CD2 3.4Å; W247-L325 VanDerWaalsContact CD2-CD2 3.4Å; W247-L325 HydrophobicContact CD2-CG 4.18Å; W247-L325 HydrophobicContact CE3-CD2 3.83Å; W247-L325 HydrophobicContact CG-CD2 3.78Å; W247-L325 HydrophobicContact CH2-CD2 4.01Å; W247-L325 HydrophobicContact CH2-CG 4.2Å; W247-L325 HydrophobicContact CZ2-CD1 4.43Å; W247-L325 HydrophobicContact CZ2-CD2 3.64Å; W247-L325 HydrophobicContact CZ2-CG 3.55Å; W247-L325 HydrophobicContact CZ3-CD2 4.11Å; V268-L325 HydrophobicContact CG1-CD2 4.09Å; N317-L325 WeakPolarHBondContact CA-O 3.37Å; A318-L325 PolarHBondContact N-O 3.26Å; A318-L325 PolarHBondContact O-N 2.8Å |
| 326 | M | 82.7 | Confident | 83.1 | Confident | 19 Ų | 19 | 44.4 Ų | 44.4 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 138.2 | -173.8 | -165 | 168.6 | -171.1 | 0 | 0 | 112.4 | L36 Q315 C316 N317 Y324 | L36-M326 HydrophobicContact CB-CE 4.09Å; L36-M326 HydrophobicContact CB-SD 4.34Å; L36-M326 HydrophobicContact CD1-CE 4.16Å; Q315-M326 HydrophobicContact CB-CE 3.69Å; Q315-M326 HydrophobicContact CG-CE 4.36Å; C316-M326 VanDerWaalsContact O-CA 3.31Å; C316-M326 WeakPolarHBondContact O-CA 3.46Å; C316-M326 WeakPolarHBondContact O-CG 3.29Å; N317-M326 HydrophobicContact CB-CG 4.39Å; Y324-M326 HydrophobicContact CE2-CB 4.23Å |
| 327 | A | 82.8 | Confident | 82.8 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 13% | 0.132 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 152 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | W247 A250 P251 Q315 C316 | W247-A327 HydrophobicContact CH2-CB 3.47Å; W247-A327 VanDerWaalsContact CH2-CB 3.47Å; W247-A327 HydrophobicContact CZ2-CB 3.33Å; W247-A327 HydrophobicContact CZ3-CB 4.42Å; A250-A327 HydrophobicContact CB-CB 4.13Å; P251-A327 HydrophobicContact CG-CB 4.23Å; Q315-A327 CarbonylContact C-O 3.58Å; Q315-A327 VanDerWaalsContact CA-O 3.25Å; Q315-A327 WeakPolarHBondContact CA-O 3.44Å; C316-A327 PolarHBondContact N-O 2.94Å; C316-A327 PolarHBondContact O-N 2.86Å |
| 328 | N | 84.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 45.2 Ų | 45.2 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.1 | 178.8 | -59.3 | -41.3 | 0 | 0 | 0 | 109.4 | L36 V313 F314 Q315 | L36-N328 PolarHBondContact O-ND2 2.87Å; V313-N328 HydrophobicContact CG1-CB 4.25Å; F314-N328 CarbonylContact O-C 3.41Å; F314-N328 WeakPolarHBondContact O-CA 3.48Å; Q315-N328 WeakPolarHBondContact CG-OD1 3.19Å; Q315-N328 PolarHBondContact NE2-OD1 2.76Å |
| 329 | A | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 127.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P251 R252 L264 F314 | P251-A329 HydrophobicContact CB-CB 3.92Å; P251-A329 HydrophobicContact CG-CB 4.2Å; R252-A329 VanDerWaalsContact O-CB 3.24Å; R252-A329 WeakPolarHBondContact O-CB 3.38Å; L264-A329 HydrophobicContact CD2-CB 3.92Å; F314-A329 PolarHBondContact N-O 2.88Å; F314-A329 PolarHBondContact O-N 3.18Å |
| 330 | F | 84.9 | Confident | 82.5 | Confident | 109 Ų | 109 | 51.8 Ų | 51.8 | 48% | 0.478 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.8 | 178.6 | -61.6 | -82.6 | 0 | 0 | 0 | 109.8 | N253 L254 V313 | N253-F330 CarbonylContact C-O 3.58Å; N253-F330 VanDerWaalsContact CA-O 3.3Å; N253-F330 WeakPolarHBondContact CA-O 3.45Å; N253-F330 WeakPolarHBondContact CB-O 3.25Å; N253-F330 WeakPolarHBondContact OD1-CD2 3.31Å; N253-F330 PolarHBondContact OD1-N 3.13Å; L254-F330 PolarHBondContact N-O 2.83Å; V313-F330 HydrophobicContact CG1-CD1 4.38Å; V313-F330 HydrophobicContact CG1-CE1 4.16Å; V313-F330 HydrophobicContact CG2-CD1 3.85Å; V313-F330 HydrophobicContact CG2-CE1 3.76Å |
| 331 | V | 85.5 | Confident | 82.4 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.8 | 170.8 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | L254 L256 L264 L303 S311 A312 F314 | L254-V331 HydrophobicContact CB-CG2 4.37Å; L254-V331 HydrophobicContact CD1-CG2 4.35Å; L254-V331 WeakPolarHBondContact O-CA 3.46Å; L256-V331 HydrophobicContact CD1-CG1 3.94Å; L264-V331 HydrophobicContact CD1-CG2 4.02Å; L264-V331 HydrophobicContact CD2-CG2 4.32Å; L303-V331 HydrophobicContact CD1-CG1 4.19Å; L303-V331 HydrophobicContact CD1-CG2 3.81Å; S311-V331 CarbonylContact C-O 3.58Å; S311-V331 WeakPolarHBondContact CA-O 3.21Å; A312-V331 PolarHBondContact N-O 2.01Å; A312-V331 PolarHBondContact O-N 3.03Å; F314-V331 HydrophobicContact CD2-CB 4.13Å; F314-V331 HydrophobicContact CD2-CG2 3.5Å; F314-V331 VanDerWaalsContact CD2-CG2 3.5Å; F314-V331 HydrophobicContact CE2-CB 4.14Å; F314-V331 HydrophobicContact CE2-CG2 3.81Å; F314-V331 HydrophobicContact CG-CG2 4.39Å |
| 332 | N | 81.4 | Confident | 82.4 | Confident | 65 Ų | 65 | 50 Ų | 50 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 128.3 | -175.4 | -173.6 | 16.7 | 0 | 0 | 0 | 110.1 | L254 I255 L256 L334 | L254-N332 PolarHBondContact O-N 3.24Å; I255-N332 WeakPolarHBondContact CA-O 3.37Å; L256-N332 PolarHBondContact N-O 2.74Å; N332-L334 VanDerWaalsContact ND2-CD1 3.35Å; N332-L334 WeakPolarHBondContact ND2-CD1 3.24Å |
| 333 | V | 80.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 106.1 | -174.2 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | L256 P258 V306 Q307 S311 | L256-V333 HydrophobicContact CB-CG2 4.45Å; L256-V333 CarbonylContact O-C 3.59Å; L256-V333 VanDerWaalsContact O-CA 3.24Å; L256-V333 WeakPolarHBondContact O-CA 3.41Å; P258-V333 HydrophobicContact CG-CG1 4.28Å; V306-V333 HydrophobicContact CB-CG2 4.06Å; V306-V333 HydrophobicContact CG2-CG1 3.99Å; V306-V333 HydrophobicContact CG2-CG2 3.89Å; Q307-V333 WeakPolarHBondContact O-CB 3.5Å; Q307-V333 WeakPolarHBondContact O-CG1 3.32Å; Q307-V333 WeakPolarHBondContact O-CG2 3.44Å; S311-V333 PolarHBondContact OG-N 3Å |
| 334 | L | 74.2 | Confident | 82.9 | Confident | 90 Ų | 90 | 55.2 Ų | 55.2 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | trans | -133.6 | -179.6 | -171.6 | -67.9 | -179.7 | 0 | 0 | 0 | 111.5 | L256 A257 P258 N332 S365 | L256-L334 PolarHBondContact O-N 3.3Å; A257-L334 WeakPolarHBondContact CA-O 3.37Å; P258-L334 VanDerWaalsContact CD-O 3.31Å; P258-L334 WeakPolarHBondContact CD-O 3.41Å; N332-L334 VanDerWaalsContact ND2-CD1 3.35Å; N332-L334 WeakPolarHBondContact ND2-CD1 3.24Å; L334-S365 PolarHBondContact O-OG 2.89Å | ||
| 335 | A | 75.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 53% | 0.529 | 30% | 0.304 | S | S | . | . | trans | -147.6 | 128 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | S365 L415 | A335-S365 CarbonylContact C-O 3.53Å; A335-S365 WeakPolarHBondContact CA-O 3.21Å; A335-L415 HydrophobicContact CB-CD1 4.06Å | ||
| 336 | E | 76.8 | Confident | 83.6 | Confident | 60 Ų | 60 | 58.1 Ų | 58.1 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 141.6 | -173 | -166.1 | 172.9 | 155.3 | 0 | 0 | 112.9 | R339 S365 N413 | E336-R339 IonicContact OE1-CZ 3.52Å; E336-R339 IonicContact OE1-NE 3.93Å; E336-R339 PolarHBondContact OE1-NE 2.86Å; E336-R339 IonicContact OE1-NH2 2.67Å; E336-R339 PolarHBondContact OE1-NH2 2.8Å; E336-S365 PolarHBondContact N-O 3.15Å; E336-S365 PolarHBondContact O-N 2.83Å; E336-N413 PolarHBondContact O-ND2 2.9Å |
| 337 | A | 83.3 | Confident | 84.1 | Confident | 41 Ų | 41 | 59.7 Ų | 59.7 | 34% | 0.339 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 159.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L415 | A337-L415 HydrophobicContact CB-CB 3.87Å |
| 338 | P | 87.5 | Confident | 84.4 | Confident | 6 Ų | 6 | 61.3 Ų | 61.3 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 145.7 | -169.3 | -19.4 | 34.3 | 0 | 0 | 0 | 113.6 | F363 P368 A411 N413 G416 K418 | P338-F363 CarbonylContact C-O 3.6Å; P338-F363 WeakPolarHBondContact CA-O 3.38Å; P338-P368 HydrophobicContact CB-CB 3.99Å; P338-P368 HydrophobicContact CB-CG 4.48Å; P338-P368 HydrophobicContact CG-CB 4.04Å; P338-A411 HydrophobicContact CB-CB 4.01Å; P338-A411 WeakPolarHBondContact CB-O 3.21Å; P338-N413 WeakPolarHBondContact CD-OD1 3.45Å; P338-N413 HydrophobicContact CG-CB 4.2Å; P338-G416 VanDerWaalsContact CD-C 3.44Å; P338-G416 WeakPolarHBondContact CD-O 3.49Å; P338-G416 WeakPolarHBondContact CG-O 3.06Å; P338-K418 WeakPolarHBondContact O-CG 3.27Å |
| 339 | R | 87.3 | Confident | 84.8 | Confident | 146 Ų | 146 | 64.2 Ų | 64.2 | 55% | 0.551 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 136.4 | 168.5 | -50.9 | -175.5 | -172.1 | -147.7 | 7.9 | 108 | E336 S362 F363 | E336-R339 IonicContact OE1-CZ 3.52Å; E336-R339 IonicContact OE1-NE 3.93Å; E336-R339 PolarHBondContact OE1-NE 2.86Å; E336-R339 IonicContact OE1-NH2 2.67Å; E336-R339 PolarHBondContact OE1-NH2 2.8Å; R339-S362 CarbonylContact O-C 3.48Å; R339-S362 WeakPolarHBondContact O-CA 3.29Å; R339-S362 VanDerWaalsContact O-CB 3.29Å; R339-S362 WeakPolarHBondContact O-CB 3.25Å; R339-F363 PolarHBondContact N-O 3.06Å; R339-F363 PolarHBondContact O-N 3.02Å |
| 340 | V | 86.8 | Confident | 85.1 | Confident | 33 Ų | 33 | 64.9 Ų | 64.9 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 135.7 | 168.1 | -175.7 | 0 | 0 | 0 | 0 | 108.3 | A411 K418 N420 | V340-A411 HydrophobicContact CG2-CB 4.04Å; V340-K418 HydrophobicContact CG2-CB 4.1Å; V340-N420 HydrophobicContact CB-CB 4.16Å; V340-N420 HydrophobicContact CG1-CB 3.68Å; V340-N420 HydrophobicContact CG2-CB 4.34Å |
| 341 | L | 85.6 | Confident | 85.4 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 58% | 0.581 | 32% | 0.315 | S | S | * | . | trans | -103 | -25.2 | -178.3 | -55.5 | -179.9 | 0 | 0 | 0 | 112.2 | L343 A361 F363 | L341-L343 PolarHBondContact O-N 2.92Å; L341-A361 HydrophobicContact CB-CB 4.18Å; L341-A361 PolarHBondContact N-O 2.85Å; L341-F363 HydrophobicContact CD1-CB 4.24Å; L341-F363 HydrophobicContact CG-CB 4.46Å | ||
| 342 | T | 84.6 | Confident | 85.7 | Confident | 16 Ų | 16 | 61.9 Ų | 61.9 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -57.2 | 135.3 | 169 | -57.1 | 0 | 0 | 0 | 0 | 110.1 | D359 C360 A361 N420 V422 | T342-D359 WeakPolarHBondContact CB-O 3.43Å; T342-D359 VanDerWaalsContact CG2-O 3.25Å; T342-D359 WeakPolarHBondContact CG2-O 3.49Å; T342-D359 PolarHBondContact OG1-O 2.8Å; T342-C360 WeakPolarHBondContact OG1-CA 3.41Å; T342-A361 PolarHBondContact N-O 2.96Å; T342-A361 PolarHBondContact OG1-N 3.1Å; T342-N420 PolarHBondContact O-ND2 2.85Å; T342-V422 HydrophobicContact CG2-CG1 4.04Å |
| 343 | L | 84.3 | Confident | 85.9 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 62% | 0.623 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 143.5 | 177.6 | -69.1 | 173.4 | 0 | 0 | 0 | 112 | L341 N420 | L341-L343 PolarHBondContact O-N 2.92Å; L343-N420 PolarHBondContact O-ND2 3.26Å; L343-N420 VanDerWaalsContact O-ND2 3.16Å |
| 344 | P | 86.2 | Confident | 86.3 | Confident | 85 Ų | 85 | 67.6 Ų | 67.6 | 55% | 0.552 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 138.8 | 174.6 | 29.1 | -34.3 | 0 | 0 | 0 | 111.5 | Q346 N420 | P344-Q346 VanDerWaalsContact C-N 3.27Å; P344-Q346 PolarHBondContact O-N 2.61Å; P344-N420 WeakPolarHBondContact CA-OD1 3.43Å; P344-N420 WeakPolarHBondContact CB-OD1 3.15Å |
| 345 | N | 87.9 | Confident | 87.1 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 23.6 | -177.2 | -46.9 | -75.4 | 0 | 0 | 0 | 114.6 | V347 D421 F423 | N345-V347 PolarHBondContact O-N 3.05Å; N345-D421 WeakPolarHBondContact CA-O 3.49Å; N345-D421 PolarHBondContact N-O 2.84Å; N345-F423 HydrophobicContact CB-CD2 4.34Å; N345-F423 HydrophobicContact CB-CE2 3.91Å |
| 346 | Q | 88.6 | Confident | 87.8 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 131.6 | 173.3 | -177.7 | 60.5 | 31.4 | 0 | 0 | 110.7 | P344 Y348 V422 F423 | P344-Q346 VanDerWaalsContact C-N 3.27Å; P344-Q346 PolarHBondContact O-N 2.61Å; Q346-Y348 HydrophobicContact CB-CE2 4.06Å; Q346-Y348 HydrophobicContact CG-CD2 4.21Å; Q346-Y348 HydrophobicContact CG-CE2 3.63Å; Q346-V422 HydrophobicContact CB-CG1 4.12Å; Q346-V422 WeakPolarHBondContact O-CA 3.23Å; Q346-V422 WeakPolarHBondContact O-CB 3.31Å; Q346-F423 PolarHBondContact O-N 2.76Å |
| 347 | V | 91.4 | Very high | 88.6 | Confident | 51 Ų | 51 | 68.5 Ų | 68.5 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 115.3 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | N345 R349 F423 E425 | N345-V347 PolarHBondContact O-N 3.05Å; V347-R349 HydrophobicContact CG1-CG 4.47Å; V347-F423 HydrophobicContact CG2-CB 4.32Å; V347-E425 HydrophobicContact CG1-CG 4.05Å; V347-E425 WeakPolarHBondContact CG1-OE1 3.28Å |
| 348 | Y | 90.4 | Very high | 89 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 139.8 | 171.5 | -65 | -93.4 | 0 | 0 | 0 | 109.4 | Q346 L357 L358 D359 V422 F423 L424 E425 | Q346-Y348 HydrophobicContact CB-CE2 4.06Å; Q346-Y348 HydrophobicContact CG-CD2 4.21Å; Q346-Y348 HydrophobicContact CG-CE2 3.63Å; Y348-L357 WeakPolarHBondContact CD1-O 3.4Å; Y348-L358 HydrophobicContact CD2-CG 4.42Å; Y348-L358 HydrophobicContact CG-CG 4.5Å; Y348-D359 PolarHBondContact OH-N 3.06Å; Y348-D359 PolarHBondContact OH-O 3.41Å; Y348-V422 HydrophobicContact CD2-CB 4.22Å; Y348-V422 HydrophobicContact CD2-CG2 4.49Å; Y348-V422 HydrophobicContact CE2-CB 3.94Å; Y348-V422 HydrophobicContact CE2-CG1 4.03Å; Y348-V422 HydrophobicContact CE2-CG2 4.29Å; Y348-F423 PolarHBondContact N-O 2.8Å; Y348-L424 WeakPolarHBondContact O-CA 3.47Å; Y348-E425 PolarHBondContact O-N 2.97Å |
| 349 | R | 92.6 | Very high | 89.1 | Confident | 118 Ų | 118 | 68.1 Ų | 68.1 | 45% | 0.445 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.3 | 176 | -56.2 | -166.7 | 167.5 | 90.7 | 15.5 | 109.5 | V347 E425 L506 | V347-R349 HydrophobicContact CG1-CG 4.47Å; R349-E425 WeakPolarHBondContact CA-O 3.36Å; R349-E425 HydrophobicContact CG-CB 4.23Å; R349-E425 IonicContact CZ-OE1 2.83Å; R349-E425 IonicContact CZ-OE2 3.63Å; R349-E425 VanDerWaalsContact NE-CD 3.28Å; R349-E425 IonicContact NE-OE1 2.82Å; R349-E425 PolarHBondContact NE-OE1 2.86Å; R349-E425 IonicContact NE-OE2 2.72Å; R349-E425 PolarHBondContact NE-OE2 2.86Å; R349-E425 IonicContact NH2-OE1 3.8Å; R349-E425 PolarHBondContact NH2-OE1 2.86Å; R349-E425 IonicContact NH2-OE2 3.66Å; R349-L506 HydrophobicContact CB-CD1 3.59Å; R349-L506 HydrophobicContact CB-CD2 4.01Å; R349-L506 HydrophobicContact CB-CG 4.47Å |
| 350 | V | 91.9 | Very high | 89.1 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.3 | -177.6 | 68.2 | 0 | 0 | 0 | 0 | 109.7 | H354 R355 A356 A399 L424 E425 V426 K427 | V350-H354 HydrophobicContact CG2-CB 4.26Å; V350-R355 VanDerWaalsContact CG2-O 3.29Å; V350-R355 WeakPolarHBondContact CG2-O 3.45Å; V350-A356 HydrophobicContact CB-CB 4.06Å; V350-A356 HydrophobicContact CG1-CB 3.89Å; V350-A356 HydrophobicContact CG2-CB 3.92Å; V350-A399 HydrophobicContact CG1-CB 3.59Å; V350-A399 HydrophobicContact CG2-CB 4.08Å; V350-L424 HydrophobicContact CB-CD1 4.48Å; V350-L424 HydrophobicContact CG1-CD1 3.83Å; V350-L424 HydrophobicContact CG1-CG 4.42Å; V350-E425 PolarHBondContact N-O 3.31Å; V350-V426 HydrophobicContact CG1-CB 4.33Å; V350-V426 HydrophobicContact CG1-CG1 4.35Å; V350-V426 HydrophobicContact CG1-CG2 3.79Å; V350-V426 CarbonylContact O-C 3.55Å; V350-V426 WeakPolarHBondContact O-CA 3.22Å; V350-K427 PolarHBondContact O-N 3.01Å |
| 351 | I | 90.9 | Very high | 89 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 142.5 | 173.4 | -59.4 | -47.5 | 0 | 0 | 0 | 110.6 | H354 K427 P429 L459 L506 D507 | I351-H354 WeakPolarHBondContact O-CB 3.34Å; I351-H354 PolarHBondContact O-N 2.81Å; I351-H354 VanDerWaalsContact O-N 3.15Å; I351-K427 HydrophobicContact CD1-CB 3.71Å; I351-K427 HydrophobicContact CD1-CG 4.48Å; I351-P429 VanDerWaalsContact CG2-CA 3.44Å; I351-P429 HydrophobicContact CG2-CB 3.5Å; I351-P429 VanDerWaalsContact CG2-CB 3.5Å; I351-L459 HydrophobicContact CD1-CD1 3.99Å; I351-L506 HydrophobicContact CD1-CB 3.68Å; I351-L506 HydrophobicContact CD1-CD1 4Å; I351-L506 HydrophobicContact CG1-CB 3.93Å; I351-D507 HydrophobicContact CG1-CB 3.75Å |
| 352 | M | 90.7 | Very high | 89 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 23% | 0.232 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 143.7 | 174.3 | -173.3 | 178.4 | 66.8 | 0 | 0 | 111.9 | H354 P401 V426 K427 P429 | M352-H354 PolarHBondContact O-N 3.46Å; M352-H354 PolarHBondContact O-ND1 3.23Å; M352-H354 VanDerWaalsContact O-ND1 3.16Å; M352-P401 HydrophobicContact SD-CG 3.99Å; M352-V426 HydrophobicContact CB-CG1 4.03Å; M352-K427 WeakPolarHBondContact CB-O 3.28Å; M352-K427 PolarHBondContact N-O 3.25Å; M352-P429 HydrophobicContact CE-CG 4.4Å |
| 353 | N | 87.1 | Confident | 88.9 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -1.2 | -174.5 | -54.8 | -30.9 | 0 | 0 | 0 | 116.6 | V398 A399 Q400 | N353-V398 HydrophobicContact CB-CG1 4.35Å; N353-A399 PolarHBondContact N-O 3.33Å; N353-Q400 PolarHBondContact OD1-NE2 2.7Å |
| 354 | H | 88.6 | Confident | 88.5 | Confident | 104 Ų | 104 | 54.1 Ų | 54.1 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -92.3 | 161.1 | 172.4 | -65.6 | 73.1 | 0 | 0 | 0 | 111.2 | V350 I351 M352 A399 | V350-H354 HydrophobicContact CG2-CB 4.26Å; I351-H354 WeakPolarHBondContact O-CB 3.34Å; I351-H354 PolarHBondContact O-N 2.81Å; I351-H354 VanDerWaalsContact O-N 3.15Å; M352-H354 PolarHBondContact O-N 3.46Å; M352-H354 PolarHBondContact O-ND1 3.23Å; M352-H354 VanDerWaalsContact O-ND1 3.16Å; H354-A399 WeakPolarHBondContact O-CB 3.43Å; H354-A399 PolarHBondContact O-N 2.75Å |
| 355 | R | 90.6 | Very high | 87.8 | Confident | 165 Ų | 165 | 50.3 Ų | 50.3 | 62% | 0.623 | 25% | 0.247 | S | C | * | . | trans | -65.5 | 140.2 | 170.3 | 59.5 | 170.6 | 174 | -173.7 | -0.4 | 111.1 | V350 E395 I396 | V350-R355 VanDerWaalsContact CG2-O 3.29Å; V350-R355 WeakPolarHBondContact CG2-O 3.45Å; R355-E395 HydrophobicContact CB-CG 4.45Å; R355-E395 WeakPolarHBondContact CD-OE1 3.46Å; R355-E395 IonicContact NH1-OE1 3.18Å; R355-I396 WeakPolarHBondContact CA-O 3.43Å | ||
| 356 | A | 91.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | V350 L358 E395 I396 A399 L424 | V350-A356 HydrophobicContact CB-CB 4.06Å; V350-A356 HydrophobicContact CG1-CB 3.89Å; V350-A356 HydrophobicContact CG2-CB 3.92Å; A356-L358 HydrophobicContact CB-CD1 4.23Å; A356-E395 CarbonylContact O-C 3.57Å; A356-E395 VanDerWaalsContact O-CA 3.32Å; A356-E395 WeakPolarHBondContact O-CA 3.27Å; A356-I396 HydrophobicContact CB-CB 4.06Å; A356-I396 HydrophobicContact CB-CD1 4.36Å; A356-I396 HydrophobicContact CB-CG1 4.35Å; A356-I396 PolarHBondContact N-O 3.18Å; A356-I396 PolarHBondContact O-N 2.84Å; A356-A399 HydrophobicContact CB-CB 4.44Å; A356-L424 HydrophobicContact CB-CD1 4.16Å; A356-L424 HydrophobicContact CB-CD2 4.32Å |
| 357 | L | 92.6 | Very high | 86.7 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 35% | 0.346 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.4 | 175.4 | -60 | -179.7 | 0 | 0 | 0 | 109.4 | Y348 T393 L394 E395 | Y348-L357 WeakPolarHBondContact CD1-O 3.4Å; L357-T393 HydrophobicContact CB-CG2 3.99Å; L357-T393 HydrophobicContact CD2-CG2 4.22Å; L357-L394 WeakPolarHBondContact CA-O 3.46Å; L357-E395 HydrophobicContact CD2-CB 3.61Å; L357-E395 HydrophobicContact CD2-CG 3.73Å |
| 358 | L | 93 | Very high | 86.3 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.6 | 176.6 | -62.4 | 78.5 | 0 | 0 | 0 | 107.8 | Y348 A356 W372 T393 L394 I396 Y407 V422 | Y348-L358 HydrophobicContact CD2-CG 4.42Å; Y348-L358 HydrophobicContact CG-CG 4.5Å; A356-L358 HydrophobicContact CB-CD1 4.23Å; L358-W372 HydrophobicContact CB-CH2 3.6Å; L358-W372 HydrophobicContact CB-CZ2 4.22Å; L358-W372 HydrophobicContact CB-CZ3 4.13Å; L358-W372 HydrophobicContact CD2-CZ3 4.29Å; L358-W372 WeakPolarHBondContact O-CH2 3.39Å; L358-W372 WeakPolarHBondContact O-CZ2 3.35Å; L358-T393 WeakPolarHBondContact O-CA 3.49Å; L358-L394 HydrophobicContact CB-CB 4.42Å; L358-L394 PolarHBondContact N-O 3.25Å; L358-L394 PolarHBondContact O-N 3.29Å; L358-I396 HydrophobicContact CD1-CD1 3.92Å; L358-I396 HydrophobicContact CD1-CG1 4.13Å; L358-Y407 HydrophobicContact CD2-CD1 4.25Å; L358-Y407 HydrophobicContact CD2-CD2 3.82Å; L358-Y407 HydrophobicContact CD2-CE2 4.45Å; L358-Y407 HydrophobicContact CD2-CG 3.72Å; L358-V422 HydrophobicContact CD2-CG2 4.01Å |
| 359 | D | 87.9 | Confident | 86.2 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | trans | -78.7 | 125 | -175.3 | -82.1 | 5.1 | 0 | 0 | 0 | 111.3 | T342 Y348 T393 R1109 | T342-D359 WeakPolarHBondContact CB-O 3.43Å; T342-D359 VanDerWaalsContact CG2-O 3.25Å; T342-D359 WeakPolarHBondContact CG2-O 3.49Å; T342-D359 PolarHBondContact OG1-O 2.8Å; Y348-D359 PolarHBondContact OH-N 3.06Å; Y348-D359 PolarHBondContact OH-O 3.41Å; D359-T393 WeakPolarHBondContact OD1-CB 3.31Å; D359-T393 WeakPolarHBondContact OD1-CG2 3.07Å; D359-T393 PolarHBondContact OD1-OG1 3.35Å; D359-R1109 IonicContact OD1-NH2 3.08Å; D359-R1109 IonicContact OD2-NH2 2.92Å; D359-R1109 PolarHBondContact OD2-NH2 3.15Å | ||
| 360 | C | 87.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -109.9 | 61.3 | 166 | -168.7 | 0 | 0 | 0 | 0 | 110.1 | T342 S362 I370 W372 G392 C409 | T342-C360 WeakPolarHBondContact OG1-CA 3.41Å; C360-S362 PolarHBondContact O-N 2.68Å; C360-I370 HydrophobicContact CB-CG2 4.2Å; C360-W372 HydrophobicContact CB-CH2 4.17Å; C360-W372 HydrophobicContact CB-CZ2 3.47Å; C360-W372 VanDerWaalsContact CB-CZ2 3.47Å; C360-G392 WeakPolarHBondContact CB-O 3.44Å; C360-C409 HydrophobicContact CB-CB 3.49Å; C360-C409 VanDerWaalsContact CB-CB 3.49Å; C360-C409 WeakPolarHBondContact CB-SG 3.15Å; C360-C409 WeakPolarHBondContact SG-CB 3.38Å; C360-C409 CovalentContact SG-SG 2.04Å; C360-C409 PolarHBondContact SG-SG 3.07Å | ||
| 361 | A | 85.9 | Confident | 86.1 | Confident | 42 Ų | 42 | 45 Ų | 45 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | trans | -56.4 | 126.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L341 T342 | L341-A361 HydrophobicContact CB-CB 4.18Å; L341-A361 PolarHBondContact N-O 2.85Å; T342-A361 PolarHBondContact N-O 2.96Å; T342-A361 PolarHBondContact OG1-N 3.1Å | ||
| 362 | S | 85.1 | Confident | 86.2 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 16% | 0.161 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161 | -175.1 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | R339 C360 I370 | R339-S362 CarbonylContact O-C 3.48Å; R339-S362 WeakPolarHBondContact O-CA 3.29Å; R339-S362 VanDerWaalsContact O-CB 3.29Å; R339-S362 WeakPolarHBondContact O-CB 3.25Å; C360-S362 PolarHBondContact O-N 2.68Å; S362-I370 VanDerWaalsContact OG-CD1 3.31Å; S362-I370 WeakPolarHBondContact OG-CD1 3.36Å |
| 363 | F | 81.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 45.3 Ų | 45.3 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 140.1 | -176.3 | -179.1 | -96.1 | 0 | 0 | 0 | 110.2 | I255 P338 R339 L341 | I255-F363 HydrophobicContact CD1-CE2 4.15Å; I255-F363 HydrophobicContact CD1-CZ 4.38Å; P338-F363 CarbonylContact C-O 3.6Å; P338-F363 WeakPolarHBondContact CA-O 3.38Å; R339-F363 PolarHBondContact N-O 3.06Å; R339-F363 PolarHBondContact O-N 3.02Å; L341-F363 HydrophobicContact CD1-CB 4.24Å; L341-F363 HydrophobicContact CG-CB 4.46Å |
| 364 | G | 76.5 | Confident | 86.3 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.3 | 162.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P366 | G364-P366 CarbonylContact C-O 3.54Å; G364-P366 VanDerWaalsContact C-O 3.29Å |
| 365 | S | 71.9 | Confident | 86 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 113.6 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 109.7 | A257 L334 A335 E336 | A257-S365 PolarHBondContact N-OG 2.9Å; L334-S365 PolarHBondContact O-OG 2.89Å; A335-S365 CarbonylContact C-O 3.53Å; A335-S365 WeakPolarHBondContact CA-O 3.21Å; E336-S365 PolarHBondContact N-O 3.15Å; E336-S365 PolarHBondContact O-N 2.83Å |
| 366 | P | 75.6 | Confident | 85 | Confident | 39 Ų | 39 | 36.2 Ų | 36.2 | 25% | 0.253 | 22% | 0.219 | S | C | . | . | S | Bend | cis | -57.3 | 158 | -0.7 | -18.4 | 30.1 | 0 | 0 | 0 | 113.5 | A257 G364 N413 N414 | A257-P366 HydrophobicContact CB-CB 3.99Å; A257-P366 HydrophobicContact CB-CG 3.63Å; G364-P366 CarbonylContact C-O 3.54Å; G364-P366 VanDerWaalsContact C-O 3.29Å; P366-N413 PolarHBondContact O-ND2 2.87Å; P366-N414 WeakPolarHBondContact CD-OD1 3.46Å |
| 367 | I | 76.7 | Confident | 83.8 | Confident | 84 Ų | 84 | 44.4 Ų | 44.4 | 43% | 0.431 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 127.3 | 178.9 | -59.3 | 175.2 | 0 | 0 | 0 | 109.2 | Y1108 | I367-Y1108 HydrophobicContact CD1-CE1 4.5Å; I367-Y1108 WeakPolarHBondContact CD1-OH 3.29Å |
| 368 | P | 84.7 | Confident | 82.9 | Confident | 10 Ų | 10 | 45.7 Ų | 45.7 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 134.7 | -175.6 | 28.9 | -34.4 | 0 | 0 | 0 | 111.9 | P338 A411 T412 N413 | P338-P368 HydrophobicContact CB-CB 3.99Å; P338-P368 HydrophobicContact CB-CG 4.48Å; P338-P368 HydrophobicContact CG-CB 4.04Å; P368-A411 HydrophobicContact CB-CB 4.09Å; P368-A411 HydrophobicContact CG-CB 4.38Å; P368-T412 CarbonylContact C-O 3.57Å; P368-T412 WeakPolarHBondContact CA-O 3.46Å; P368-N413 HydrophobicContact CB-CB 4.48Å |
| 369 | T | 87.8 | Confident | 82.5 | Confident | 102 Ų | 102 | 49.5 Ų | 49.5 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 137.1 | 169.3 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | T412 | T369-T412 PolarHBondContact N-O 3.41Å; T369-T412 PolarHBondContact O-N 2.93Å; T369-T412 PolarHBondContact OG1-O 3.23Å |
| 370 | I | 91 | Very high | 82.4 | Confident | 32 Ų | 32 | 48.1 Ų | 48.1 | 16% | 0.164 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.1 | -175.4 | -58.5 | -72.7 | 0 | 0 | 0 | 109.6 | C360 S362 T410 A411 | C360-I370 HydrophobicContact CB-CG2 4.2Å; S362-I370 VanDerWaalsContact OG-CD1 3.31Å; S362-I370 WeakPolarHBondContact OG-CD1 3.36Å; I370-T410 WeakPolarHBondContact CA-O 3.35Å; I370-A411 HydrophobicContact CD1-CB 3.49Å; I370-A411 VanDerWaalsContact CD1-CB 3.49Å |
| 371 | A | 90.7 | Very high | 82.2 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 158.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | F373 C409 T410 | A371-F373 HydrophobicContact CB-CE2 4.3Å; A371-C409 CarbonylContact O-C 3.58Å; A371-C409 WeakPolarHBondContact O-CA 3.45Å; A371-T410 PolarHBondContact N-O 2.96Å; A371-T410 PolarHBondContact O-N 2.99Å; A371-T410 PolarHBondContact O-OG1 2.89Å |
| 372 | W | 93.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.1 | -173.5 | -78.8 | 92.1 | 0 | 0 | 0 | 111.6 | L358 C360 I380 G392 L394 T408 C409 V422 | L358-W372 HydrophobicContact CB-CH2 3.6Å; L358-W372 HydrophobicContact CB-CZ2 4.22Å; L358-W372 HydrophobicContact CB-CZ3 4.13Å; L358-W372 HydrophobicContact CD2-CZ3 4.29Å; L358-W372 WeakPolarHBondContact O-CH2 3.39Å; L358-W372 WeakPolarHBondContact O-CZ2 3.35Å; C360-W372 HydrophobicContact CB-CH2 4.17Å; C360-W372 HydrophobicContact CB-CZ2 3.47Å; C360-W372 VanDerWaalsContact CB-CZ2 3.47Å; W372-I380 HydrophobicContact CB-CB 4.16Å; W372-I380 HydrophobicContact CB-CD1 4.17Å; W372-I380 HydrophobicContact CB-CG1 4.47Å; W372-I380 PolarHBondContact O-N 2.92Å; W372-G392 PolarHBondContact NE1-O 2.86Å; W372-L394 HydrophobicContact CB-CD2 4.24Å; W372-L394 HydrophobicContact CD2-CB 3.74Å; W372-L394 HydrophobicContact CD2-CD2 4Å; W372-L394 HydrophobicContact CD2-CG 4.45Å; W372-L394 VanDerWaalsContact CE2-CB 3.49Å; W372-L394 HydrophobicContact CE3-CB 4.33Å; W372-L394 HydrophobicContact CE3-CD2 4.04Å; W372-L394 HydrophobicContact CG-CB 3.98Å; W372-L394 HydrophobicContact CG-CD2 4.12Å; W372-L394 HydrophobicContact CG-CG 4.45Å; W372-L394 HydrophobicContact CH2-CB 4.44Å; W372-L394 HydrophobicContact CZ2-CB 3.86Å; W372-T408 CarbonylContact C-O 3.56Å; W372-T408 WeakPolarHBondContact CA-O 2.99Å; W372-C409 HydrophobicContact CD2-CB 3.61Å; W372-C409 HydrophobicContact CE3-CB 3.63Å; W372-C409 HydrophobicContact CG-CB 4.4Å; W372-C409 HydrophobicContact CH2-CB 3.69Å; W372-C409 HydrophobicContact CZ2-CB 3.65Å; W372-C409 HydrophobicContact CZ3-CB 3.67Å; W372-V422 HydrophobicContact CH2-CG2 4.02Å; W372-V422 HydrophobicContact CZ3-CG2 3.73Å |
| 373 | F | 91.3 | Very high | 81.6 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 131.4 | -178.8 | -61.6 | -101 | 0 | 0 | 0 | 110.7 | A371 T378 N379 Y407 T408 T410 | A371-F373 HydrophobicContact CB-CE2 4.3Å; F373-T378 CarbonylContact C-O 3.51Å; F373-T378 VanDerWaalsContact CA-O 3.25Å; F373-T378 WeakPolarHBondContact CA-O 3.14Å; F373-N379 HydrophobicContact CD1-CB 3.9Å; F373-N379 HydrophobicContact CE1-CB 3.61Å; F373-N379 HydrophobicContact CZ-CB 4.3Å; F373-Y407 CarbonylContact O-C 3.51Å; F373-Y407 WeakPolarHBondContact O-CA 3.46Å; F373-T408 PolarHBondContact N-O 2.92Å; F373-T408 PolarHBondContact O-N 2.86Å; F373-T410 HydrophobicContact CD2-CG2 3.97Å; F373-T410 HydrophobicContact CE2-CG2 3.76Å |
| 374 | K | 89.1 | Confident | 80.8 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 134.1 | 170.6 | -157.4 | -177.5 | -172.6 | -79 | 0 | 111 | G376 Q377 T378 I380 H403 S404 Y407 | K374-G376 PolarHBondContact O-N 3.1Å; K374-Q377 PolarHBondContact O-N 3.07Å; K374-Q377 VanDerWaalsContact O-N 3.13Å; K374-T378 PolarHBondContact N-O 2.95Å; K374-T378 PolarHBondContact O-N 3.39Å; K374-I380 HydrophobicContact CB-CD1 4.19Å; K374-H403 VanDerWaalsContact CE-O 3.22Å; K374-H403 WeakPolarHBondContact CE-O 3.26Å; K374-S404 PolarHBondContact NZ-O 3.46Å; K374-Y407 HydrophobicContact CB-CD1 4.44Å; K374-Y407 HydrophobicContact CB-CE1 4.19Å; K374-Y407 HydrophobicContact CD-CE1 4.17Å; K374-Y407 HydrophobicContact CD-CE2 4.26Å; K374-Y407 WeakPolarHBondContact CD-OH 3.46Å; K374-Y407 WeakPolarHBondContact CE-OH 3.37Å; K374-Y407 HydrophobicContact CG-CD1 4.34Å; K374-Y407 HydrophobicContact CG-CE1 3.93Å; K374-Y407 HydrophobicContact CG-CE2 4.13Å |
| 375 | D | 81.4 | Confident | 81 | Confident | 80 Ų | 80 | 66.9 Ų | 66.9 | 43% | 0.428 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48 | 30.7 | 174.2 | -56.6 | -48.7 | 0 | 0 | 0 | 114.1 | Q377 K406 | D375-Q377 VanDerWaalsContact C-N 3.31Å; D375-Q377 PolarHBondContact O-N 2.85Å; D375-K406 PolarHBondContact N-O 3.22Å; D375-K406 PolarHBondContact OD1-N 2.92Å |
| 376 | G | 70.1 | Confident | 81.9 | Confident | 54 Ų | 54 | 68.8 Ų | 68.8 | 56% | 0.557 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 10.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | K374 | K374-G376 PolarHBondContact O-N 3.1Š|
| 377 | Q | 66 | Low | 82.5 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 81% | 0.813 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.9 | -36.8 | -172.5 | -64.4 | -178.6 | 33 | 0 | 0 | 114.7 | K374 D375 | K374-Q377 PolarHBondContact O-N 3.07Å; K374-Q377 VanDerWaalsContact O-N 3.13Å; D375-Q377 VanDerWaalsContact C-N 3.31Å; D375-Q377 PolarHBondContact O-N 2.85Å |
| 378 | T | 74 | Confident | 83.1 | Confident | 94 Ų | 94 | 67.1 Ų | 67.1 | 58% | 0.577 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 113 | -172.7 | -56.9 | 0 | 0 | 0 | 0 | 110.8 | F373 K374 I380 | F373-T378 CarbonylContact C-O 3.51Å; F373-T378 VanDerWaalsContact CA-O 3.25Å; F373-T378 WeakPolarHBondContact CA-O 3.14Å; K374-T378 PolarHBondContact N-O 2.95Å; K374-T378 PolarHBondContact O-N 3.39Å; T378-I380 PolarHBondContact O-N 2.58Å |
| 379 | N | 84.6 | Confident | 83 | Confident | 79 Ų | 79 | 69.7 Ų | 69.7 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 119.8 | 168.3 | -174.9 | -22.7 | 0 | 0 | 0 | 109.4 | F373 | F373-N379 HydrophobicContact CD1-CB 3.9Å; F373-N379 HydrophobicContact CE1-CB 3.61Å; F373-N379 HydrophobicContact CZ-CB 4.3Å |
| 380 | I | 86.4 | Confident | 82.4 | Confident | 10 Ų | 10 | 74.2 Ų | 74.2 | 5% | 0.051 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.5 | -179.4 | -53.5 | 178.9 | 0 | 0 | 0 | 108.7 | W372 K374 T378 Y386 L394 Y407 | W372-I380 HydrophobicContact CB-CB 4.16Å; W372-I380 HydrophobicContact CB-CD1 4.17Å; W372-I380 HydrophobicContact CB-CG1 4.47Å; W372-I380 PolarHBondContact O-N 2.92Å; K374-I380 HydrophobicContact CB-CD1 4.19Å; T378-I380 PolarHBondContact O-N 2.58Å; I380-Y386 HydrophobicContact CD1-CE1 4.44Å; I380-Y386 HydrophobicContact CG2-CD1 3.86Å; I380-Y386 HydrophobicContact CG2-CD2 3.99Å; I380-Y386 HydrophobicContact CG2-CE1 4.47Å; I380-Y386 HydrophobicContact CG2-CG 3.58Å; I380-L394 HydrophobicContact CD1-CD2 3.81Å; I380-L394 HydrophobicContact CG2-CD1 4.05Å; I380-Y407 HydrophobicContact CD1-CD1 3.64Å; I380-Y407 HydrophobicContact CD1-CE1 3.52Å |
| 381 | K | 83.4 | Confident | 81.6 | Confident | 156 Ų | 156 | 75.5 Ų | 75.5 | 68% | 0.678 | 41% | 0.411 | S | S | * | . | trans | -129.2 | 158.9 | 176.3 | -60.5 | -175.3 | 179.2 | -174.3 | 0 | 109.3 | ||||
| 382 | D | 78.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 57% | 0.567 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -56.5 | 137.9 | 174.4 | -53.9 | -60.7 | 0 | 0 | 0 | 111.9 | Y386 I388 | D382-Y386 WeakPolarHBondContact CA-O 3.47Å; D382-I388 PolarHBondContact OD1-N 3.03Å |
| 383 | G | 78.6 | Confident | 81.1 | Confident | 42 Ų | 42 | 74.4 Ų | 74.4 | 43% | 0.433 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | 170.1 | -173.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S385 Y386 | G383-S385 PolarHBondContact O-N 2.92Å; G383-Y386 PolarHBondContact N-O 2.88Å; G383-Y386 PolarHBondContact O-N 3.37Å |
| 384 | D | 64.1 | Low | 81.2 | Confident | 163 Ų | 163 | 71.6 Ų | 71.6 | 87% | 0.872 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.4 | -166.5 | -52.2 | -17.7 | 0 | 0 | 0 | 115.7 | N397 | D384-N397 PolarHBondContact O-ND2 2.97Š|
| 385 | S | 82.3 | Confident | 81.4 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 41% | 0.406 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -12.5 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 115.6 | G383 N397 | G383-S385 PolarHBondContact O-N 2.92Å; S385-N397 PolarHBondContact O-N 3.33Å |
| 386 | Y | 89.6 | Confident | 82 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 135.9 | -169.8 | -64.4 | -76.1 | 0 | 0 | 0 | 111.2 | I380 D382 G383 L394 E395 I396 Y407 | I380-Y386 HydrophobicContact CD1-CE1 4.44Å; I380-Y386 HydrophobicContact CG2-CD1 3.86Å; I380-Y386 HydrophobicContact CG2-CD2 3.99Å; I380-Y386 HydrophobicContact CG2-CE1 4.47Å; I380-Y386 HydrophobicContact CG2-CG 3.58Å; D382-Y386 WeakPolarHBondContact CA-O 3.47Å; G383-Y386 PolarHBondContact N-O 2.88Å; G383-Y386 PolarHBondContact O-N 3.37Å; Y386-L394 HydrophobicContact CD1-CD1 4.09Å; Y386-E395 WeakPolarHBondContact CA-O 3.24Å; Y386-I396 HydrophobicContact CD1-CB 4.47Å; Y386-I396 HydrophobicContact CD1-CG1 3.91Å; Y386-I396 HydrophobicContact CD1-CG2 4.4Å; Y386-I396 HydrophobicContact CE1-CB 4.47Å; Y386-I396 HydrophobicContact CE1-CD1 4Å; Y386-I396 HydrophobicContact CE1-CG1 3.82Å; Y386-I396 HydrophobicContact CE1-CG2 4.1Å; Y386-Y407 HydrophobicContact CE1-CE1 4.33Å |
| 387 | V | 89.3 | Confident | 82.7 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 30% | 0.297 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 132.3 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 108.7 | E395 N397 | V387-E395 HydrophobicContact CB-CB 4.32Å; V387-E395 PolarHBondContact N-O 2.92Å; V387-E395 PolarHBondContact O-N 2.9Å; V387-N397 WeakPolarHBondContact CG2-OD1 3.38Å |
| 388 | I | 88.6 | Confident | 83.9 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 112.1 | 175.5 | -57.8 | 174.2 | 0 | 0 | 0 | 107.9 | D382 L394 | D382-I388 PolarHBondContact OD1-N 3.03Å; I388-L394 HydrophobicContact CG1-CD1 3.9Å |
| 389 | H | 83.1 | Confident | 84.6 | Confident | 64 Ų | 64 | 58.1 Ų | 58.1 | 30% | 0.296 | 31% | 0.309 | S | S | . | . | trans | -73.8 | 157.1 | 178.9 | -59.7 | -48.5 | 0 | 0 | 0 | 111.8 | N391 G392 T393 E395 | H389-N391 VanDerWaalsContact CB-OD1 3.26Å; H389-N391 WeakPolarHBondContact CB-OD1 3.36Å; H389-N391 PolarHBondContact O-N 2.65Å; H389-N391 VanDerWaalsContact O-N 3.09Å; H389-G392 PolarHBondContact O-N 3.34Å; H389-T393 PolarHBondContact N-O 2.92Å; H389-E395 IonicContact CE1-OE2 3.53Å; H389-E395 PolarHBondContact CE1-OE2 2.82Å; H389-E395 VanDerWaalsContact CE1-OE2 3.25Å; H389-E395 IonicContact NE2-OE2 2.76Å | ||
| 390 | E | 75.4 | Confident | 85 | Confident | 197 Ų | 197 | 57.4 Ų | 57.4 | 92% | 0.921 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -27.1 | -179.5 | -60.7 | -173.6 | 151.9 | 0 | 0 | 113.9 | G392 | E390-G392 PolarHBondContact O-N 3.46Š|
| 391 | N | 74.8 | Confident | 85.1 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 32% | 0.316 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 2.4 | 176.4 | 77.1 | -29.7 | 0 | 0 | 0 | 114 | H389 T393 | H389-N391 VanDerWaalsContact CB-OD1 3.26Å; H389-N391 WeakPolarHBondContact CB-OD1 3.36Å; H389-N391 PolarHBondContact O-N 2.65Å; H389-N391 VanDerWaalsContact O-N 3.09Å; N391-T393 PolarHBondContact ND2-OG1 2.73Å; N391-T393 VanDerWaalsContact OD1-CB 3.3Å; N391-T393 WeakPolarHBondContact OD1-CB 3.31Å; N391-T393 PolarHBondContact OD1-N 2.88Å; N391-T393 VanDerWaalsContact OD1-N 3.08Å; N391-T393 PolarHBondContact OD1-OG1 2.96Å |
| 392 | G | 83.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 88 | -3.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | C360 W372 H389 E390 | C360-G392 WeakPolarHBondContact CB-O 3.44Å; W372-G392 PolarHBondContact NE1-O 2.86Å; H389-G392 PolarHBondContact O-N 3.34Å; E390-G392 PolarHBondContact O-N 3.46Å |
| 393 | T | 90 | Very high | 85.9 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 131.9 | 177.1 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | L357 L358 D359 H389 N391 | L357-T393 HydrophobicContact CB-CG2 3.99Å; L357-T393 HydrophobicContact CD2-CG2 4.22Å; L358-T393 WeakPolarHBondContact O-CA 3.49Å; D359-T393 WeakPolarHBondContact OD1-CB 3.31Å; D359-T393 WeakPolarHBondContact OD1-CG2 3.07Å; D359-T393 PolarHBondContact OD1-OG1 3.35Å; H389-T393 PolarHBondContact N-O 2.92Å; N391-T393 PolarHBondContact ND2-OG1 2.73Å; N391-T393 VanDerWaalsContact OD1-CB 3.3Å; N391-T393 WeakPolarHBondContact OD1-CB 3.31Å; N391-T393 PolarHBondContact OD1-N 2.88Å; N391-T393 VanDerWaalsContact OD1-N 3.08Å; N391-T393 PolarHBondContact OD1-OG1 2.96Å |
| 394 | L | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 116.1 | 169.2 | 175.8 | 68 | 0 | 0 | 0 | 109.5 | L357 L358 W372 I380 Y386 I388 I396 Y407 | L357-L394 WeakPolarHBondContact CA-O 3.46Å; L358-L394 HydrophobicContact CB-CB 4.42Å; L358-L394 PolarHBondContact N-O 3.25Å; L358-L394 PolarHBondContact O-N 3.29Å; W372-L394 HydrophobicContact CB-CD2 4.24Å; W372-L394 HydrophobicContact CD2-CB 3.74Å; W372-L394 HydrophobicContact CD2-CD2 4Å; W372-L394 HydrophobicContact CD2-CG 4.45Å; W372-L394 VanDerWaalsContact CE2-CB 3.49Å; W372-L394 HydrophobicContact CE3-CB 4.33Å; W372-L394 HydrophobicContact CE3-CD2 4.04Å; W372-L394 HydrophobicContact CG-CB 3.98Å; W372-L394 HydrophobicContact CG-CD2 4.12Å; W372-L394 HydrophobicContact CG-CG 4.45Å; W372-L394 HydrophobicContact CH2-CB 4.44Å; W372-L394 HydrophobicContact CZ2-CB 3.86Å; I380-L394 HydrophobicContact CD1-CD2 3.81Å; I380-L394 HydrophobicContact CG2-CD1 4.05Å; Y386-L394 HydrophobicContact CD1-CD1 4.09Å; I388-L394 HydrophobicContact CG1-CD1 3.9Å; L394-I396 HydrophobicContact CG-CG1 4.43Å; L394-Y407 HydrophobicContact CD2-CD1 3.64Å; L394-Y407 HydrophobicContact CD2-CE1 3.8Å |
| 395 | E | 92.9 | Very high | 87.8 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 133.4 | 164 | -178 | 162.8 | -134.7 | 0 | 0 | 110.4 | R355 A356 L357 Y386 V387 H389 | R355-E395 HydrophobicContact CB-CG 4.45Å; R355-E395 WeakPolarHBondContact CD-OE1 3.46Å; R355-E395 IonicContact NH1-OE1 3.18Å; A356-E395 CarbonylContact O-C 3.57Å; A356-E395 VanDerWaalsContact O-CA 3.32Å; A356-E395 WeakPolarHBondContact O-CA 3.27Å; L357-E395 HydrophobicContact CD2-CB 3.61Å; L357-E395 HydrophobicContact CD2-CG 3.73Å; Y386-E395 WeakPolarHBondContact CA-O 3.24Å; V387-E395 HydrophobicContact CB-CB 4.32Å; V387-E395 PolarHBondContact N-O 2.92Å; V387-E395 PolarHBondContact O-N 2.9Å; H389-E395 IonicContact CE1-OE2 3.53Å; H389-E395 PolarHBondContact CE1-OE2 2.82Å; H389-E395 VanDerWaalsContact CE1-OE2 3.25Å; H389-E395 IonicContact NE2-OE2 2.76Å |
| 396 | I | 93.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 104.1 | 167.5 | -51.2 | -177.3 | 0 | 0 | 0 | 106.1 | R355 A356 L358 Y386 L394 V398 H403 Y407 L424 | R355-I396 WeakPolarHBondContact CA-O 3.43Å; A356-I396 HydrophobicContact CB-CB 4.06Å; A356-I396 HydrophobicContact CB-CD1 4.36Å; A356-I396 HydrophobicContact CB-CG1 4.35Å; A356-I396 PolarHBondContact N-O 3.18Å; A356-I396 PolarHBondContact O-N 2.84Å; L358-I396 HydrophobicContact CD1-CD1 3.92Å; L358-I396 HydrophobicContact CD1-CG1 4.13Å; Y386-I396 HydrophobicContact CD1-CB 4.47Å; Y386-I396 HydrophobicContact CD1-CG1 3.91Å; Y386-I396 HydrophobicContact CD1-CG2 4.4Å; Y386-I396 HydrophobicContact CE1-CB 4.47Å; Y386-I396 HydrophobicContact CE1-CD1 4Å; Y386-I396 HydrophobicContact CE1-CG1 3.82Å; Y386-I396 HydrophobicContact CE1-CG2 4.1Å; L394-I396 HydrophobicContact CG-CG1 4.43Å; I396-V398 PolarHBondContact O-N 2.84Å; I396-V398 VanDerWaalsContact O-N 3.07Å; I396-H403 HydrophobicContact CD1-CB 4.49Å; I396-H403 WeakPolarHBondContact CG2-ND1 3.3Å; I396-Y407 HydrophobicContact CD1-CE1 4.18Å; I396-Y407 WeakPolarHBondContact CD1-OH 3.4Å; I396-L424 HydrophobicContact CD1-CD2 3.57Å |
| 397 | N | 86 | Confident | 88.5 | Confident | 53 Ų | 53 | 47.8 Ų | 47.8 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -51 | -39.7 | -168.9 | -62 | -20.3 | 0 | 0 | 0 | 113.2 | D384 S385 V387 | D384-N397 PolarHBondContact O-ND2 2.97Å; S385-N397 PolarHBondContact O-N 3.33Å; V387-N397 WeakPolarHBondContact CG2-OD1 3.38Å |
| 398 | V | 89.2 | Confident | 88.7 | Confident | 67 Ų | 67 | 46.1 Ų | 46.1 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -140 | 106 | 179.1 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | N353 I396 Q400 H403 | N353-V398 HydrophobicContact CB-CG1 4.35Å; I396-V398 PolarHBondContact O-N 2.84Å; I396-V398 VanDerWaalsContact O-N 3.07Å; V398-Q400 PolarHBondContact O-N 2.76Å; V398-H403 PolarHBondContact O-CE1 2.99Å; V398-H403 VanDerWaalsContact O-CE1 3.28Å; V398-H403 PolarHBondContact O-ND1 2.91Å |
| 399 | A | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -66.3 | 129.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V350 N353 H354 A356 V426 | V350-A399 HydrophobicContact CG1-CB 3.59Å; V350-A399 HydrophobicContact CG2-CB 4.08Å; N353-A399 PolarHBondContact N-O 3.33Å; H354-A399 WeakPolarHBondContact O-CB 3.43Å; H354-A399 PolarHBondContact O-N 2.75Å; A356-A399 HydrophobicContact CB-CB 4.44Å; A399-V426 HydrophobicContact CB-CG1 4.11Å; A399-V426 HydrophobicContact CB-CG2 4.18Å | ||
| 400 | Q | 91.5 | Very high | 89.3 | Confident | 65 Ų | 65 | 41.6 Ų | 41.6 | 30% | 0.304 | 23% | 0.225 | S | C | . | . | trans | -126.6 | 154.8 | 176.3 | -67.3 | -59.2 | -28.8 | 0 | 0 | 109.2 | N353 V398 L402 H403 V426 | N353-Q400 PolarHBondContact OD1-NE2 2.7Å; V398-Q400 PolarHBondContact O-N 2.76Å; Q400-L402 PolarHBondContact O-N 2.91Å; Q400-H403 PolarHBondContact N-ND1 2.69Å; Q400-H403 WeakPolarHBondContact O-CA 3.31Å; Q400-H403 WeakPolarHBondContact O-CB 3.33Å; Q400-H403 PolarHBondContact O-N 3Å; Q400-V426 WeakPolarHBondContact O-CG2 3.36Å | ||
| 401 | P | 88.8 | Confident | 90.1 | Very high | 78 Ų | 78 | 32.2 Ų | 32.2 | 51% | 0.506 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -52.2 | -34.8 | -179.8 | -29.3 | 36.6 | 0 | 0 | 0 | 113.8 | M352 H403 S404 | M352-P401 HydrophobicContact SD-CG 3.99Å; P401-H403 VanDerWaalsContact C-N 3.26Å; P401-H403 PolarHBondContact O-N 2.79Å; P401-S404 VanDerWaalsContact O-CB 3.28Å; P401-S404 WeakPolarHBondContact O-CB 3.43Å; P401-S404 PolarHBondContact O-N 3.21Å; P401-S404 VanDerWaalsContact O-N 3.14Å; P401-S404 PolarHBondContact O-OG 2.72Å |
| 402 | L | 88.9 | Confident | 90.8 | Very high | 148 Ų | 148 | 31.7 Ų | 31.7 | 78% | 0.775 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -65.2 | -21.6 | 175.8 | -173.1 | 63.7 | 0 | 0 | 0 | 114.4 | Q400 S404 | Q400-L402 PolarHBondContact O-N 2.91Å; L402-S404 VanDerWaalsContact C-N 3.28Å |
| 403 | H | 90.7 | Very high | 91 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 12% | 0.12 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -77.2 | -14.5 | 175 | -58.3 | 164.5 | 0 | 0 | 0 | 112 | K374 I396 V398 Q400 P401 Y407 L424 | K374-H403 VanDerWaalsContact CE-O 3.22Å; K374-H403 WeakPolarHBondContact CE-O 3.26Å; I396-H403 HydrophobicContact CD1-CB 4.49Å; I396-H403 WeakPolarHBondContact CG2-ND1 3.3Å; V398-H403 PolarHBondContact O-CE1 2.99Å; V398-H403 VanDerWaalsContact O-CE1 3.28Å; V398-H403 PolarHBondContact O-ND1 2.91Å; Q400-H403 PolarHBondContact N-ND1 2.69Å; Q400-H403 WeakPolarHBondContact O-CA 3.31Å; Q400-H403 WeakPolarHBondContact O-CB 3.33Å; Q400-H403 PolarHBondContact O-N 3Å; P401-H403 VanDerWaalsContact C-N 3.26Å; P401-H403 PolarHBondContact O-N 2.79Å; H403-Y407 VanDerWaalsContact O-CE2 3.27Å; H403-Y407 WeakPolarHBondContact O-CE2 3.47Å; H403-Y407 PolarHBondContact O-OH 2.92Å; H403-L424 HydrophobicContact CB-CD2 4.4Å |
| 404 | S | 91.3 | Very high | 90.5 | Very high | 42 Ų | 42 | 38.6 Ų | 38.6 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | trans | -57.9 | 145.7 | 171 | -46 | 0 | 0 | 0 | 0 | 111.1 | K374 P401 L402 L424 V426 | K374-S404 PolarHBondContact NZ-O 3.46Å; P401-S404 VanDerWaalsContact O-CB 3.28Å; P401-S404 WeakPolarHBondContact O-CB 3.43Å; P401-S404 PolarHBondContact O-N 3.21Å; P401-S404 VanDerWaalsContact O-N 3.14Å; P401-S404 PolarHBondContact O-OG 2.72Å; L402-S404 VanDerWaalsContact C-N 3.28Å; S404-L424 VanDerWaalsContact CA-O 3.27Å; S404-L424 WeakPolarHBondContact CA-O 3.46Å; S404-L424 WeakPolarHBondContact CB-O 3.43Å; S404-V426 PolarHBondContact OG-N 2.78Å | ||
| 405 | G | 90.9 | Very high | 90 | Very high | 25 Ų | 25 | 43 Ų | 43 | 26% | 0.258 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.2 | -163.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L424 | G405-L424 PolarHBondContact N-O 2.93Å; G405-L424 PolarHBondContact O-N 3.04Å |
| 406 | K | 93.3 | Very high | 89.7 | Confident | 58 Ų | 58 | 43 Ų | 43 | 25% | 0.252 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134 | 177.9 | -162.9 | -171.9 | 74.3 | 147.8 | 0 | 110.4 | D375 D421 F423 | D375-K406 PolarHBondContact N-O 3.22Å; D375-K406 PolarHBondContact OD1-N 2.92Å; K406-D421 HydrophobicContact CD-CB 4.2Å; K406-D421 WeakPolarHBondContact CE-OD1 3.48Å; K406-D421 IonicContact NZ-OD1 3.37Å; K406-D421 PolarHBondContact NZ-OD1 2.79Å; K406-D421 IonicContact NZ-OD2 3.71Å; K406-D421 PolarHBondContact NZ-OD2 2.86Å; K406-F423 HydrophobicContact CB-CD1 4.03Å; K406-F423 HydrophobicContact CB-CE1 3.78Å; K406-F423 HydrophobicContact CD-CE1 4.05Å; K406-F423 HydrophobicContact CD-CZ 3.96Å; K406-F423 HydrophobicContact CG-CD1 4.03Å; K406-F423 HydrophobicContact CG-CE1 3.61Å; K406-F423 HydrophobicContact CG-CE2 4.48Å; K406-F423 HydrophobicContact CG-CZ 3.87Å |
| 407 | Y | 93.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.9 | 173 | -72 | -103.2 | 0 | 0 | 0 | 109 | L358 F373 K374 I380 Y386 L394 I396 H403 V422 L424 | L358-Y407 HydrophobicContact CD2-CD1 4.25Å; L358-Y407 HydrophobicContact CD2-CD2 3.82Å; L358-Y407 HydrophobicContact CD2-CE2 4.45Å; L358-Y407 HydrophobicContact CD2-CG 3.72Å; F373-Y407 CarbonylContact O-C 3.51Å; F373-Y407 WeakPolarHBondContact O-CA 3.46Å; K374-Y407 HydrophobicContact CB-CD1 4.44Å; K374-Y407 HydrophobicContact CB-CE1 4.19Å; K374-Y407 HydrophobicContact CD-CE1 4.17Å; K374-Y407 HydrophobicContact CD-CE2 4.26Å; K374-Y407 WeakPolarHBondContact CD-OH 3.46Å; K374-Y407 WeakPolarHBondContact CE-OH 3.37Å; K374-Y407 HydrophobicContact CG-CD1 4.34Å; K374-Y407 HydrophobicContact CG-CE1 3.93Å; K374-Y407 HydrophobicContact CG-CE2 4.13Å; I380-Y407 HydrophobicContact CD1-CD1 3.64Å; I380-Y407 HydrophobicContact CD1-CE1 3.52Å; Y386-Y407 HydrophobicContact CE1-CE1 4.33Å; L394-Y407 HydrophobicContact CD2-CD1 3.64Å; L394-Y407 HydrophobicContact CD2-CE1 3.8Å; I396-Y407 HydrophobicContact CD1-CE1 4.18Å; I396-Y407 WeakPolarHBondContact CD1-OH 3.4Å; H403-Y407 VanDerWaalsContact O-CE2 3.27Å; H403-Y407 WeakPolarHBondContact O-CE2 3.47Å; H403-Y407 PolarHBondContact O-OH 2.92Å; Y407-V422 PolarHBondContact N-O 3.09Å; Y407-V422 WeakPolarHBondContact O-CG2 3.23Å; Y407-V422 PolarHBondContact O-N 2.9Å; Y407-V422 VanDerWaalsContact O-O 3.1Å; Y407-L424 HydrophobicContact CD2-CB 4.24Å; Y407-L424 HydrophobicContact CE2-CB 4.03Å; Y407-L424 HydrophobicContact CE2-CD2 4.19Å |
| 408 | T | 93.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.5 | 175.1 | -49 | 0 | 0 | 0 | 0 | 108.1 | W372 F373 E419 N420 D421 | W372-T408 CarbonylContact C-O 3.56Å; W372-T408 WeakPolarHBondContact CA-O 2.99Å; F373-T408 PolarHBondContact N-O 2.92Å; F373-T408 PolarHBondContact O-N 2.86Å; T408-E419 HydrophobicContact CG2-CB 4.24Å; T408-N420 CarbonylContact C-O 3.53Å; T408-N420 WeakPolarHBondContact CA-O 3.27Å; T408-D421 WeakPolarHBondContact CB-OD1 3.04Å; T408-D421 WeakPolarHBondContact CG2-OD1 3.48Å; T408-D421 PolarHBondContact OG1-OD1 3.48Å |
| 409 | C | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 148 | 171 | 80.3 | 0 | 0 | 0 | 0 | 110.6 | C360 A371 W372 E419 N420 | C360-C409 HydrophobicContact CB-CB 3.49Å; C360-C409 VanDerWaalsContact CB-CB 3.49Å; C360-C409 WeakPolarHBondContact CB-SG 3.15Å; C360-C409 WeakPolarHBondContact SG-CB 3.38Å; C360-C409 CovalentContact SG-SG 2.04Å; C360-C409 PolarHBondContact SG-SG 3.07Å; A371-C409 CarbonylContact O-C 3.58Å; A371-C409 WeakPolarHBondContact O-CA 3.45Å; W372-C409 HydrophobicContact CD2-CB 3.61Å; W372-C409 HydrophobicContact CE3-CB 3.63Å; W372-C409 HydrophobicContact CG-CB 4.4Å; W372-C409 HydrophobicContact CH2-CB 3.69Å; W372-C409 HydrophobicContact CZ2-CB 3.65Å; W372-C409 HydrophobicContact CZ3-CB 3.67Å; C409-E419 CarbonylContact O-C 3.57Å; C409-E419 VanDerWaalsContact O-CA 3.25Å; C409-E419 WeakPolarHBondContact O-CA 3.47Å; C409-N420 PolarHBondContact N-O 3.2Å; C409-N420 PolarHBondContact O-N 3.17Å |
| 410 | T | 91.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 123.5 | -176.6 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | I370 A371 F373 F417 K418 E419 | I370-T410 WeakPolarHBondContact CA-O 3.35Å; A371-T410 PolarHBondContact N-O 2.96Å; A371-T410 PolarHBondContact O-N 2.99Å; A371-T410 PolarHBondContact O-OG1 2.89Å; F373-T410 HydrophobicContact CD2-CG2 3.97Å; F373-T410 HydrophobicContact CE2-CG2 3.76Å; T410-F417 HydrophobicContact CG2-CE2 4.01Å; T410-F417 HydrophobicContact CG2-CZ 3.66Å; T410-K418 CarbonylContact C-O 3.51Å; T410-K418 VanDerWaalsContact CA-O 3.26Å; T410-K418 WeakPolarHBondContact CA-O 3.45Å; T410-E419 HydrophobicContact CG2-CB 3.98Å |
| 411 | A | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | P338 V340 P368 I370 F417 K418 | P338-A411 HydrophobicContact CB-CB 4.01Å; P338-A411 WeakPolarHBondContact CB-O 3.21Å; V340-A411 HydrophobicContact CG2-CB 4.04Å; P368-A411 HydrophobicContact CB-CB 4.09Å; P368-A411 HydrophobicContact CG-CB 4.38Å; I370-A411 HydrophobicContact CD1-CB 3.49Å; I370-A411 VanDerWaalsContact CD1-CB 3.49Å; A411-F417 CarbonylContact O-C 3.54Å; A411-F417 WeakPolarHBondContact O-CA 3.43Å; A411-K418 PolarHBondContact N-O 3.36Å; A411-K418 PolarHBondContact O-N 2.76Å |
| 412 | T | 89.9 | Confident | 90.5 | Very high | 48 Ų | 48 | 50.1 Ų | 50.1 | 29% | 0.294 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.6 | -171.8 | -42.7 | 0 | 0 | 0 | 0 | 111.5 | P368 T369 F417 | P368-T412 CarbonylContact C-O 3.57Å; P368-T412 WeakPolarHBondContact CA-O 3.46Å; T369-T412 PolarHBondContact N-O 3.41Å; T369-T412 PolarHBondContact O-N 2.93Å; T369-T412 PolarHBondContact OG1-O 3.23Å; T412-F417 HydrophobicContact CG2-CD2 4.33Å; T412-F417 WeakPolarHBondContact OG1-CD2 3.21Å |
| 413 | N | 86.6 | Confident | 90.7 | Very high | 22 Ų | 22 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | -176.2 | 162.4 | 76 | 8.8 | 0 | 0 | 0 | 110.7 | E336 P338 P366 P368 L415 G416 | E336-N413 PolarHBondContact O-ND2 2.9Å; P338-N413 WeakPolarHBondContact CD-OD1 3.45Å; P338-N413 HydrophobicContact CG-CB 4.2Å; P366-N413 PolarHBondContact O-ND2 2.87Å; P368-N413 HydrophobicContact CB-CB 4.48Å; N413-L415 PolarHBondContact O-N 2.86Å; N413-L415 WeakPolarHBondContact OD1-CA 3.35Å; N413-L415 WeakPolarHBondContact OD1-CB 3.22Å; N413-L415 PolarHBondContact OD1-N 3.06Å; N413-G416 PolarHBondContact N-O 2.69Å; N413-G416 PolarHBondContact O-N 2.86Å; N413-G416 VanDerWaalsContact O-O 3.11Å; N413-G416 PolarHBondContact OD1-N 2.86Å |
| 414 | N | 80.6 | Confident | 90.8 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 68% | 0.679 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -6.2 | -179.5 | 63.5 | -16 | 0 | 0 | 0 | 114.7 | P366 | P366-N414 WeakPolarHBondContact CD-OD1 3.46Š|
| 415 | L | 81.1 | Confident | 90.9 | Very high | 93 Ų | 93 | 46.4 Ų | 46.4 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -11.4 | 177.7 | -60.4 | 175.4 | 0 | 0 | 0 | 113.8 | A335 A337 N413 | A335-L415 HydrophobicContact CB-CD1 4.06Å; A337-L415 HydrophobicContact CB-CB 3.87Å; N413-L415 PolarHBondContact O-N 2.86Å; N413-L415 WeakPolarHBondContact OD1-CA 3.35Å; N413-L415 WeakPolarHBondContact OD1-CB 3.22Å; N413-L415 PolarHBondContact OD1-N 3.06Å |
| 416 | G | 86.9 | Confident | 91 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.3 | -169.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | P338 N413 | P338-G416 VanDerWaalsContact CD-C 3.44Å; P338-G416 WeakPolarHBondContact CD-O 3.49Å; P338-G416 WeakPolarHBondContact CG-O 3.06Å; N413-G416 PolarHBondContact N-O 2.69Å; N413-G416 PolarHBondContact O-N 2.86Å; N413-G416 VanDerWaalsContact O-O 3.11Å; N413-G416 PolarHBondContact OD1-N 2.86Å |
| 417 | F | 90.7 | Very high | 90.8 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 45% | 0.452 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.6 | -175 | 173.1 | -86.9 | 0 | 0 | 0 | 110.7 | T410 A411 T412 E419 | T410-F417 HydrophobicContact CG2-CE2 4.01Å; T410-F417 HydrophobicContact CG2-CZ 3.66Å; A411-F417 CarbonylContact O-C 3.54Å; A411-F417 WeakPolarHBondContact O-CA 3.43Å; T412-F417 HydrophobicContact CG2-CD2 4.33Å; T412-F417 WeakPolarHBondContact OG1-CD2 3.21Å; F417-E419 HydrophobicContact CE1-CB 4.09Å; F417-E419 HydrophobicContact CE1-CG 4.47Å; F417-E419 HydrophobicContact CZ-CB 4.29Å |
| 418 | K | 92.3 | Very high | 90.5 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 51% | 0.509 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 155.8 | 167.7 | -72.8 | -61.5 | 179.7 | -175.5 | 0 | 111.4 | P338 V340 T410 A411 | P338-K418 WeakPolarHBondContact O-CG 3.27Å; V340-K418 HydrophobicContact CG2-CB 4.1Å; T410-K418 CarbonylContact C-O 3.51Å; T410-K418 VanDerWaalsContact CA-O 3.26Å; T410-K418 WeakPolarHBondContact CA-O 3.45Å; A411-K418 PolarHBondContact N-O 3.36Å; A411-K418 PolarHBondContact O-N 2.76Å |
| 419 | E | 92.8 | Very high | 90.2 | Very high | 132 Ų | 132 | 49.4 Ų | 49.4 | 62% | 0.617 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.1 | 177.2 | 65.3 | -167.8 | 175.6 | 0 | 0 | 110.9 | T408 C409 T410 F417 | T408-E419 HydrophobicContact CG2-CB 4.24Å; C409-E419 CarbonylContact O-C 3.57Å; C409-E419 VanDerWaalsContact O-CA 3.25Å; C409-E419 WeakPolarHBondContact O-CA 3.47Å; T410-E419 HydrophobicContact CG2-CB 3.98Å; F417-E419 HydrophobicContact CE1-CB 4.09Å; F417-E419 HydrophobicContact CE1-CG 4.47Å; F417-E419 HydrophobicContact CZ-CB 4.29Å |
| 420 | N | 92.7 | Very high | 90 | Very high | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 139 | 174.1 | -171 | 55.9 | 0 | 0 | 0 | 111.2 | V340 T342 L343 P344 T408 C409 | V340-N420 HydrophobicContact CB-CB 4.16Å; V340-N420 HydrophobicContact CG1-CB 3.68Å; V340-N420 HydrophobicContact CG2-CB 4.34Å; T342-N420 PolarHBondContact O-ND2 2.85Å; L343-N420 PolarHBondContact O-ND2 3.26Å; L343-N420 VanDerWaalsContact O-ND2 3.16Å; P344-N420 WeakPolarHBondContact CA-OD1 3.43Å; P344-N420 WeakPolarHBondContact CB-OD1 3.15Å; T408-N420 CarbonylContact C-O 3.53Å; T408-N420 WeakPolarHBondContact CA-O 3.27Å; C409-N420 PolarHBondContact N-O 3.2Å; C409-N420 PolarHBondContact O-N 3.17Å |
| 421 | D | 93.2 | Very high | 89.8 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 138.8 | 177.2 | -85.1 | -28.2 | 0 | 0 | 0 | 111.8 | N345 K406 T408 | N345-D421 WeakPolarHBondContact CA-O 3.49Å; N345-D421 PolarHBondContact N-O 2.84Å; K406-D421 HydrophobicContact CD-CB 4.2Å; K406-D421 WeakPolarHBondContact CE-OD1 3.48Å; K406-D421 IonicContact NZ-OD1 3.37Å; K406-D421 PolarHBondContact NZ-OD1 2.79Å; K406-D421 IonicContact NZ-OD2 3.71Å; K406-D421 PolarHBondContact NZ-OD2 2.86Å; T408-D421 WeakPolarHBondContact CB-OD1 3.04Å; T408-D421 WeakPolarHBondContact CG2-OD1 3.48Å; T408-D421 PolarHBondContact OG1-OD1 3.48Å |
| 422 | V | 94 | Very high | 89.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 163.2 | 171.1 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | T342 Q346 Y348 L358 W372 Y407 | T342-V422 HydrophobicContact CG2-CG1 4.04Å; Q346-V422 HydrophobicContact CB-CG1 4.12Å; Q346-V422 WeakPolarHBondContact O-CA 3.23Å; Q346-V422 WeakPolarHBondContact O-CB 3.31Å; Y348-V422 HydrophobicContact CD2-CB 4.22Å; Y348-V422 HydrophobicContact CD2-CG2 4.49Å; Y348-V422 HydrophobicContact CE2-CB 3.94Å; Y348-V422 HydrophobicContact CE2-CG1 4.03Å; Y348-V422 HydrophobicContact CE2-CG2 4.29Å; L358-V422 HydrophobicContact CD2-CG2 4.01Å; W372-V422 HydrophobicContact CH2-CG2 4.02Å; W372-V422 HydrophobicContact CZ3-CG2 3.73Å; Y407-V422 PolarHBondContact N-O 3.09Å; Y407-V422 WeakPolarHBondContact O-CG2 3.23Å; Y407-V422 PolarHBondContact O-N 2.9Å; Y407-V422 VanDerWaalsContact O-O 3.1Å |
| 423 | F | 93.4 | Very high | 89.5 | Confident | 74 Ų | 74 | 59.9 Ų | 59.9 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 147.3 | -177.3 | -65.8 | -89.3 | 0 | 0 | 0 | 111.7 | N345 Q346 V347 Y348 K406 | N345-F423 HydrophobicContact CB-CD2 4.34Å; N345-F423 HydrophobicContact CB-CE2 3.91Å; Q346-F423 PolarHBondContact O-N 2.76Å; V347-F423 HydrophobicContact CG2-CB 4.32Å; Y348-F423 PolarHBondContact N-O 2.8Å; K406-F423 HydrophobicContact CB-CD1 4.03Å; K406-F423 HydrophobicContact CB-CE1 3.78Å; K406-F423 HydrophobicContact CD-CE1 4.05Å; K406-F423 HydrophobicContact CD-CZ 3.96Å; K406-F423 HydrophobicContact CG-CD1 4.03Å; K406-F423 HydrophobicContact CG-CE1 3.61Å; K406-F423 HydrophobicContact CG-CE2 4.48Å; K406-F423 HydrophobicContact CG-CZ 3.87Å |
| 424 | L | 93.5 | Very high | 89.6 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 125.9 | 174.1 | -173.8 | 65.8 | 0 | 0 | 0 | 111.2 | Y348 V350 A356 I396 H403 S404 G405 Y407 V426 | Y348-L424 WeakPolarHBondContact O-CA 3.47Å; V350-L424 HydrophobicContact CB-CD1 4.48Å; V350-L424 HydrophobicContact CG1-CD1 3.83Å; V350-L424 HydrophobicContact CG1-CG 4.42Å; A356-L424 HydrophobicContact CB-CD1 4.16Å; A356-L424 HydrophobicContact CB-CD2 4.32Å; I396-L424 HydrophobicContact CD1-CD2 3.57Å; H403-L424 HydrophobicContact CB-CD2 4.4Å; S404-L424 VanDerWaalsContact CA-O 3.27Å; S404-L424 WeakPolarHBondContact CA-O 3.46Å; S404-L424 WeakPolarHBondContact CB-O 3.43Å; G405-L424 PolarHBondContact N-O 2.93Å; G405-L424 PolarHBondContact O-N 3.04Å; Y407-L424 HydrophobicContact CD2-CB 4.24Å; Y407-L424 HydrophobicContact CE2-CB 4.03Å; Y407-L424 HydrophobicContact CE2-CD2 4.19Å; L424-V426 HydrophobicContact CD2-CG2 4.2Å; L424-V426 HydrophobicContact CG-CG2 4.26Å |
| 425 | E | 92.6 | Very high | 90 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118 | 166.7 | -60.6 | 175.8 | -154.8 | 0 | 0 | 109.7 | V347 Y348 R349 V350 K427 | V347-E425 HydrophobicContact CG1-CG 4.05Å; V347-E425 WeakPolarHBondContact CG1-OE1 3.28Å; Y348-E425 PolarHBondContact O-N 2.97Å; R349-E425 WeakPolarHBondContact CA-O 3.36Å; R349-E425 HydrophobicContact CG-CB 4.23Å; R349-E425 IonicContact CZ-OE1 2.83Å; R349-E425 IonicContact CZ-OE2 3.63Å; R349-E425 VanDerWaalsContact NE-CD 3.28Å; R349-E425 IonicContact NE-OE1 2.82Å; R349-E425 PolarHBondContact NE-OE1 2.86Å; R349-E425 IonicContact NE-OE2 2.72Å; R349-E425 PolarHBondContact NE-OE2 2.86Å; R349-E425 IonicContact NH2-OE1 3.8Å; R349-E425 PolarHBondContact NH2-OE1 2.86Å; R349-E425 IonicContact NH2-OE2 3.66Å; V350-E425 PolarHBondContact N-O 3.31Å; E425-K427 WeakPolarHBondContact OE2-CE 3.23Å; E425-K427 IonicContact OE2-NZ 3.36Å; E425-K427 PolarHBondContact OE2-NZ 2.88Å |
| 426 | V | 92.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 125.6 | 170.9 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | V350 M352 A399 Q400 S404 L424 | V350-V426 HydrophobicContact CG1-CB 4.33Å; V350-V426 HydrophobicContact CG1-CG1 4.35Å; V350-V426 HydrophobicContact CG1-CG2 3.79Å; V350-V426 CarbonylContact O-C 3.55Å; V350-V426 WeakPolarHBondContact O-CA 3.22Å; M352-V426 HydrophobicContact CB-CG1 4.03Å; A399-V426 HydrophobicContact CB-CG1 4.11Å; A399-V426 HydrophobicContact CB-CG2 4.18Å; Q400-V426 WeakPolarHBondContact O-CG2 3.36Å; S404-V426 PolarHBondContact OG-N 2.78Å; L424-V426 HydrophobicContact CD2-CG2 4.2Å; L424-V426 HydrophobicContact CG-CG2 4.26Å |
| 427 | K | 91 | Very high | 90.7 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 10% | 0.104 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 160.1 | -173.7 | -58.2 | -64.4 | -179.3 | 176.7 | 0 | 112.8 | V350 I351 M352 E425 D456 T458 L459 L506 | V350-K427 PolarHBondContact O-N 3.01Å; I351-K427 HydrophobicContact CD1-CB 3.71Å; I351-K427 HydrophobicContact CD1-CG 4.48Å; M352-K427 WeakPolarHBondContact CB-O 3.28Å; M352-K427 PolarHBondContact N-O 3.25Å; E425-K427 WeakPolarHBondContact OE2-CE 3.23Å; E425-K427 IonicContact OE2-NZ 3.36Å; E425-K427 PolarHBondContact OE2-NZ 2.88Å; K427-D456 HydrophobicContact CB-CB 4.28Å; K427-D456 WeakPolarHBondContact CD-OD2 3.38Å; K427-T458 WeakPolarHBondContact CE-OG1 3.35Å; K427-T458 PolarHBondContact NZ-OG1 2.85Å; K427-L459 HydrophobicContact CB-CD1 4.36Å; K427-L459 HydrophobicContact CG-CD1 4.44Å; K427-L506 HydrophobicContact CG-CD1 4.05Å |
| 428 | E | 87.5 | Confident | 90.7 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 140.2 | 169.7 | -72.9 | -163.5 | -159.3 | 0 | 0 | 111.7 | K454 D456 | E428-K454 IonicContact OE2-NZ 2.75Å; E428-K454 PolarHBondContact OE2-NZ 3.49Å; E428-D456 HydrophobicContact CB-CB 4.18Å; E428-D456 PolarHBondContact N-OD2 2.88Å |
| 429 | P | 86.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 59 Ų | 59 | 12% | 0.123 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 140 | 177.9 | 28.9 | -34.1 | 0 | 0 | 0 | 112.3 | I351 M352 D507 | I351-P429 VanDerWaalsContact CG2-CA 3.44Å; I351-P429 HydrophobicContact CG2-CB 3.5Å; I351-P429 VanDerWaalsContact CG2-CB 3.5Å; M352-P429 HydrophobicContact CE-CG 4.4Å; P429-D507 WeakPolarHBondContact CA-OD2 3.06Å |
| 430 | T | 87.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.049 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -66 | 136.6 | 167 | -55.2 | 0 | 0 | 0 | 0 | 110 | V453 K454 H455 T502 T504 D507 | T430-V453 HydrophobicContact CG2-CG1 3.74Å; T430-K454 CarbonylContact C-O 3.5Å; T430-K454 VanDerWaalsContact CA-O 3.28Å; T430-K454 WeakPolarHBondContact CA-O 3.3Å; T430-H455 HydrophobicContact CG2-CB 4.27Å; T430-T502 HydrophobicContact CG2-CG2 3.71Å; T430-T504 HydrophobicContact CG2-CG2 4.35Å; T430-T504 WeakPolarHBondContact OG1-CG2 3.35Å; T430-D507 VanDerWaalsContact CB-OD1 3.29Å; T430-D507 WeakPolarHBondContact CB-OD1 3.42Å; T430-D507 WeakPolarHBondContact CB-OD2 3.37Å; T430-D507 PolarHBondContact N-OD2 2.84Å; T430-D507 PolarHBondContact OG1-OD1 2.73Å; T430-D507 PolarHBondContact OG1-OD2 2.75Å |
| 431 | R | 87.1 | Confident | 89.5 | Confident | 136 Ų | 136 | 59 Ų | 59 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 135.3 | -177.8 | -64.5 | -173.2 | -178.3 | -173.3 | -0.8 | 112.6 | L433 V453 K454 D509 | R431-L433 PolarHBondContact O-N 2.82Å; R431-V453 WeakPolarHBondContact O-CA 3.44Å; R431-K454 PolarHBondContact N-O 3.37Å; R431-K454 PolarHBondContact O-N 2.76Å; R431-D509 WeakPolarHBondContact CA-OD2 3.49Å |
| 432 | I | 88 | Confident | 88.7 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 110.4 | 168.1 | -63.1 | 166.3 | 0 | 0 | 0 | 108.8 | T434 Q435 K452 V453 T502 D509 A511 | I432-T434 WeakPolarHBondContact CG2-O 3.4Å; I432-Q435 HydrophobicContact CG2-CG 3.79Å; I432-K452 CarbonylContact C-O 3.56Å; I432-K452 VanDerWaalsContact CA-O 3.29Å; I432-K452 WeakPolarHBondContact CA-O 3.11Å; I432-V453 HydrophobicContact CG1-CG2 4.23Å; I432-T502 HydrophobicContact CD1-CG2 4.45Å; I432-T502 HydrophobicContact CG1-CG2 4.03Å; I432-D509 HydrophobicContact CD1-CB 4.36Å; I432-D509 HydrophobicContact CG1-CB 4.31Å; I432-D509 PolarHBondContact N-OD2 3.37Å; I432-A511 HydrophobicContact CD1-CB 3.89Å; I432-A511 HydrophobicContact CG2-CB 4.37Å |
| 433 | L | 87.8 | Confident | 87.9 | Confident | 117 Ų | 117 | 69 Ų | 69 | 61% | 0.613 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -27.8 | 178.8 | -64.2 | -172.9 | 0 | 0 | 0 | 113.4 | R431 K452 K454 | R431-L433 PolarHBondContact O-N 2.82Å; L433-K452 PolarHBondContact N-O 2.83Å; L433-K454 HydrophobicContact CD1-CB 3.98Å; L433-K454 HydrophobicContact CD2-CB 4.13Å; L433-K454 HydrophobicContact CG-CB 4Å |
| 434 | T | 89.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 67 Ų | 67 | 35% | 0.35 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 117.1 | 178.2 | -58.7 | 0 | 0 | 0 | 0 | 106.8 | I432 C451 K452 | I432-T434 WeakPolarHBondContact CG2-O 3.4Å; T434-C451 VanDerWaalsContact O-CA 3.28Å; T434-C451 WeakPolarHBondContact O-CA 3.47Å; T434-K452 PolarHBondContact N-O 3.31Å; T434-K452 PolarHBondContact O-N 2.78Å |
| 435 | Q | 89.2 | Confident | 86.4 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.561 | 35% | 0.346 | S | S | * | . | trans | -94.6 | 150.9 | -176.1 | -66 | -175.6 | -14.9 | 0 | 0 | 110.9 | I432 E450 A511 | I432-Q435 HydrophobicContact CG2-CG 3.79Å; Q435-E450 CarbonylContact C-O 3.49Å; Q435-A511 HydrophobicContact CB-CB 3.96Å; Q435-A511 HydrophobicContact CG-CB 3.65Å | ||
| 436 | P | 90.3 | Very high | 86 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.065 | 35% | 0.354 | C | S | . | . | trans | -61.3 | 150.7 | 174.5 | 26.6 | -35.3 | 0 | 0 | 0 | 111.2 | F449 E450 W465 A511 A513 | P436-F449 HydrophobicContact CB-CB 3.98Å; P436-F449 HydrophobicContact CB-CD1 3.88Å; P436-F449 HydrophobicContact CB-CG 4.33Å; P436-E450 VanDerWaalsContact CA-O 3.26Å; P436-E450 WeakPolarHBondContact CA-O 3.42Å; P436-E450 VanDerWaalsContact N-O 3.08Å; P436-W465 HydrophobicContact CB-CH2 4.04Å; P436-W465 HydrophobicContact CB-CZ3 4.14Å; P436-W465 HydrophobicContact CG-CH2 4.29Å; P436-W465 HydrophobicContact CG-CZ3 4.24Å; P436-A511 HydrophobicContact CG-CB 4.38Å; P436-A511 WeakPolarHBondContact CG-O 3.44Å; P436-A513 HydrophobicContact CB-CB 3.85Å; P436-A513 HydrophobicContact CG-CB 4.23Å | ||
| 437 | T | 91.6 | Very high | 85.7 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 50% | 0.497 | 35% | 0.349 | S | S | . | . | trans | -123.7 | 141 | -174.8 | 47.8 | 0 | 0 | 0 | 0 | 111.4 | K439 F449 | T437-K439 WeakPolarHBondContact O-CD 3.48Å; T437-K439 WeakPolarHBondContact O-CE 3.38Å; T437-K439 WeakPolarHBondContact O-CG 3.21Å; T437-K439 PolarHBondContact O-N 3.18Å; T437-K439 PolarHBondContact OG1-NZ 3.35Å; T437-F449 VanDerWaalsContact O-CE1 3.3Å; T437-F449 WeakPolarHBondContact O-CE1 3.32Å | ||
| 438 | Y | 90.3 | Very high | 85.8 | Confident | 137 Ų | 137 | 74.1 Ų | 74.1 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | trans | -47.7 | 132.4 | -179.9 | 166 | -93.3 | 0 | 0 | 0 | 112.3 | K440 T514 T516 | Y438-K440 HydrophobicContact CE1-CB 4.28Å; Y438-T514 WeakPolarHBondContact CA-O 3.28Å; Y438-T514 VanDerWaalsContact CD2-O 3.23Å; Y438-T514 WeakPolarHBondContact CD2-O 3.24Å; Y438-T516 HydrophobicContact CE2-CG2 4.01Å; Y438-T516 PolarHBondContact OH-OG1 2.93Å | ||
| 439 | K | 84.4 | Confident | 85.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 29% | 0.287 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.1 | 178 | -56.3 | -54.5 | -177.2 | -164.3 | 0 | 111.1 | T437 V441 L448 F449 T514 L515 T516 | T437-K439 WeakPolarHBondContact O-CD 3.48Å; T437-K439 WeakPolarHBondContact O-CE 3.38Å; T437-K439 WeakPolarHBondContact O-CG 3.21Å; T437-K439 PolarHBondContact O-N 3.18Å; T437-K439 PolarHBondContact OG1-NZ 3.35Å; K439-V441 HydrophobicContact CB-CG2 4.16Å; K439-L448 WeakPolarHBondContact CE-O 3.39Å; K439-F449 HydrophobicContact CB-CE1 4.34Å; K439-F449 HydrophobicContact CB-CZ 4.26Å; K439-F449 HydrophobicContact CG-CD1 4.2Å; K439-F449 HydrophobicContact CG-CE1 3.66Å; K439-F449 HydrophobicContact CG-CZ 3.94Å; K439-T514 PolarHBondContact N-O 3.28Å; K439-L515 HydrophobicContact CB-CD1 3.83Å; K439-L515 WeakPolarHBondContact O-CA 3.33Å; K439-T516 PolarHBondContact O-N 3.36Å; K439-T516 PolarHBondContact O-OG1 2.77Å |
| 440 | K | 84.9 | Confident | 86.2 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 57% | 0.574 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 122.2 | 165.5 | -175.8 | 174 | -176.9 | -179.6 | 0 | 108.1 | Y438 T516 V518 | Y438-K440 HydrophobicContact CE1-CB 4.28Å; K440-T516 WeakPolarHBondContact CA-O 3.3Å; K440-V518 HydrophobicContact CG-CG2 4.46Å |
| 441 | V | 83 | Confident | 86.2 | Confident | 18 Ų | 18 | 72.9 Ų | 72.9 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 148.7 | -167.7 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | K439 M445 A447 V490 L515 T516 V517 V518 | K439-V441 HydrophobicContact CB-CG2 4.16Å; V441-M445 HydrophobicContact CG1-CB 3.58Å; V441-A447 HydrophobicContact CG2-CB 4.04Å; V441-V490 HydrophobicContact CG1-CB 4.18Å; V441-V490 HydrophobicContact CG1-CG1 4.45Å; V441-V490 HydrophobicContact CG1-CG2 4.29Å; V441-L515 HydrophobicContact CB-CD1 4Å; V441-L515 HydrophobicContact CG2-CD1 3.59Å; V441-T516 PolarHBondContact N-O 3.01Å; V441-V517 WeakPolarHBondContact O-CA 3.35Å; V441-V518 PolarHBondContact O-N 2.83Å |
| 442 | Q | 76.3 | Confident | 86.3 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 48% | 0.477 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 150 | 174.9 | -75.4 | 175.2 | -65.4 | 0 | 0 | 110 | G444 M445 V518 | Q442-G444 PolarHBondContact O-N 3.42Å; Q442-M445 HydrophobicContact CB-CG 4.17Å; Q442-M445 WeakPolarHBondContact O-CB 3.1Å; Q442-M445 PolarHBondContact O-N 3.36Å; Q442-V518 WeakPolarHBondContact CA-O 3.45Å; Q442-V518 HydrophobicContact CG-CG2 4.01Å |
| 443 | R | 78.9 | Confident | 86.3 | Confident | 152 Ų | 152 | 70.8 Ų | 70.8 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 124.8 | -179.6 | -171.8 | 172.9 | 177.8 | 154.1 | -3.9 | 110.7 | V490 D492 V517 V518 | R443-V490 CarbonylContact C-O 3.59Å; R443-V490 VanDerWaalsContact CA-O 3.28Å; R443-V490 WeakPolarHBondContact CA-O 3.39Å; R443-D492 WeakPolarHBondContact CD-OD2 3.19Å; R443-D492 IonicContact CZ-OD2 2.81Å; R443-D492 IonicContact NE-OD2 3.2Å; R443-D492 IonicContact NH1-OD2 2.6Å; R443-D492 PolarHBondContact NH1-OD2 3.09Å; R443-V517 HydrophobicContact CB-CG1 4.14Å; R443-V518 PolarHBondContact N-O 3.25Å |
| 444 | G | 71.1 | Confident | 86.4 | Confident | 33 Ų | 33 | 70 Ų | 70 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | -6.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q442 D489 V490 | Q442-G444 PolarHBondContact O-N 3.42Å; G444-D489 WeakPolarHBondContact CA-OD1 3.34Å; G444-V490 PolarHBondContact N-O 2.93Å |
| 445 | M | 84.3 | Confident | 86.1 | Confident | 116 Ų | 116 | 70 Ų | 70 | 57% | 0.571 | 34% | 0.339 | S | S | * | . | trans | -85 | 162 | 171.4 | -64.8 | -62.4 | -64.9 | 0 | 0 | 110.9 | V441 Q442 V490 | V441-M445 HydrophobicContact CG1-CB 3.58Å; Q442-M445 HydrophobicContact CB-CG 4.17Å; Q442-M445 WeakPolarHBondContact O-CB 3.1Å; Q442-M445 PolarHBondContact O-N 3.36Å; M445-V490 WeakPolarHBondContact O-CB 3.35Å; M445-V490 WeakPolarHBondContact O-CG2 3.43Å; M445-V490 PolarHBondContact O-N 3.37Å | ||
| 446 | S | 83.3 | Confident | 86.1 | Confident | 63 Ų | 63 | 65.4 Ų | 65.4 | 44% | 0.441 | 32% | 0.318 | S | S | . | . | trans | -91.6 | 146.6 | 178.9 | -57.1 | 0 | 0 | 0 | 0 | 113 | I487 | S446-I487 CarbonylContact C-O 3.59Å; S446-I487 VanDerWaalsContact CA-O 3.23Å; S446-I487 WeakPolarHBondContact CA-O 3.49Å | ||
| 447 | A | 86.9 | Confident | 85.8 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 3% | 0.025 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 147 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V441 F449 I486 I487 V490 L515 | V441-A447 HydrophobicContact CG2-CB 4.04Å; A447-F449 HydrophobicContact CB-CE2 4.48Å; A447-I486 CarbonylContact O-C 3.58Å; A447-I486 WeakPolarHBondContact O-CA 3.35Å; A447-I487 HydrophobicContact CB-CB 4.31Å; A447-I487 PolarHBondContact N-O 2.73Å; A447-I487 PolarHBondContact O-N 3.39Å; A447-V490 HydrophobicContact CB-CG2 4.09Å; A447-L515 HydrophobicContact CB-CD1 3.81Å; A447-L515 HydrophobicContact CB-CD2 3.96Å |
| 448 | L | 92.1 | Very high | 85.3 | Confident | 76 Ų | 76 | 75 Ų | 75 | 40% | 0.398 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 128.2 | 172.9 | 164.7 | 63.6 | 0 | 0 | 0 | 109.6 | K439 I486 | K439-L448 WeakPolarHBondContact CE-O 3.39Å; L448-I486 HydrophobicContact CB-CG1 4.42Å; L448-I486 HydrophobicContact CD1-CD1 4.38Å; L448-I486 HydrophobicContact CD1-CG1 3.62Å |
| 449 | F | 91.1 | Very high | 85 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126 | 171.6 | -66.7 | -75.1 | 0 | 0 | 0 | 109.5 | P436 T437 K439 A447 W465 S484 L485 I487 Y498 A513 L515 | P436-F449 HydrophobicContact CB-CB 3.98Å; P436-F449 HydrophobicContact CB-CD1 3.88Å; P436-F449 HydrophobicContact CB-CG 4.33Å; T437-F449 VanDerWaalsContact O-CE1 3.3Å; T437-F449 WeakPolarHBondContact O-CE1 3.32Å; K439-F449 HydrophobicContact CB-CE1 4.34Å; K439-F449 HydrophobicContact CB-CZ 4.26Å; K439-F449 HydrophobicContact CG-CD1 4.2Å; K439-F449 HydrophobicContact CG-CE1 3.66Å; K439-F449 HydrophobicContact CG-CZ 3.94Å; A447-F449 HydrophobicContact CB-CE2 4.48Å; F449-W465 HydrophobicContact CB-CH2 3.54Å; F449-W465 HydrophobicContact CB-CZ3 3.69Å; F449-W465 HydrophobicContact CG-CZ3 4.43Å; F449-S484 CarbonylContact O-C 3.51Å; F449-S484 VanDerWaalsContact O-CA 3.22Å; F449-S484 WeakPolarHBondContact O-CA 3.35Å; F449-S484 WeakPolarHBondContact O-CB 3.29Å; F449-L485 PolarHBondContact N-O 2.76Å; F449-L485 PolarHBondContact O-N 3.37Å; F449-I487 HydrophobicContact CD2-CD1 4.29Å; F449-I487 HydrophobicContact CE2-CD1 3.95Å; F449-Y498 HydrophobicContact CD2-CD2 4.42Å; F449-Y498 HydrophobicContact CD2-CG 4.39Å; F449-Y498 AromaticContact CE2-CD2 3.58Å; F449-Y498 HydrophobicContact CE2-CD2 3.58Å; F449-Y498 HydrophobicContact CE2-CE2 4.32Å; F449-Y498 AromaticContact CE2-CG 3.97Å; F449-Y498 HydrophobicContact CE2-CG 3.97Å; F449-Y498 AromaticContact CZ-CD2 3.98Å; F449-Y498 HydrophobicContact CZ-CD2 3.98Å; F449-A513 HydrophobicContact CD1-CB 3.97Å; F449-A513 HydrophobicContact CE1-CB 3.68Å; F449-L515 HydrophobicContact CE2-CB 4.32Å; F449-L515 HydrophobicContact CZ-CB 3.98Å |
| 450 | E | 91.1 | Very high | 84.9 | Confident | 97 Ų | 97 | 72.8 Ų | 72.8 | 45% | 0.453 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 142.5 | 176.4 | -60.6 | -177.7 | 153.9 | 0 | 0 | 110.3 | Q435 P436 | Q435-E450 CarbonylContact C-O 3.49Å; P436-E450 VanDerWaalsContact CA-O 3.26Å; P436-E450 WeakPolarHBondContact CA-O 3.42Å; P436-E450 VanDerWaalsContact N-O 3.08Å |
| 451 | C | 89.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -148.3 | 98.2 | 175.2 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | T434 M463 W465 E483 C500 | T434-C451 VanDerWaalsContact O-CA 3.28Å; T434-C451 WeakPolarHBondContact O-CA 3.47Å; C451-M463 HydrophobicContact CB-CE 4.29Å; C451-M463 VanDerWaalsContact O-CE 3.3Å; C451-M463 WeakPolarHBondContact O-CE 3.33Å; C451-W465 HydrophobicContact CB-CH2 3.72Å; C451-W465 HydrophobicContact CB-CZ2 3.38Å; C451-E483 CarbonylContact C-O 3.5Å; C451-E483 PolarHBondContact N-O 3.24Å; C451-E483 CarbonylContact O-C 3.5Å; C451-E483 WeakPolarHBondContact O-CA 3.45Å; C451-E483 WeakPolarHBondContact O-CB 3.35Å; C451-C500 HydrophobicContact CB-CB 3.57Å; C451-C500 WeakPolarHBondContact CB-SG 3.3Å; C451-C500 WeakPolarHBondContact SG-CB 3.49Å; C451-C500 CovalentContact SG-SG 2.02Å; C451-C500 PolarHBondContact SG-SG 3.44Å | ||
| 452 | K | 89.3 | Confident | 84.9 | Confident | 79 Ų | 79 | 71.9 Ų | 71.9 | 34% | 0.343 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 142.9 | -172.4 | -56 | -161.1 | 164.6 | -113.3 | 0 | 112.6 | I432 L433 T434 E483 | I432-K452 CarbonylContact C-O 3.56Å; I432-K452 VanDerWaalsContact CA-O 3.29Å; I432-K452 WeakPolarHBondContact CA-O 3.11Å; L433-K452 PolarHBondContact N-O 2.83Å; T434-K452 PolarHBondContact N-O 3.31Å; T434-K452 PolarHBondContact O-N 2.78Å; K452-E483 WeakPolarHBondContact CA-OE1 3Å; K452-E483 VanDerWaalsContact CB-OE1 3.23Å; K452-E483 WeakPolarHBondContact CB-OE1 3.39Å; K452-E483 VanDerWaalsContact CD-OE2 3.3Å; K452-E483 WeakPolarHBondContact CD-OE2 3.2Å; K452-E483 WeakPolarHBondContact CE-OE2 3.11Å; K452-E483 HydrophobicContact CG-CB 4.15Å; K452-E483 HydrophobicContact CG-CG 4.44Å; K452-E483 WeakPolarHBondContact CG-OE2 3.29Å; K452-E483 IonicContact NZ-OE2 2.71Å; K452-E483 PolarHBondContact NZ-OE2 3.48Å |
| 453 | V | 88.6 | Confident | 85.4 | Confident | 28 Ų | 28 | 69 Ų | 69 | 17% | 0.17 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.6 | -165.7 | -179.9 | 0 | 0 | 0 | 0 | 113.6 | T430 R431 I432 M463 E483 T502 | T430-V453 HydrophobicContact CG2-CG1 3.74Å; R431-V453 WeakPolarHBondContact O-CA 3.44Å; I432-V453 HydrophobicContact CG1-CG2 4.23Å; V453-M463 HydrophobicContact CG2-CE 3.51Å; V453-E483 PolarHBondContact N-OE1 3.04Å; V453-E483 VanDerWaalsContact N-OE1 3.1Å; V453-T502 HydrophobicContact CG1-CG2 3.95Å; V453-T502 HydrophobicContact CG2-CG2 3.8Å |
| 454 | K | 87.9 | Confident | 85.9 | Confident | 100 Ų | 100 | 64.6 Ų | 64.6 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.1 | 162.1 | -168.6 | -159.4 | 175.8 | -153.6 | 0 | 109.7 | E428 T430 R431 L433 | E428-K454 IonicContact OE2-NZ 2.75Å; E428-K454 PolarHBondContact OE2-NZ 3.49Å; T430-K454 CarbonylContact C-O 3.5Å; T430-K454 VanDerWaalsContact CA-O 3.28Å; T430-K454 WeakPolarHBondContact CA-O 3.3Å; R431-K454 PolarHBondContact N-O 3.37Å; R431-K454 PolarHBondContact O-N 2.76Å; L433-K454 HydrophobicContact CD1-CB 3.98Å; L433-K454 HydrophobicContact CD2-CB 4.13Å; L433-K454 HydrophobicContact CG-CB 4Å |
| 455 | H | 85.6 | Confident | 86.8 | Confident | 58 Ų | 58 | 63.3 Ų | 63.3 | 27% | 0.269 | 33% | 0.326 | S | S | . | . | trans | -140 | 172.6 | 177.9 | 64 | 98.1 | 0 | 0 | 0 | 111.5 | T430 L459 | T430-H455 HydrophobicContact CG2-CB 4.27Å; H455-L459 PolarHBondContact CE1-O 3.47Å; H455-L459 VanDerWaalsContact CE1-O 3.29Å; H455-L459 PolarHBondContact ND1-O 3.43Å | ||
| 456 | D | 88.9 | Confident | 87 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | trans | -69.8 | 133.8 | 169.2 | -173.1 | -66.3 | 0 | 0 | 0 | 111 | K427 E428 T458 L459 | K427-D456 HydrophobicContact CB-CB 4.28Å; K427-D456 WeakPolarHBondContact CD-OD2 3.38Å; E428-D456 HydrophobicContact CB-CB 4.18Å; E428-D456 PolarHBondContact N-OD2 2.88Å; D456-T458 PolarHBondContact O-N 2.87Å; D456-T458 WeakPolarHBondContact OD1-CB 3.24Å; D456-T458 PolarHBondContact OD1-N 2.69Å; D456-T458 PolarHBondContact OD1-OG1 3.02Å; D456-L459 HydrophobicContact CB-CD1 3.96Å; D456-L459 HydrophobicContact CB-CG 4.05Å; D456-L459 PolarHBondContact O-N 3.27Å | ||
| 457 | K | 82.6 | Confident | 87.2 | Confident | 198 Ų | 198 | 58.2 Ų | 58.2 | 86% | 0.861 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14 | -176.5 | -65.4 | -176.3 | 178.1 | -177.5 | 0 | 115 | ||
| 458 | T | 82 | Confident | 86.9 | Confident | 94 Ų | 94 | 61.7 Ų | 61.7 | 58% | 0.577 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 0.6 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | K427 D456 | K427-T458 WeakPolarHBondContact CE-OG1 3.35Å; K427-T458 PolarHBondContact NZ-OG1 2.85Å; D456-T458 PolarHBondContact O-N 2.87Å; D456-T458 WeakPolarHBondContact OD1-CB 3.24Å; D456-T458 PolarHBondContact OD1-N 2.69Å; D456-T458 PolarHBondContact OD1-OG1 3.02Å |
| 459 | L | 82.8 | Confident | 86 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -118.1 | 138.6 | 175.4 | -49.6 | 177.6 | 0 | 0 | 0 | 108.7 | I351 K427 H455 D456 T504 I505 L506 | I351-L459 HydrophobicContact CD1-CD1 3.99Å; K427-L459 HydrophobicContact CB-CD1 4.36Å; K427-L459 HydrophobicContact CG-CD1 4.44Å; H455-L459 PolarHBondContact CE1-O 3.47Å; H455-L459 VanDerWaalsContact CE1-O 3.29Å; H455-L459 PolarHBondContact ND1-O 3.43Å; D456-L459 HydrophobicContact CB-CD1 3.96Å; D456-L459 HydrophobicContact CB-CG 4.05Å; D456-L459 PolarHBondContact O-N 3.27Å; L459-T504 HydrophobicContact CB-CG2 4.23Å; L459-I505 HydrophobicContact CD2-CD1 4.02Å; L459-I505 HydrophobicContact CD2-CG1 3.9Å; L459-L506 HydrophobicContact CD1-CB 4.37Å; L459-L506 HydrophobicContact CD1-CD1 3.97Å; L459-L506 HydrophobicContact CD1-CG 4.49Å; L459-L506 HydrophobicContact CD2-CD1 3.77Å; L459-L506 HydrophobicContact CD2-CG 4.31Å |
| 460 | M | 82.5 | Confident | 85 | Confident | 154 Ų | 154 | 66.2 Ų | 66.2 | 76% | 0.759 | 35% | 0.346 | S | S | * | . | trans | -97.1 | 124.1 | 172 | -63 | -61 | 176.8 | 0 | 0 | 108.9 | ||||
| 461 | P | 84.3 | Confident | 84.4 | Confident | 46 Ų | 46 | 69.9 Ų | 69.9 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | trans | -82.6 | 156.5 | 174.2 | 35.5 | -35.6 | 0 | 0 | 0 | 110.9 | N503 T504 | P461-N503 CarbonylContact C-O 3.59Å; P461-N503 WeakPolarHBondContact CA-O 3.43Å; P461-T504 HydrophobicContact CB-CG2 4.21Å | ||
| 462 | T | 85 | Confident | 84.1 | Confident | 85 Ų | 85 | 71.5 Ų | 71.5 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 146.4 | 166 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | T502 N503 | T462-T502 CarbonylContact O-C 3.29Å; T462-T502 VanDerWaalsContact O-CA 3.28Å; T462-T502 WeakPolarHBondContact O-CA 3.48Å; T462-T502 PolarHBondContact O-OG1 2.79Å; T462-N503 PolarHBondContact N-O 2.8Å; T462-N503 PolarHBondContact O-N 3.36Å; T462-N503 PolarHBondContact OG1-O 2.57Å; T462-N503 VanDerWaalsContact OG1-O 3.08Å |
| 463 | M | 85.5 | Confident | 83.6 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140.9 | 179.2 | -174.2 | 61.7 | 87.2 | 0 | 0 | 109.5 | C451 V453 C500 I501 | C451-M463 HydrophobicContact CB-CE 4.29Å; C451-M463 VanDerWaalsContact O-CE 3.3Å; C451-M463 WeakPolarHBondContact O-CE 3.33Å; V453-M463 HydrophobicContact CG2-CE 3.51Å; M463-C500 PolarHBondContact SD-SG 2.83Å; M463-I501 VanDerWaalsContact SD-O 3.35Å |
| 464 | T | 89.4 | Confident | 82.8 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 37% | 0.368 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 145.3 | 179.9 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | I501 | T464-I501 PolarHBondContact N-O 3.18Å; T464-I501 PolarHBondContact O-N 2.95Å; T464-I501 VanDerWaalsContact O-O 3.05Å |
| 465 | W | 89.9 | Confident | 82.4 | Confident | 7 Ų | 7 | 75.6 Ų | 75.6 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.1 | 175.3 | -70.9 | 81.1 | 0 | 0 | 0 | 110.5 | P436 F449 C451 L472 V480 L485 T499 C500 | P436-W465 HydrophobicContact CB-CH2 4.04Å; P436-W465 HydrophobicContact CB-CZ3 4.14Å; P436-W465 HydrophobicContact CG-CH2 4.29Å; P436-W465 HydrophobicContact CG-CZ3 4.24Å; F449-W465 HydrophobicContact CB-CH2 3.54Å; F449-W465 HydrophobicContact CB-CZ3 3.69Å; F449-W465 HydrophobicContact CG-CZ3 4.43Å; C451-W465 HydrophobicContact CB-CH2 3.72Å; C451-W465 HydrophobicContact CB-CZ2 3.38Å; W465-L472 HydrophobicContact CB-CD1 3.86Å; W465-L472 HydrophobicContact CB-CG 4.33Å; W465-V480 HydrophobicContact CB-CG2 4.19Å; W465-V480 HydrophobicContact CG-CG2 4.35Å; W465-L485 HydrophobicContact CB-CD2 4.13Å; W465-L485 HydrophobicContact CD2-CB 3.49Å; W465-L485 VanDerWaalsContact CD2-CB 3.49Å; W465-L485 HydrophobicContact CD2-CD2 4.02Å; W465-L485 HydrophobicContact CD2-CG 4.38Å; W465-L485 HydrophobicContact CE3-CB 3.77Å; W465-L485 HydrophobicContact CE3-CD2 3.77Å; W465-L485 HydrophobicContact CE3-CG 4.44Å; W465-L485 HydrophobicContact CG-CB 3.9Å; W465-L485 HydrophobicContact CG-CD2 4.21Å; W465-L485 HydrophobicContact CH2-CB 4.16Å; W465-L485 HydrophobicContact CZ2-CB 3.91Å; W465-L485 HydrophobicContact CZ3-CB 4.09Å; W465-L485 HydrophobicContact CZ3-CD2 4.44Å; W465-T499 CarbonylContact C-O 3.58Å; W465-T499 VanDerWaalsContact CA-O 3.32Å; W465-T499 WeakPolarHBondContact CA-O 3.46Å; W465-C500 HydrophobicContact CD2-CB 4Å; W465-C500 HydrophobicContact CE3-CB 3.87Å; W465-C500 HydrophobicContact CH2-CB 3.75Å; W465-C500 HydrophobicContact CZ2-CB 3.86Å; W465-C500 HydrophobicContact CZ3-CB 3.74Å |
| 466 | L | 88.3 | Confident | 81.8 | Confident | 38 Ų | 38 | 81.9 Ų | 81.9 | 20% | 0.199 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149.9 | -179.4 | -63.9 | -175.4 | 0 | 0 | 0 | 110.6 | G470 Y498 T499 I501 | L466-G470 CarbonylContact C-O 3.52Å; L466-G470 VanDerWaalsContact CA-O 3.24Å; L466-G470 WeakPolarHBondContact CA-O 3.46Å; L466-G470 WeakPolarHBondContact CB-O 2.99Å; L466-G470 WeakPolarHBondContact CD2-O 3.26Å; L466-Y498 WeakPolarHBondContact O-CA 3.12Å; L466-T499 PolarHBondContact N-O 3Å; L466-T499 PolarHBondContact O-N 3.08Å; L466-I501 HydrophobicContact CD1-CD1 3.53Å; L466-I501 HydrophobicContact CG-CD1 4.07Å |
| 467 | K | 88.3 | Confident | 81.7 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 14% | 0.143 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123 | 170.2 | -176.6 | -179.6 | -169 | -66.5 | 0 | 109.7 | N469 G470 L472 P473 D493 A495 Y498 | K467-N469 PolarHBondContact O-N 3.22Å; K467-G470 PolarHBondContact N-O 2.89Å; K467-G470 PolarHBondContact O-N 2.82Å; K467-L472 HydrophobicContact CB-CD2 4.04Å; K467-P473 HydrophobicContact CD-CG 4.34Å; K467-D493 WeakPolarHBondContact CE-O 3.38Å; K467-D493 PolarHBondContact NZ-O 2.82Å; K467-D493 VanDerWaalsContact NZ-O 3.12Å; K467-A495 PolarHBondContact NZ-O 3.33Å; K467-Y498 HydrophobicContact CB-CD1 4.14Å; K467-Y498 HydrophobicContact CB-CE1 3.66Å; K467-Y498 HydrophobicContact CD-CE1 3.95Å; K467-Y498 WeakPolarHBondContact CD-OH 3.5Å; K467-Y498 WeakPolarHBondContact CE-OH 3.34Å; K467-Y498 HydrophobicContact CG-CD1 4.36Å; K467-Y498 HydrophobicContact CG-CE1 3.62Å |
| 468 | D | 81.3 | Confident | 81.8 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 41% | 0.406 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.3 | 176.8 | -61.2 | -56.7 | 0 | 0 | 0 | 114.2 | G470 G496 T497 | D468-G470 VanDerWaalsContact C-N 3.33Å; D468-G496 VanDerWaalsContact OD1-CA 3.22Å; D468-G496 WeakPolarHBondContact OD1-CA 3.25Å; D468-G496 WeakPolarHBondContact OD2-CA 3.35Å; D468-T497 PolarHBondContact N-O 2.89Å; D468-T497 PolarHBondContact OD1-N 2.83Å |
| 469 | N | 72.1 | Confident | 81.9 | Confident | 135 Ų | 135 | 73.6 Ų | 73.6 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 8.4 | -173.2 | -39.4 | -84.7 | 0 | 0 | 0 | 116 | K467 | K467-N469 PolarHBondContact O-N 3.22Š|
| 470 | G | 70.9 | Confident | 81.9 | Confident | 36 Ų | 36 | 76.9 Ų | 76.9 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 174.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L466 K467 D468 | L466-G470 CarbonylContact C-O 3.52Å; L466-G470 VanDerWaalsContact CA-O 3.24Å; L466-G470 WeakPolarHBondContact CA-O 3.46Å; L466-G470 WeakPolarHBondContact CB-O 2.99Å; L466-G470 WeakPolarHBondContact CD2-O 3.26Å; K467-G470 PolarHBondContact N-O 2.89Å; K467-G470 PolarHBondContact O-N 2.82Å; D468-G470 VanDerWaalsContact C-N 3.33Å |
| 471 | E | 77.1 | Confident | 81.7 | Confident | 175 Ų | 175 | 70.9 Ų | 70.9 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 156.4 | 171.2 | -64.4 | 176.9 | 159.1 | 0 | 0 | 111.1 | ||
| 472 | L | 82.8 | Confident | 81.2 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 148.6 | 169.2 | -68.5 | 179.6 | 0 | 0 | 0 | 109.8 | W465 K467 D474 F478 V480 L485 Y498 | W465-L472 HydrophobicContact CB-CD1 3.86Å; W465-L472 HydrophobicContact CB-CG 4.33Å; K467-L472 HydrophobicContact CB-CD2 4.04Å; L472-D474 PolarHBondContact O-N 3.04Å; L472-F478 HydrophobicContact CD1-CB 4.37Å; L472-F478 HydrophobicContact CD1-CD1 4.48Å; L472-F478 HydrophobicContact CD2-CD1 3.98Å; L472-F478 HydrophobicContact CD2-CE1 4.36Å; L472-V480 HydrophobicContact CD1-CG2 3.51Å; L472-L485 HydrophobicContact CD1-CD1 3.83Å; L472-L485 HydrophobicContact CD1-CD2 4.34Å; L472-L485 HydrophobicContact CD2-CD2 4.13Å; L472-Y498 HydrophobicContact CD2-CD1 3.92Å; L472-Y498 HydrophobicContact CD2-CE1 3.88Å |
| 473 | P | 78.8 | Confident | 81.2 | Confident | 54 Ų | 54 | 75 Ų | 75 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 138.2 | 169.5 | -23 | 34.5 | 0 | 0 | 0 | 111.1 | K467 D475 F478 | K467-P473 HydrophobicContact CD-CG 4.34Å; P473-D475 HydrophobicContact CB-CB 4.14Å; P473-D475 PolarHBondContact O-N 2.81Å; P473-F478 HydrophobicContact CB-CD2 4.22Å; P473-F478 HydrophobicContact CB-CE2 4Å; P473-F478 HydrophobicContact CG-CD2 4.27Å; P473-F478 HydrophobicContact CG-CE2 3.71Å; P473-F478 HydrophobicContact CG-CZ 3.95Å |
| 474 | D | 73.3 | Confident | 81.3 | Confident | 182 Ų | 182 | 74.7 Ų | 74.7 | 97% | 0.973 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -73.7 | 74.7 | 171.6 | -173.2 | 25.3 | 0 | 0 | 0 | 109.6 | L472 | L472-D474 PolarHBondContact O-N 3.04Š|
| 475 | D | 78.3 | Confident | 81.4 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 31% | 0.305 | 38% | 0.384 | S | S | . | . | trans | -144.6 | 124.4 | -170 | 176.1 | -16.2 | 0 | 0 | 0 | 108.1 | P473 R477 F478 | P473-D475 HydrophobicContact CB-CB 4.14Å; P473-D475 PolarHBondContact O-N 2.81Å; D475-R477 PolarHBondContact O-N 3.38Å; D475-R477 WeakPolarHBondContact OD1-CB 3.49Å; D475-R477 VanDerWaalsContact OD1-CG 3.27Å; D475-R477 WeakPolarHBondContact OD1-CG 3.23Å; D475-R477 PolarHBondContact OD1-N 2.74Å; D475-R477 IonicContact OD1-NE 3Å; D475-R477 PolarHBondContact OD1-NE 2.77Å; D475-R477 IonicContact OD2-CZ 3.85Å; D475-R477 IonicContact OD2-NE 3.33Å; D475-R477 PolarHBondContact OD2-NE 3.46Å; D475-R477 IonicContact OD2-NH2 2.74Å; D475-R477 PolarHBondContact OD2-NH2 3.37Å; D475-F478 HydrophobicContact CB-CD2 4.03Å; D475-F478 HydrophobicContact CB-CE2 4.48Å; D475-F478 PolarHBondContact O-N 2.04Å | ||
| 476 | Q | 73.6 | Confident | 81.5 | Confident | 189 Ų | 189 | 73.5 Ų | 73.5 | 88% | 0.883 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -9.5 | -174.3 | -64.2 | -178 | -6.5 | 0 | 0 | 113.9 | F478 | Q476-F478 VanDerWaalsContact C-N 3.27Å; Q476-F478 PolarHBondContact O-N 2.94Å |
| 477 | R | 86.6 | Confident | 81.7 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 17% | 0.166 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -21 | 169.6 | -63 | 179.2 | -50.6 | 114.6 | 8.8 | 113.3 | D475 E479 I487 R488 D489 D494 | D475-R477 PolarHBondContact O-N 3.38Å; D475-R477 WeakPolarHBondContact OD1-CB 3.49Å; D475-R477 VanDerWaalsContact OD1-CG 3.27Å; D475-R477 WeakPolarHBondContact OD1-CG 3.23Å; D475-R477 PolarHBondContact OD1-N 2.74Å; D475-R477 IonicContact OD1-NE 3Å; D475-R477 PolarHBondContact OD1-NE 2.77Å; D475-R477 IonicContact OD2-CZ 3.85Å; D475-R477 IonicContact OD2-NE 3.33Å; D475-R477 PolarHBondContact OD2-NE 3.46Å; D475-R477 IonicContact OD2-NH2 2.74Å; D475-R477 PolarHBondContact OD2-NH2 3.37Å; R477-E479 PolarHBondContact O-N 3.47Å; R477-I487 CarbonylContact O-C 3.58Å; R477-I487 VanDerWaalsContact O-CA 3.32Å; R477-I487 WeakPolarHBondContact O-CA 3.25Å; R477-R488 HydrophobicContact CB-CB 4.32Å; R477-R488 WeakPolarHBondContact CB-O 3.16Å; R477-R488 WeakPolarHBondContact CD-O 3.36Å; R477-R488 PolarHBondContact NH1-O 3.05Å; R477-R488 PolarHBondContact O-N 3.03Å; R477-D489 PolarHBondContact NH1-O 3.38Å; R477-D494 IonicContact CZ-OD1 3.22Å; R477-D494 IonicContact CZ-OD2 3.4Å; R477-D494 IonicContact NH1-OD1 2.74Å; R477-D494 IonicContact NH1-OD2 2.71Å; R477-D494 PolarHBondContact NH1-OD2 2.81Å; R477-D494 IonicContact NH2-OD1 3.84Å; R477-D494 PolarHBondContact NH2-OD1 2.8Å; R477-D494 IonicContact NH2-OD2 2.58Å; R477-D494 PolarHBondContact NH2-OD2 2.91Å |
| 478 | F | 85.6 | Confident | 81.4 | Confident | 19 Ų | 19 | 75.4 Ų | 75.4 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 83.6 | -179.5 | -72.4 | -89.4 | 0 | 0 | 0 | 111.9 | L472 P473 D475 Q476 V480 L485 I486 I487 D494 Y498 | L472-F478 HydrophobicContact CD1-CB 4.37Å; L472-F478 HydrophobicContact CD1-CD1 4.48Å; L472-F478 HydrophobicContact CD2-CD1 3.98Å; L472-F478 HydrophobicContact CD2-CE1 4.36Å; P473-F478 HydrophobicContact CB-CD2 4.22Å; P473-F478 HydrophobicContact CB-CE2 4Å; P473-F478 HydrophobicContact CG-CD2 4.27Å; P473-F478 HydrophobicContact CG-CE2 3.71Å; P473-F478 HydrophobicContact CG-CZ 3.95Å; D475-F478 HydrophobicContact CB-CD2 4.03Å; D475-F478 HydrophobicContact CB-CE2 4.48Å; D475-F478 PolarHBondContact O-N 2.04Å; Q476-F478 VanDerWaalsContact C-N 3.27Å; Q476-F478 PolarHBondContact O-N 2.94Å; F478-V480 PolarHBondContact O-N 2.89Å; F478-L485 HydrophobicContact CD1-CD1 4.34Å; F478-I486 CarbonylContact C-O 3.58Å; F478-I487 HydrophobicContact CD1-CB 4.42Å; F478-I487 HydrophobicContact CD1-CD1 4.29Å; F478-I487 HydrophobicContact CD1-CG1 3.77Å; F478-I487 HydrophobicContact CD1-CG2 4.05Å; F478-I487 HydrophobicContact CE1-CB 4.25Å; F478-I487 HydrophobicContact CE1-CD1 3.8Å; F478-I487 HydrophobicContact CE1-CG1 3.7Å; F478-I487 HydrophobicContact CE1-CG2 3.59Å; F478-I487 HydrophobicContact CE2-CG2 4.33Å; F478-I487 HydrophobicContact CZ-CG2 3.76Å; F478-D494 WeakPolarHBondContact CE2-OD1 3.28Å; F478-D494 HydrophobicContact CZ-CB 4.37Å; F478-D494 VanDerWaalsContact CZ-OD1 3.22Å; F478-D494 WeakPolarHBondContact CZ-OD1 3.43Å; F478-Y498 HydrophobicContact CD1-CE1 4.35Å; F478-Y498 AromaticContact CE1-CE1 3.62Å; F478-Y498 HydrophobicContact CE1-CE1 3.62Å; F478-Y498 AromaticContact CE1-CZ 3.89Å; F478-Y498 WeakPolarHBondContact CE1-OH 3.35Å |
| 479 | E | 84.2 | Confident | 81.5 | Confident | 79 Ų | 79 | 76.3 Ų | 76.3 | 37% | 0.369 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 105.1 | 178.1 | -72.8 | 172.5 | -163.1 | 0 | 0 | 111.5 | R477 L485 I486 R488 | R477-E479 PolarHBondContact O-N 3.47Å; E479-L485 WeakPolarHBondContact O-CA 3.49Å; E479-I486 HydrophobicContact CB-CB 4.19Å; E479-I486 PolarHBondContact N-O 2.9Å; E479-I486 PolarHBondContact O-N 3.26Å; E479-R488 VanDerWaalsContact CD-NE 3.27Å; E479-R488 IonicContact OE1-CZ 3.48Å; E479-R488 IonicContact OE1-NE 3.73Å; E479-R488 PolarHBondContact OE1-NE 3.01Å; E479-R488 IonicContact OE1-NH2 2.66Å; E479-R488 PolarHBondContact OE1-NH2 3.42Å; E479-R488 IonicContact OE2-CZ 2.71Å; E479-R488 IonicContact OE2-NE 3.92Å; E479-R488 PolarHBondContact OE2-NE 2.86Å; E479-R488 IonicContact OE2-NH2 2.87Å; E479-R488 PolarHBondContact OE2-NH2 2.8Å |
| 480 | V | 82.8 | Confident | 82.1 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.4 | 166.9 | 175.2 | 0 | 0 | 0 | 0 | 109.9 | W465 L472 F478 L485 | W465-V480 HydrophobicContact CB-CG2 4.19Å; W465-V480 HydrophobicContact CG-CG2 4.35Å; L472-V480 HydrophobicContact CD1-CG2 3.51Å; F478-V480 PolarHBondContact O-N 2.89Å; V480-L485 HydrophobicContact CG2-CD1 3.92Å |
| 481 | G | 77 | Confident | 82.8 | Confident | 28 Ų | 28 | 69.7 Ų | 69.7 | 29% | 0.289 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 168.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E483 S484 | G481-E483 PolarHBondContact O-N 3.15Å; G481-S484 PolarHBondContact N-O 3.13Å; G481-S484 PolarHBondContact O-N 2.99Å |
| 482 | D | 75.5 | Confident | 82.9 | Confident | 151 Ų | 151 | 64.1 Ų | 64.1 | 81% | 0.807 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46 | -37 | -171.4 | -57.5 | -15.1 | 0 | 0 | 0 | 115.1 | ||
| 483 | E | 83.9 | Confident | 82.8 | Confident | 67 Ų | 67 | 69 Ų | 69 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 23.5 | 178.3 | -63.7 | -161.6 | 127 | 0 | 0 | 113.8 | C451 K452 V453 G481 | C451-E483 CarbonylContact C-O 3.5Å; C451-E483 PolarHBondContact N-O 3.24Å; C451-E483 CarbonylContact O-C 3.5Å; C451-E483 WeakPolarHBondContact O-CA 3.45Å; C451-E483 WeakPolarHBondContact O-CB 3.35Å; K452-E483 WeakPolarHBondContact CA-OE1 3Å; K452-E483 VanDerWaalsContact CB-OE1 3.23Å; K452-E483 WeakPolarHBondContact CB-OE1 3.39Å; K452-E483 VanDerWaalsContact CD-OE2 3.3Å; K452-E483 WeakPolarHBondContact CD-OE2 3.2Å; K452-E483 WeakPolarHBondContact CE-OE2 3.11Å; K452-E483 HydrophobicContact CG-CB 4.15Å; K452-E483 HydrophobicContact CG-CG 4.44Å; K452-E483 WeakPolarHBondContact CG-OE2 3.29Å; K452-E483 IonicContact NZ-OE2 2.71Å; K452-E483 PolarHBondContact NZ-OE2 3.48Å; V453-E483 PolarHBondContact N-OE1 3.04Å; V453-E483 VanDerWaalsContact N-OE1 3.1Å; G481-E483 PolarHBondContact O-N 3.15Å |
| 484 | S | 88.3 | Confident | 83.2 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 161.3 | -177 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | F449 G481 | F449-S484 CarbonylContact O-C 3.51Å; F449-S484 VanDerWaalsContact O-CA 3.22Å; F449-S484 WeakPolarHBondContact O-CA 3.35Å; F449-S484 WeakPolarHBondContact O-CB 3.29Å; G481-S484 PolarHBondContact N-O 3.13Å; G481-S484 PolarHBondContact O-N 2.99Å |
| 485 | L | 91.8 | Very high | 83.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.8 | 165.1 | 168.1 | 64.4 | 0 | 0 | 0 | 109.5 | F449 W465 L472 F478 E479 V480 I487 Y498 | F449-L485 PolarHBondContact N-O 2.76Å; F449-L485 PolarHBondContact O-N 3.37Å; W465-L485 HydrophobicContact CB-CD2 4.13Å; W465-L485 HydrophobicContact CD2-CB 3.49Å; W465-L485 VanDerWaalsContact CD2-CB 3.49Å; W465-L485 HydrophobicContact CD2-CD2 4.02Å; W465-L485 HydrophobicContact CD2-CG 4.38Å; W465-L485 HydrophobicContact CE3-CB 3.77Å; W465-L485 HydrophobicContact CE3-CD2 3.77Å; W465-L485 HydrophobicContact CE3-CG 4.44Å; W465-L485 HydrophobicContact CG-CB 3.9Å; W465-L485 HydrophobicContact CG-CD2 4.21Å; W465-L485 HydrophobicContact CH2-CB 4.16Å; W465-L485 HydrophobicContact CZ2-CB 3.91Å; W465-L485 HydrophobicContact CZ3-CB 4.09Å; W465-L485 HydrophobicContact CZ3-CD2 4.44Å; L472-L485 HydrophobicContact CD1-CD1 3.83Å; L472-L485 HydrophobicContact CD1-CD2 4.34Å; L472-L485 HydrophobicContact CD2-CD2 4.13Å; F478-L485 HydrophobicContact CD1-CD1 4.34Å; E479-L485 WeakPolarHBondContact O-CA 3.49Å; V480-L485 HydrophobicContact CG2-CD1 3.92Å; L485-I487 HydrophobicContact CD1-CG1 4.37Å; L485-I487 HydrophobicContact CD2-CD1 4.32Å; L485-I487 HydrophobicContact CD2-CG1 4.3Å; L485-I487 HydrophobicContact CG-CG1 4.1Å; L485-Y498 HydrophobicContact CD2-CD1 3.62Å; L485-Y498 HydrophobicContact CD2-CE1 4.32Å; L485-Y498 HydrophobicContact CD2-CG 4.14Å |
| 486 | I | 91.3 | Very high | 84 | Confident | 43 Ų | 43 | 57.7 Ų | 57.7 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.8 | 168.8 | -63.6 | 168.3 | 0 | 0 | 0 | 108.4 | A447 L448 F478 E479 R488 | A447-I486 CarbonylContact O-C 3.58Å; A447-I486 WeakPolarHBondContact O-CA 3.35Å; L448-I486 HydrophobicContact CB-CG1 4.42Å; L448-I486 HydrophobicContact CD1-CD1 4.38Å; L448-I486 HydrophobicContact CD1-CG1 3.62Å; F478-I486 CarbonylContact C-O 3.58Å; E479-I486 HydrophobicContact CB-CB 4.19Å; E479-I486 PolarHBondContact N-O 2.9Å; E479-I486 PolarHBondContact O-N 3.26Å; I486-R488 HydrophobicContact CG2-CG 3.9Å |
| 487 | I | 91.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 109.6 | 174.6 | -48.9 | 168.2 | 0 | 0 | 0 | 106.4 | S446 A447 F449 R477 F478 L485 V490 D494 Y498 L515 | S446-I487 CarbonylContact C-O 3.59Å; S446-I487 VanDerWaalsContact CA-O 3.23Å; S446-I487 WeakPolarHBondContact CA-O 3.49Å; A447-I487 HydrophobicContact CB-CB 4.31Å; A447-I487 PolarHBondContact N-O 2.73Å; A447-I487 PolarHBondContact O-N 3.39Å; F449-I487 HydrophobicContact CD2-CD1 4.29Å; F449-I487 HydrophobicContact CE2-CD1 3.95Å; R477-I487 CarbonylContact O-C 3.58Å; R477-I487 VanDerWaalsContact O-CA 3.32Å; R477-I487 WeakPolarHBondContact O-CA 3.25Å; F478-I487 HydrophobicContact CD1-CB 4.42Å; F478-I487 HydrophobicContact CD1-CD1 4.29Å; F478-I487 HydrophobicContact CD1-CG1 3.77Å; F478-I487 HydrophobicContact CD1-CG2 4.05Å; F478-I487 HydrophobicContact CE1-CB 4.25Å; F478-I487 HydrophobicContact CE1-CD1 3.8Å; F478-I487 HydrophobicContact CE1-CG1 3.7Å; F478-I487 HydrophobicContact CE1-CG2 3.59Å; F478-I487 HydrophobicContact CE2-CG2 4.33Å; F478-I487 HydrophobicContact CZ-CG2 3.76Å; L485-I487 HydrophobicContact CD1-CG1 4.37Å; L485-I487 HydrophobicContact CD2-CD1 4.32Å; L485-I487 HydrophobicContact CD2-CG1 4.3Å; L485-I487 HydrophobicContact CG-CG1 4.1Å; I487-V490 HydrophobicContact CB-CG2 4.18Å; I487-V490 HydrophobicContact CG2-CG2 3.93Å; I487-V490 WeakPolarHBondContact O-CG2 3.44Å; I487-D494 HydrophobicContact CG2-CB 4.41Å; I487-Y498 HydrophobicContact CD1-CD1 4.05Å; I487-Y498 HydrophobicContact CD1-CD2 3.95Å; I487-Y498 HydrophobicContact CD1-CE1 3.63Å; I487-Y498 HydrophobicContact CD1-CE2 3.53Å; I487-Y498 HydrophobicContact CD1-CG 4.18Å; I487-L515 HydrophobicContact CD1-CD2 3.88Å |
| 488 | R | 82.9 | Confident | 85.1 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 42% | 0.415 | 27% | 0.268 | S | S | . | . | trans | -88.6 | 157.5 | -179.1 | -58.7 | -169.8 | -172.7 | -94.6 | -2.2 | 111.5 | R477 E479 I486 V490 | R477-R488 HydrophobicContact CB-CB 4.32Å; R477-R488 WeakPolarHBondContact CB-O 3.16Å; R477-R488 WeakPolarHBondContact CD-O 3.36Å; R477-R488 PolarHBondContact NH1-O 3.05Å; R477-R488 PolarHBondContact O-N 3.03Å; E479-R488 VanDerWaalsContact CD-NE 3.27Å; E479-R488 IonicContact OE1-CZ 3.48Å; E479-R488 IonicContact OE1-NE 3.73Å; E479-R488 PolarHBondContact OE1-NE 3.01Å; E479-R488 IonicContact OE1-NH2 2.66Å; E479-R488 PolarHBondContact OE1-NH2 3.42Å; E479-R488 IonicContact OE2-CZ 2.71Å; E479-R488 IonicContact OE2-NE 3.92Å; E479-R488 PolarHBondContact OE2-NE 2.86Å; E479-R488 IonicContact OE2-NH2 2.87Å; E479-R488 PolarHBondContact OE2-NH2 2.8Å; I486-R488 HydrophobicContact CG2-CG 3.9Å; R488-V490 PolarHBondContact O-N 3.34Å | ||
| 489 | D | 84.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 48.2 Ų | 48.2 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 44 | 57.9 | 177 | -171.7 | 33.1 | 0 | 0 | 0 | 112.4 | G444 R477 T491 | G444-D489 WeakPolarHBondContact CA-OD1 3.34Å; R477-D489 PolarHBondContact NH1-O 3.38Å; D489-T491 PolarHBondContact O-N 3.24Å; D489-T491 VanDerWaalsContact O-N 3.14Å |
| 490 | V | 84.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -64.6 | 115 | -169.1 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | V441 R443 G444 M445 A447 I487 R488 D494 L515 V517 | V441-V490 HydrophobicContact CG1-CB 4.18Å; V441-V490 HydrophobicContact CG1-CG1 4.45Å; V441-V490 HydrophobicContact CG1-CG2 4.29Å; R443-V490 CarbonylContact C-O 3.59Å; R443-V490 VanDerWaalsContact CA-O 3.28Å; R443-V490 WeakPolarHBondContact CA-O 3.39Å; G444-V490 PolarHBondContact N-O 2.93Å; M445-V490 WeakPolarHBondContact O-CB 3.35Å; M445-V490 WeakPolarHBondContact O-CG2 3.43Å; M445-V490 PolarHBondContact O-N 3.37Å; A447-V490 HydrophobicContact CB-CG2 4.09Å; I487-V490 HydrophobicContact CB-CG2 4.18Å; I487-V490 HydrophobicContact CG2-CG2 3.93Å; I487-V490 WeakPolarHBondContact O-CG2 3.44Å; R488-V490 PolarHBondContact O-N 3.34Å; V490-D494 HydrophobicContact CG1-CB 4.22Å; V490-L515 HydrophobicContact CG1-CD2 3.86Å; V490-L515 HydrophobicContact CG1-CG 4.45Å; V490-L515 HydrophobicContact CG2-CD2 4.17Å; V490-V517 HydrophobicContact CG1-CB 4.43Å; V490-V517 HydrophobicContact CG1-CG1 4.14Å; V490-V517 HydrophobicContact CG1-CG2 3.4Å | ||
| 491 | T | 84.8 | Confident | 86.1 | Confident | 32 Ų | 32 | 42 Ų | 42 | 20% | 0.196 | 23% | 0.234 | C | C | . | . | trans | -90.4 | 166.8 | 173.3 | 74.7 | 0 | 0 | 0 | 0 | 110.9 | D489 D493 D494 V517 | D489-T491 PolarHBondContact O-N 3.24Å; D489-T491 VanDerWaalsContact O-N 3.14Å; T491-D493 PolarHBondContact O-N 2.8Å; T491-D493 PolarHBondContact OG1-N 2.79Å; T491-D494 WeakPolarHBondContact CA-OD2 3.17Å; T491-D494 WeakPolarHBondContact CB-OD2 3.49Å; T491-D494 PolarHBondContact N-OD2 3.39Å; T491-D494 WeakPolarHBondContact O-CB 3.27Å; T491-D494 PolarHBondContact O-N 3.17Å; T491-D494 VanDerWaalsContact O-N 3.1Å; T491-D494 PolarHBondContact OG1-OD2 2.89Å; T491-V517 WeakPolarHBondContact O-CG2 3.2Å | ||
| 492 | D | 79.5 | Confident | 86.6 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -64.8 | -22.7 | 178.3 | -60.1 | -62.6 | 0 | 0 | 0 | 113.2 | R443 D494 A495 V517 | R443-D492 WeakPolarHBondContact CD-OD2 3.19Å; R443-D492 IonicContact CZ-OD2 2.81Å; R443-D492 IonicContact NE-OD2 3.2Å; R443-D492 IonicContact NH1-OD2 2.6Å; R443-D492 PolarHBondContact NH1-OD2 3.09Å; D492-D494 VanDerWaalsContact C-N 3.32Å; D492-A495 VanDerWaalsContact O-CB 3.25Å; D492-A495 WeakPolarHBondContact O-CB 3.45Å; D492-A495 PolarHBondContact O-N 3.09Å; D492-V517 WeakPolarHBondContact OD1-CG1 3.16Å |
| 493 | D | 81.3 | Confident | 87.1 | Confident | 138 Ų | 138 | 35.7 Ų | 35.7 | 74% | 0.738 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -75.6 | -20.4 | 175.6 | -63.8 | -60 | 0 | 0 | 0 | 112.7 | K467 T491 A495 | K467-D493 WeakPolarHBondContact CE-O 3.38Å; K467-D493 PolarHBondContact NZ-O 2.82Å; K467-D493 VanDerWaalsContact NZ-O 3.12Å; T491-D493 PolarHBondContact O-N 2.8Å; T491-D493 PolarHBondContact OG1-N 2.79Å; D493-A495 PolarHBondContact O-N 2.91Å |
| 494 | D | 85.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -79.3 | -6.7 | 173.9 | -52.6 | -62.2 | 0 | 0 | 0 | 112.6 | R477 F478 I487 V490 T491 D492 G496 Y498 | R477-D494 IonicContact CZ-OD1 3.22Å; R477-D494 IonicContact CZ-OD2 3.4Å; R477-D494 IonicContact NH1-OD1 2.74Å; R477-D494 IonicContact NH1-OD2 2.71Å; R477-D494 PolarHBondContact NH1-OD2 2.81Å; R477-D494 IonicContact NH2-OD1 3.84Å; R477-D494 PolarHBondContact NH2-OD1 2.8Å; R477-D494 IonicContact NH2-OD2 2.58Å; R477-D494 PolarHBondContact NH2-OD2 2.91Å; F478-D494 WeakPolarHBondContact CE2-OD1 3.28Å; F478-D494 HydrophobicContact CZ-CB 4.37Å; F478-D494 VanDerWaalsContact CZ-OD1 3.22Å; F478-D494 WeakPolarHBondContact CZ-OD1 3.43Å; I487-D494 HydrophobicContact CG2-CB 4.41Å; V490-D494 HydrophobicContact CG1-CB 4.22Å; T491-D494 WeakPolarHBondContact CA-OD2 3.17Å; T491-D494 WeakPolarHBondContact CB-OD2 3.49Å; T491-D494 PolarHBondContact N-OD2 3.39Å; T491-D494 WeakPolarHBondContact O-CB 3.27Å; T491-D494 PolarHBondContact O-N 3.17Å; T491-D494 VanDerWaalsContact O-N 3.1Å; T491-D494 PolarHBondContact OG1-OD2 2.89Å; D492-D494 VanDerWaalsContact C-N 3.32Å; D494-G496 PolarHBondContact O-N 2.75Å; D494-Y498 WeakPolarHBondContact O-CE2 3.19Å; D494-Y498 PolarHBondContact O-OH 3.34Å |
| 495 | A | 85.1 | Confident | 87 | Confident | 37 Ų | 37 | 38.3 Ų | 38.3 | 31% | 0.306 | 21% | 0.206 | S | C | . | . | trans | -57.5 | 137.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | K467 D492 D493 V517 | K467-A495 PolarHBondContact NZ-O 3.33Å; D492-A495 VanDerWaalsContact O-CB 3.25Å; D492-A495 WeakPolarHBondContact O-CB 3.45Å; D492-A495 PolarHBondContact O-N 3.09Å; D493-A495 PolarHBondContact O-N 2.91Å; A495-V517 HydrophobicContact CB-CG2 4.1Å | ||
| 496 | G | 83.8 | Confident | 86.5 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 11% | 0.113 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | D468 D494 T514 L515 | D468-G496 VanDerWaalsContact OD1-CA 3.22Å; D468-G496 WeakPolarHBondContact OD1-CA 3.25Å; D468-G496 WeakPolarHBondContact OD2-CA 3.35Å; D494-G496 PolarHBondContact O-N 2.75Å; G496-T514 CarbonylContact O-C 3.58Å; G496-T514 WeakPolarHBondContact O-CA 3.2Å; G496-T514 WeakPolarHBondContact O-CG2 3.38Å; G496-L515 PolarHBondContact N-O 3.07Å; G496-L515 PolarHBondContact O-N 3Å |
| 497 | T | 90.8 | Very high | 86.1 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 27% | 0.27 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 119.3 | 174.5 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | D468 T514 | D468-T497 PolarHBondContact N-O 2.89Å; D468-T497 PolarHBondContact OD1-N 2.83Å; T497-T514 PolarHBondContact OG1-OG1 2.94Å |
| 498 | Y | 91.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 127 | 178.6 | -67.9 | -81.5 | 0 | 0 | 0 | 110 | F449 L466 K467 L472 F478 L485 I487 D494 S512 A513 L515 | F449-Y498 HydrophobicContact CD2-CD2 4.42Å; F449-Y498 HydrophobicContact CD2-CG 4.39Å; F449-Y498 AromaticContact CE2-CD2 3.58Å; F449-Y498 HydrophobicContact CE2-CD2 3.58Å; F449-Y498 HydrophobicContact CE2-CE2 4.32Å; F449-Y498 AromaticContact CE2-CG 3.97Å; F449-Y498 HydrophobicContact CE2-CG 3.97Å; F449-Y498 AromaticContact CZ-CD2 3.98Å; F449-Y498 HydrophobicContact CZ-CD2 3.98Å; L466-Y498 WeakPolarHBondContact O-CA 3.12Å; K467-Y498 HydrophobicContact CB-CD1 4.14Å; K467-Y498 HydrophobicContact CB-CE1 3.66Å; K467-Y498 HydrophobicContact CD-CE1 3.95Å; K467-Y498 WeakPolarHBondContact CD-OH 3.5Å; K467-Y498 WeakPolarHBondContact CE-OH 3.34Å; K467-Y498 HydrophobicContact CG-CD1 4.36Å; K467-Y498 HydrophobicContact CG-CE1 3.62Å; L472-Y498 HydrophobicContact CD2-CD1 3.92Å; L472-Y498 HydrophobicContact CD2-CE1 3.88Å; F478-Y498 HydrophobicContact CD1-CE1 4.35Å; F478-Y498 AromaticContact CE1-CE1 3.62Å; F478-Y498 HydrophobicContact CE1-CE1 3.62Å; F478-Y498 AromaticContact CE1-CZ 3.89Å; F478-Y498 WeakPolarHBondContact CE1-OH 3.35Å; L485-Y498 HydrophobicContact CD2-CD1 3.62Å; L485-Y498 HydrophobicContact CD2-CE1 4.32Å; L485-Y498 HydrophobicContact CD2-CG 4.14Å; I487-Y498 HydrophobicContact CD1-CD1 4.05Å; I487-Y498 HydrophobicContact CD1-CD2 3.95Å; I487-Y498 HydrophobicContact CD1-CE1 3.63Å; I487-Y498 HydrophobicContact CD1-CE2 3.53Å; I487-Y498 HydrophobicContact CD1-CG 4.18Å; D494-Y498 WeakPolarHBondContact O-CE2 3.19Å; D494-Y498 PolarHBondContact O-OH 3.34Å; Y498-S512 CarbonylContact O-C 3.58Å; Y498-S512 VanDerWaalsContact O-CA 3.24Å; Y498-S512 WeakPolarHBondContact O-CA 3.41Å; Y498-A513 PolarHBondContact N-O 2.77Å; Y498-A513 PolarHBondContact O-N 3.34Å; Y498-L515 HydrophobicContact CD2-CB 4.02Å; Y498-L515 HydrophobicContact CE2-CB 3.73Å; Y498-L515 HydrophobicContact CE2-CD2 3.97Å |
| 499 | T | 91.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.9 | -178.8 | -61.2 | 0 | 0 | 0 | 0 | 109.4 | W465 L466 I501 S512 | W465-T499 CarbonylContact C-O 3.58Å; W465-T499 VanDerWaalsContact CA-O 3.32Å; W465-T499 WeakPolarHBondContact CA-O 3.46Å; L466-T499 PolarHBondContact N-O 3Å; L466-T499 PolarHBondContact O-N 3.08Å; T499-I501 HydrophobicContact CG2-CD1 4.44Å; T499-I501 HydrophobicContact CG2-CG1 3.95Å; T499-S512 WeakPolarHBondContact CB-OG 3.35Å; T499-S512 WeakPolarHBondContact CG2-OG 3.36Å; T499-S512 WeakPolarHBondContact OG1-CB 3.41Å; T499-S512 PolarHBondContact OG1-OG 2.77Å |
| 500 | C | 92.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 136.8 | 164 | 170.5 | 0 | 0 | 0 | 0 | 109.5 | C451 M463 W465 S510 A511 | C451-C500 HydrophobicContact CB-CB 3.57Å; C451-C500 WeakPolarHBondContact CB-SG 3.3Å; C451-C500 WeakPolarHBondContact SG-CB 3.49Å; C451-C500 CovalentContact SG-SG 2.02Å; C451-C500 PolarHBondContact SG-SG 3.44Å; M463-C500 PolarHBondContact SD-SG 2.83Å; W465-C500 HydrophobicContact CD2-CB 4Å; W465-C500 HydrophobicContact CE3-CB 3.87Å; W465-C500 HydrophobicContact CH2-CB 3.75Å; W465-C500 HydrophobicContact CZ2-CB 3.86Å; W465-C500 HydrophobicContact CZ3-CB 3.74Å; C500-S510 CarbonylContact O-C 3.54Å; C500-S510 WeakPolarHBondContact O-CA 3.28Å; C500-S510 VanDerWaalsContact O-CB 3.28Å; C500-S510 WeakPolarHBondContact O-CB 3.5Å; C500-A511 PolarHBondContact N-O 2.75Å; C500-A511 PolarHBondContact O-N 3.43Å |
| 501 | I | 89.8 | Confident | 86.6 | Confident | 22 Ų | 22 | 42 Ų | 42 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.4 | 174.5 | -61.3 | -174.5 | 0 | 0 | 0 | 108.3 | M463 T464 L466 T499 N503 Q508 | M463-I501 VanDerWaalsContact SD-O 3.35Å; T464-I501 PolarHBondContact N-O 3.18Å; T464-I501 PolarHBondContact O-N 2.95Å; T464-I501 VanDerWaalsContact O-O 3.05Å; L466-I501 HydrophobicContact CD1-CD1 3.53Å; L466-I501 HydrophobicContact CG-CD1 4.07Å; T499-I501 HydrophobicContact CG2-CD1 4.44Å; T499-I501 HydrophobicContact CG2-CG1 3.95Å; I501-N503 WeakPolarHBondContact CG2-OD1 3.49Å; I501-Q508 HydrophobicContact CG2-CG 4Å |
| 502 | T | 88.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.4 | 168.7 | -174.2 | 0 | 0 | 0 | 0 | 110.3 | T430 I432 V453 T462 Q508 D509 | T430-T502 HydrophobicContact CG2-CG2 3.71Å; I432-T502 HydrophobicContact CD1-CG2 4.45Å; I432-T502 HydrophobicContact CG1-CG2 4.03Å; V453-T502 HydrophobicContact CG1-CG2 3.95Å; V453-T502 HydrophobicContact CG2-CG2 3.8Å; T462-T502 CarbonylContact O-C 3.29Å; T462-T502 VanDerWaalsContact O-CA 3.28Å; T462-T502 WeakPolarHBondContact O-CA 3.48Å; T462-T502 PolarHBondContact O-OG1 2.79Å; T502-Q508 CarbonylContact O-C 3.57Å; T502-Q508 VanDerWaalsContact O-CA 3.25Å; T502-Q508 WeakPolarHBondContact O-CA 3.34Å; T502-D509 HydrophobicContact CG2-CB 4.08Å; T502-D509 PolarHBondContact N-O 2.91Å; T502-D509 PolarHBondContact O-N 2.75Å |
| 503 | N | 85.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 133.3 | -175.9 | -53.4 | -56.2 | 0 | 0 | 0 | 110.5 | P461 T462 I501 Q508 | P461-N503 CarbonylContact C-O 3.59Å; P461-N503 WeakPolarHBondContact CA-O 3.43Å; T462-N503 PolarHBondContact N-O 2.8Å; T462-N503 PolarHBondContact O-N 3.36Å; T462-N503 PolarHBondContact OG1-O 2.57Å; T462-N503 VanDerWaalsContact OG1-O 3.08Å; I501-N503 WeakPolarHBondContact CG2-OD1 3.49Å; N503-Q508 WeakPolarHBondContact OD1-CG 3.09Å; N503-Q508 PolarHBondContact OD1-NE2 3.4Å |
| 504 | T | 87.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 37.2 Ų | 37.2 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | trans | -106.8 | -179.1 | 161.3 | 76 | 0 | 0 | 0 | 0 | 110.2 | T430 L459 P461 L506 D507 | T430-T504 HydrophobicContact CG2-CG2 4.35Å; T430-T504 WeakPolarHBondContact OG1-CG2 3.35Å; L459-T504 HydrophobicContact CB-CG2 4.23Å; P461-T504 HydrophobicContact CB-CG2 4.21Å; T504-L506 PolarHBondContact O-N 2.79Å; T504-L506 PolarHBondContact OG1-N 3.23Å; T504-L506 VanDerWaalsContact OG1-N 3.08Å; T504-D507 WeakPolarHBondContact CG2-OD1 3.38Å; T504-D507 PolarHBondContact N-O 3.38Å; T504-D507 PolarHBondContact OG1-N 2.94Å; T504-D507 PolarHBondContact OG1-O 3.44Å; T504-D507 PolarHBondContact OG1-OD1 2.67Å | ||
| 505 | I | 81.6 | Confident | 87.6 | Confident | 134 Ų | 134 | 37 Ų | 37 | 69% | 0.687 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -69.6 | 0.6 | 170.5 | 58 | 157.1 | 0 | 0 | 0 | 114.4 | L459 | L459-I505 HydrophobicContact CD2-CD1 4.02Å; L459-I505 HydrophobicContact CD2-CG1 3.9Å |
| 506 | L | 82.3 | Confident | 87.5 | Confident | 62 Ų | 62 | 37.3 Ų | 37.3 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -135.8 | -22.3 | -178 | -65.7 | 176.8 | 0 | 0 | 0 | 115.1 | R349 I351 K427 L459 T504 | R349-L506 HydrophobicContact CB-CD1 3.59Å; R349-L506 HydrophobicContact CB-CD2 4.01Å; R349-L506 HydrophobicContact CB-CG 4.47Å; I351-L506 HydrophobicContact CD1-CB 3.68Å; I351-L506 HydrophobicContact CD1-CD1 4Å; I351-L506 HydrophobicContact CG1-CB 3.93Å; K427-L506 HydrophobicContact CG-CD1 4.05Å; L459-L506 HydrophobicContact CD1-CB 4.37Å; L459-L506 HydrophobicContact CD1-CD1 3.97Å; L459-L506 HydrophobicContact CD1-CG 4.49Å; L459-L506 HydrophobicContact CD2-CD1 3.77Å; L459-L506 HydrophobicContact CD2-CG 4.31Å; T504-L506 PolarHBondContact O-N 2.79Å; T504-L506 PolarHBondContact OG1-N 3.23Å; T504-L506 VanDerWaalsContact OG1-N 3.08Å |
| 507 | D | 82.5 | Confident | 87.5 | Confident | 22 Ų | 22 | 37.8 Ų | 37.8 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | trans | -151.9 | 171.7 | 179.6 | 60.9 | -0.4 | 0 | 0 | 0 | 114.4 | I351 P429 T430 T504 | I351-D507 HydrophobicContact CG1-CB 3.75Å; P429-D507 WeakPolarHBondContact CA-OD2 3.06Å; T430-D507 VanDerWaalsContact CB-OD1 3.29Å; T430-D507 WeakPolarHBondContact CB-OD1 3.42Å; T430-D507 WeakPolarHBondContact CB-OD2 3.37Å; T430-D507 PolarHBondContact N-OD2 2.84Å; T430-D507 PolarHBondContact OG1-OD1 2.73Å; T430-D507 PolarHBondContact OG1-OD2 2.75Å; T504-D507 WeakPolarHBondContact CG2-OD1 3.38Å; T504-D507 PolarHBondContact N-O 3.38Å; T504-D507 PolarHBondContact OG1-N 2.94Å; T504-D507 PolarHBondContact OG1-O 3.44Å; T504-D507 PolarHBondContact OG1-OD1 2.67Å | ||
| 508 | Q | 87.3 | Confident | 86.6 | Confident | 125 Ų | 125 | 38 Ų | 38 | 58% | 0.584 | 22% | 0.216 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.5 | -178.5 | 172.4 | 174.7 | 16.2 | 0 | 0 | 109.4 | I501 T502 N503 | I501-Q508 HydrophobicContact CG2-CG 4Å; T502-Q508 CarbonylContact O-C 3.57Å; T502-Q508 VanDerWaalsContact O-CA 3.25Å; T502-Q508 WeakPolarHBondContact O-CA 3.34Å; N503-Q508 WeakPolarHBondContact OD1-CG 3.09Å; N503-Q508 PolarHBondContact OD1-NE2 3.4Å |
| 509 | D | 88.4 | Confident | 84.8 | Confident | 48 Ų | 48 | 46 Ų | 46 | 26% | 0.257 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 154.1 | 168.3 | -168.7 | 17 | 0 | 0 | 0 | 109.9 | R431 I432 T502 | R431-D509 WeakPolarHBondContact CA-OD2 3.49Å; I432-D509 HydrophobicContact CD1-CB 4.36Å; I432-D509 HydrophobicContact CG1-CB 4.31Å; I432-D509 PolarHBondContact N-OD2 3.37Å; T502-D509 HydrophobicContact CG2-CB 4.08Å; T502-D509 PolarHBondContact N-O 2.91Å; T502-D509 PolarHBondContact O-N 2.75Å |
| 510 | S | 90.3 | Very high | 82.3 | Confident | 61 Ų | 61 | 49 Ų | 49 | 43% | 0.427 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.3 | -176 | 64.8 | 0 | 0 | 0 | 0 | 113.6 | C500 | C500-S510 CarbonylContact O-C 3.54Å; C500-S510 WeakPolarHBondContact O-CA 3.28Å; C500-S510 VanDerWaalsContact O-CB 3.28Å; C500-S510 WeakPolarHBondContact O-CB 3.5Å |
| 511 | A | 88.1 | Confident | 80 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 142.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I432 Q435 P436 C500 | I432-A511 HydrophobicContact CD1-CB 3.89Å; I432-A511 HydrophobicContact CG2-CB 4.37Å; Q435-A511 HydrophobicContact CB-CB 3.96Å; Q435-A511 HydrophobicContact CG-CB 3.65Å; P436-A511 HydrophobicContact CG-CB 4.38Å; P436-A511 WeakPolarHBondContact CG-O 3.44Å; C500-A511 PolarHBondContact N-O 2.75Å; C500-A511 PolarHBondContact O-N 3.43Å |
| 512 | S | 89.3 | Confident | 77.9 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 47% | 0.469 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 147.6 | -167.8 | -48.7 | 0 | 0 | 0 | 0 | 114 | Y498 T499 | Y498-S512 CarbonylContact O-C 3.58Å; Y498-S512 VanDerWaalsContact O-CA 3.24Å; Y498-S512 WeakPolarHBondContact O-CA 3.41Å; T499-S512 WeakPolarHBondContact CB-OG 3.35Å; T499-S512 WeakPolarHBondContact CG2-OG 3.36Å; T499-S512 WeakPolarHBondContact OG1-CB 3.41Å; T499-S512 PolarHBondContact OG1-OG 2.77Å |
| 513 | A | 86.6 | Confident | 76 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 7% | 0.066 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 147.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P436 F449 Y498 | P436-A513 HydrophobicContact CB-CB 3.85Å; P436-A513 HydrophobicContact CG-CB 4.23Å; F449-A513 HydrophobicContact CD1-CB 3.97Å; F449-A513 HydrophobicContact CE1-CB 3.68Å; Y498-A513 PolarHBondContact N-O 2.77Å; Y498-A513 PolarHBondContact O-N 3.34Å |
| 514 | T | 86.5 | Confident | 74.5 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 33% | 0.325 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 137.1 | -177.7 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | Y438 K439 G496 T497 T516 | Y438-T514 WeakPolarHBondContact CA-O 3.28Å; Y438-T514 VanDerWaalsContact CD2-O 3.23Å; Y438-T514 WeakPolarHBondContact CD2-O 3.24Å; K439-T514 PolarHBondContact N-O 3.28Å; G496-T514 CarbonylContact O-C 3.58Å; G496-T514 WeakPolarHBondContact O-CA 3.2Å; G496-T514 WeakPolarHBondContact O-CG2 3.38Å; T497-T514 PolarHBondContact OG1-OG1 2.94Å; T514-T516 HydrophobicContact CG2-CG2 4.36Å |
| 515 | L | 89.3 | Confident | 72.7 | Confident | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.8 | 165.4 | -176.2 | 54.8 | 0 | 0 | 0 | 109.6 | K439 V441 A447 F449 I487 V490 G496 Y498 V517 | K439-L515 HydrophobicContact CB-CD1 3.83Å; K439-L515 WeakPolarHBondContact O-CA 3.33Å; V441-L515 HydrophobicContact CB-CD1 4Å; V441-L515 HydrophobicContact CG2-CD1 3.59Å; A447-L515 HydrophobicContact CB-CD1 3.81Å; A447-L515 HydrophobicContact CB-CD2 3.96Å; F449-L515 HydrophobicContact CE2-CB 4.32Å; F449-L515 HydrophobicContact CZ-CB 3.98Å; I487-L515 HydrophobicContact CD1-CD2 3.88Å; V490-L515 HydrophobicContact CG1-CD2 3.86Å; V490-L515 HydrophobicContact CG1-CG 4.45Å; V490-L515 HydrophobicContact CG2-CD2 4.17Å; G496-L515 PolarHBondContact N-O 3.07Å; G496-L515 PolarHBondContact O-N 3Å; Y498-L515 HydrophobicContact CD2-CB 4.02Å; Y498-L515 HydrophobicContact CE2-CB 3.73Å; Y498-L515 HydrophobicContact CE2-CD2 3.97Å; L515-V517 HydrophobicContact CG-CG2 4.46Å |
| 516 | T | 82.8 | Confident | 71.5 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.6 | 171.2 | 55 | 0 | 0 | 0 | 0 | 110.8 | Y438 K439 K440 V441 T514 | Y438-T516 HydrophobicContact CE2-CG2 4.01Å; Y438-T516 PolarHBondContact OH-OG1 2.93Å; K439-T516 PolarHBondContact O-N 3.36Å; K439-T516 PolarHBondContact O-OG1 2.77Å; K440-T516 WeakPolarHBondContact CA-O 3.3Å; V441-T516 PolarHBondContact N-O 3.01Å; T514-T516 HydrophobicContact CG2-CG2 4.36Å |
| 517 | V | 84.8 | Confident | 70.3 | Confident | 22 Ų | 22 | 77 Ų | 77 | 13% | 0.133 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.8 | -169.3 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | V441 R443 V490 T491 D492 A495 L515 | V441-V517 WeakPolarHBondContact O-CA 3.35Å; R443-V517 HydrophobicContact CB-CG1 4.14Å; V490-V517 HydrophobicContact CG1-CB 4.43Å; V490-V517 HydrophobicContact CG1-CG1 4.14Å; V490-V517 HydrophobicContact CG1-CG2 3.4Å; T491-V517 WeakPolarHBondContact O-CG2 3.2Å; D492-V517 WeakPolarHBondContact OD1-CG1 3.16Å; A495-V517 HydrophobicContact CB-CG2 4.1Å; L515-V517 HydrophobicContact CG-CG2 4.46Å |
| 518 | V | 71.1 | Confident | 69.2 | Low | 48 Ų | 48 | 79.6 Ų | 79.6 | 29% | 0.291 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 144.7 | -179.2 | -78.8 | 0 | 0 | 0 | 0 | 113.4 | K440 V441 Q442 R443 | K440-V518 HydrophobicContact CG-CG2 4.46Å; V441-V518 PolarHBondContact O-N 2.83Å; Q442-V518 WeakPolarHBondContact CA-O 3.45Å; Q442-V518 HydrophobicContact CG-CG2 4.01Å; R443-V518 PolarHBondContact N-O 3.25Å |
| 519 | E | 53.5 | Low | 68.8 | Low | 169 Ų | 169 | 79.9 Ų | 79.9 | 79% | 0.79 | 49% | 0.485 | S | S | * | . | trans | -66.6 | 163.4 | 168.5 | -59.8 | -178.7 | 139.4 | 0 | 0 | 112.6 | ||||
| 520 | A | 40.8 | Very low | 68.6 | Low | 72 Ų | 72 | 81.2 Ų | 81.2 | 60% | 0.595 | 49% | 0.489 | S | S | * | . | trans | -128.5 | 152.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 521 | T | 42.7 | Very low | 68.6 | Low | 136 Ų | 136 | 78.4 Ų | 78.4 | 83% | 0.834 | 47% | 0.469 | S | S | * | . | trans | -129.3 | 151.6 | 179.7 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 522 | P | 46.2 | Very low | 68.8 | Low | 127 Ų | 127 | 81.9 Ų | 81.9 | 83% | 0.825 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -101.9 | 148.4 | -153.5 | 37.3 | -36.4 | 0 | 0 | 0 | 116.9 | ||
| 523 | P | 49.5 | Very low | 68.9 | Low | 106 Ų | 106 | 81 Ų | 81 | 69% | 0.688 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 162.9 | 155.3 | 37.7 | -29.7 | 0 | 0 | 0 | 112.1 | P525 | P523-P525 WeakPolarHBondContact O-CD 3.42Š|
| 524 | P | 54.8 | Low | 69.3 | Low | 132 Ų | 132 | 80.8 Ų | 80.8 | 86% | 0.857 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 120.4 | -175.5 | 30.2 | -33.7 | 0 | 0 | 0 | 113.4 | ||
| 525 | P | 48.3 | Very low | 69.7 | Low | 121 Ų | 121 | 81.5 Ų | 81.5 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | trans | -112.7 | 175.3 | -170.9 | 40.8 | -31.3 | 0 | 0 | 0 | 115.1 | P523 | P523-P525 WeakPolarHBondContact O-CD 3.42Š| ||
| 526 | V | 57 | Low | 69.7 | Low | 131 Ų | 131 | 87 Ų | 87 | 79% | 0.794 | 51% | 0.511 | S | S | * | . | trans | -89 | 151.3 | 171.2 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 527 | V | 57.5 | Low | 70.2 | Confident | 119 Ų | 119 | 86.3 Ų | 86.3 | 72% | 0.721 | 51% | 0.506 | S | S | * | . | trans | -86.2 | 140.6 | 177.1 | -176.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 528 | L | 59.4 | Low | 70.6 | Confident | 75 Ų | 75 | 91.5 Ų | 91.5 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | trans | -124.5 | 149.8 | 178.4 | -57.4 | 171.3 | 0 | 0 | 0 | 108.2 | N558 V611 | L528-N558 HydrophobicContact CD2-CB 4.03Å; L528-N558 WeakPolarHBondContact CD2-O 3.21Å; L528-V611 HydrophobicContact CB-CG2 3.45Å; L528-V611 VanDerWaalsContact CB-CG2 3.45Å | ||
| 529 | E | 78.5 | Confident | 71.5 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | trans | -124.4 | 163 | 178.9 | -66.4 | -174.9 | -166.5 | 0 | 0 | 111.7 | N557 N609 V611 | E529-N557 HydrophobicContact CB-CB 4.26Å; E529-N609 PolarHBondContact O-ND2 3.48Å; E529-V611 WeakPolarHBondContact O-CG2 3.24Å | ||
| 530 | K | 84 | Confident | 73.1 | Confident | 76 Ų | 76 | 85.1 Ų | 85.1 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 159.2 | -178.8 | 65.7 | 161.6 | -170.7 | 169.3 | 0 | 111.9 | N557 Y613 D615 | K530-N557 WeakPolarHBondContact O-CB 3.24Å; K530-N557 PolarHBondContact O-ND2 2.88Å; K530-Y613 VanDerWaalsContact CD-O 3.27Å; K530-Y613 WeakPolarHBondContact CD-O 3.38Å; K530-D615 IonicContact NZ-OD1 2.85Å; K530-D615 PolarHBondContact NZ-OD1 3.39Å; K530-D615 IonicContact NZ-OD2 2.71Å; K530-D615 PolarHBondContact NZ-OD2 2.73Å |
| 531 | P | 89.2 | Confident | 75.1 | Confident | 2 Ų | 2 | 85.9 Ų | 85.9 | 1% | 0.013 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 163.6 | 179 | -10.6 | 26.8 | 0 | 0 | 0 | 112.8 | D555 I561 A607 N609 G612 S614 | P531-D555 WeakPolarHBondContact CA-O 3.33Å; P531-D555 WeakPolarHBondContact CB-O 2.99Å; P531-I561 HydrophobicContact CB-CD1 4.09Å; P531-I561 HydrophobicContact CB-CG1 3.96Å; P531-I561 HydrophobicContact CG-CG1 4.07Å; P531-A607 HydrophobicContact CB-CB 3.88Å; P531-A607 HydrophobicContact CG-CB 4.22Å; P531-N609 WeakPolarHBondContact CD-OD1 3.42Å; P531-N609 HydrophobicContact CG-CB 3.75Å; P531-G612 VanDerWaalsContact CD-O 3.3Å; P531-G612 WeakPolarHBondContact CD-O 3.19Å; P531-S614 VanDerWaalsContact O-CA 3.31Å; P531-S614 WeakPolarHBondContact O-CA 3.35Å; P531-S614 WeakPolarHBondContact O-CB 3.5Å |
| 532 | D | 92.4 | Very high | 77.1 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 153.9 | 169.4 | -81.1 | 20 | 0 | 0 | 0 | 111.6 | D555 N557 | D532-D555 HydrophobicContact CB-CB 4.48Å; D532-D555 PolarHBondContact N-O 2.84Å; D532-N557 PolarHBondContact OD1-ND2 3.48Å |
| 533 | P | 92.8 | Very high | 78.7 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 139.1 | -179.9 | 23.1 | -34.3 | 0 | 0 | 0 | 113.2 | D615 | P533-D615 WeakPolarHBondContact CB-O 3.25Š|
| 534 | P | 95 | Very high | 80.1 | Confident | 2 Ų | 2 | 81.5 Ų | 81.5 | 1% | 0.013 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 153.8 | 167.8 | -25.2 | 35.2 | 0 | 0 | 0 | 113.7 | I552 F564 V605 A607 S617 | P534-I552 CarbonylContact C-O 3.57Å; P534-I552 VanDerWaalsContact CA-O 3.29Å; P534-I552 WeakPolarHBondContact CA-O 3.43Å; P534-F564 HydrophobicContact CG-CD1 3.89Å; P534-F564 HydrophobicContact CG-CE1 3.92Å; P534-V605 HydrophobicContact CB-CB 4.27Å; P534-V605 HydrophobicContact CB-CG1 4.42Å; P534-V605 HydrophobicContact CG-CB 4.21Å; P534-V605 HydrophobicContact CG-CG1 4.02Å; P534-A607 HydrophobicContact CG-CB 4.07Å; P534-S617 WeakPolarHBondContact O-CB 3.49Å |
| 535 | T | 93.3 | Very high | 81.6 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 173.8 | -176.6 | 59.1 | 0 | 0 | 0 | 0 | 112.8 | L537 I552 | T535-L537 PolarHBondContact O-N 2.88Å; T535-I552 PolarHBondContact N-O 3.08Å; T535-I552 PolarHBondContact O-N 3.29Å |
| 536 | D | 90.3 | Very high | 83.5 | Confident | 116 Ų | 116 | 73.6 Ų | 73.6 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 48.9 | 60.3 | 175 | -64.8 | -9.4 | 0 | 0 | 0 | 114.9 | E538 I552 | D536-E538 PolarHBondContact O-N 3.46Å; D536-I552 HydrophobicContact CB-CD1 3.93Å; D536-I552 HydrophobicContact CB-CG1 4.17Å |
| 537 | L | 93.9 | Very high | 85.2 | Confident | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.7 | 177.8 | -84.8 | 67.5 | 0 | 0 | 0 | 112.3 | T535 L549 T550 W551 V605 S617 | T535-L537 PolarHBondContact O-N 2.88Å; L537-L549 HydrophobicContact CB-CD1 4.2Å; L537-L549 HydrophobicContact CD2-CD1 4.35Å; L537-L549 HydrophobicContact CG-CD1 4.24Å; L537-T550 CarbonylContact C-O 3.52Å; L537-T550 VanDerWaalsContact CA-O 3.32Å; L537-T550 WeakPolarHBondContact CA-O 3.26Å; L537-W551 HydrophobicContact CD1-CB 3.88Å; L537-W551 HydrophobicContact CG-CB 4.18Å; L537-V605 HydrophobicContact CD2-CG2 4.08Å; L537-V605 HydrophobicContact CG-CG2 4.42Å; L537-S617 VanDerWaalsContact CD2-OG 3.32Å; L537-S617 WeakPolarHBondContact CD2-OG 3.42Å |
| 538 | E | 91.9 | Very high | 86.9 | Confident | 132 Ų | 132 | 63.9 Ų | 63.9 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 149.1 | 175.6 | -62.3 | -165.8 | 156.4 | 0 | 0 | 112.9 | D536 L549 T550 | D536-E538 PolarHBondContact O-N 3.46Å; E538-L549 WeakPolarHBondContact O-CA 3.47Å; E538-T550 PolarHBondContact N-O 3.22Å; E538-T550 PolarHBondContact O-N 3.05Å; E538-T550 PolarHBondContact O-OG1 2.9Å |
| 539 | L | 90.9 | Very high | 88.6 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 111.1 | -178.1 | -72.3 | 173.9 | 0 | 0 | 0 | 112.2 | Q542 V547 Q548 L549 F603 A621 | L539-Q542 PolarHBondContact O-NE2 2.82Å; L539-V547 HydrophobicContact CB-CG2 4.3Å; L539-V547 HydrophobicContact CD2-CG1 4.01Å; L539-V547 HydrophobicContact CD2-CG2 3.97Å; L539-Q548 WeakPolarHBondContact CA-O 3.31Å; L539-L549 HydrophobicContact CD2-CB 3.96Å; L539-L549 HydrophobicContact CD2-CD1 3.61Å; L539-L549 HydrophobicContact CD2-CG 4.37Å; L539-L549 HydrophobicContact CG-CD1 4.2Å; L539-F603 HydrophobicContact CD1-CD2 4.03Å; L539-F603 HydrophobicContact CD1-CE2 4.22Å; L539-F603 HydrophobicContact CD2-CD2 3.82Å; L539-F603 HydrophobicContact CD2-CE2 4.04Å; L539-A621 WeakPolarHBondContact CD1-O 3.16Å |
| 540 | T | 86.5 | Confident | 89.3 | Confident | 52 Ų | 52 | 55.4 Ų | 55.4 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 175.4 | -177.1 | 56 | 0 | 0 | 0 | 0 | 111.5 | Q542 V547 Q548 | T540-Q542 PolarHBondContact O-N 3.01Å; T540-V547 VanDerWaalsContact O-CG2 3.28Å; T540-V547 WeakPolarHBondContact O-CG2 3.45Å; T540-Q548 PolarHBondContact N-O 3.01Å; T540-Q548 PolarHBondContact O-N 3.42Å; T540-Q548 PolarHBondContact OG1-O 2.9Å |
| 541 | D | 82.3 | Confident | 89.9 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 47% | 0.471 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 44.8 | 51.9 | 174.9 | -85.7 | 35.1 | 0 | 0 | 0 | 115.6 | M543 Q548 R592 | D541-M543 PolarHBondContact O-N 2.88Å; D541-Q548 HydrophobicContact CB-CB 3.93Å; D541-R592 IonicContact OD2-CZ 3.49Å; D541-R592 IonicContact OD2-NH1 2.74Å; D541-R592 PolarHBondContact OD2-NH1 3.41Å; D541-R592 IonicContact OD2-NH2 2.7Å; D541-R592 PolarHBondContact OD2-NH2 2.87Å |
| 542 | Q | 84.8 | Confident | 90.1 | Very high | 103 Ų | 103 | 56.2 Ų | 56.2 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | trans | -71.7 | 119.8 | -175.8 | -70.4 | 173.8 | 17.1 | 0 | 0 | 112.6 | L539 T540 V547 Y623 | L539-Q542 PolarHBondContact O-NE2 2.82Å; T540-Q542 PolarHBondContact O-N 3.01Å; Q542-V547 HydrophobicContact CG-CG2 3.69Å; Q542-Y623 HydrophobicContact CB-CE2 3.6Å; Q542-Y623 WeakPolarHBondContact CB-OH 3.02Å; Q542-Y623 HydrophobicContact CG-CD2 3.87Å; Q542-Y623 HydrophobicContact CG-CE1 4.45Å; Q542-Y623 HydrophobicContact CG-CE2 3.41Å; Q542-Y623 VanDerWaalsContact CG-CE2 3.41Å | ||
| 543 | M | 81.1 | Confident | 90 | Very high | 86 Ų | 86 | 55 Ų | 55 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | trans | -129 | 179.7 | -175.5 | -63.5 | -175 | 171.1 | 0 | 0 | 112.5 | D541 S546 Y623 N626 | D541-M543 PolarHBondContact O-N 2.88Å; M543-S546 WeakPolarHBondContact CA-O 3.47Å; M543-S546 WeakPolarHBondContact CB-O 3.34Å; M543-S546 PolarHBondContact N-O 3.47Å; M543-Y623 PolarHBondContact N-OH 3.17Å; M543-Y623 PolarHBondContact O-OH 3.45Å; M543-N626 PolarHBondContact O-N 2.89Å | ||
| 544 | E | 79.3 | Confident | 89.6 | Confident | 88 Ų | 88 | 53.6 Ų | 53.6 | 41% | 0.411 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -68.9 | -34.3 | 176.8 | 53.3 | 167 | -179 | 0 | 0 | 113.9 | P597 T625 N626 S628 | E544-P597 WeakPolarHBondContact O-CA 3.39Å; E544-T625 WeakPolarHBondContact O-CB 3.38Å; E544-N626 WeakPolarHBondContact CA-O 3.41Å; E544-N626 HydrophobicContact CB-CB 3.99Å; E544-S628 WeakPolarHBondContact OE2-CB 3.48Å; E544-S628 PolarHBondContact OE2-OG 2.88Å |
| 545 | R | 85.8 | Confident | 89.1 | Confident | 75 Ų | 75 | 58.3 Ų | 58.3 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -126.7 | 10.3 | -177.7 | -65.3 | -174.9 | -166.9 | -119.2 | 6.1 | 113.9 | Q594 L595 P597 D631 N660 | R545-Q594 CarbonylContact O-C 3.42Å; R545-Q594 WeakPolarHBondContact O-CA 3.31Å; R545-Q594 PolarHBondContact O-OE1 3.18Å; R545-L595 CarbonylContact C-O 3.11Å; R545-L595 VanDerWaalsContact CA-O 3.28Å; R545-L595 WeakPolarHBondContact CA-O 3.45Å; R545-L595 PolarHBondContact O-N 2.88Å; R545-P597 HydrophobicContact CG-CG 3.73Å; R545-D631 IonicContact CZ-OD1 3.82Å; R545-D631 IonicContact CZ-OD2 3.51Å; R545-D631 IonicContact NH1-OD1 3.19Å; R545-D631 IonicContact NH1-OD2 3.31Å; R545-D631 PolarHBondContact NH1-OD2 2.93Å; R545-D631 IonicContact NH2-OD1 3.35Å; R545-D631 PolarHBondContact NH2-OD1 3.06Å; R545-D631 IonicContact NH2-OD2 2.75Å; R545-D631 PolarHBondContact NH2-OD2 3.02Å; R545-N660 PolarHBondContact NH2-ND2 2.88Å |
| 546 | S | 87.4 | Confident | 88.5 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 163.7 | 173 | 57.5 | 0 | 0 | 0 | 0 | 113.9 | M543 L593 | M543-S546 WeakPolarHBondContact CA-O 3.47Å; M543-S546 WeakPolarHBondContact CB-O 3.34Å; M543-S546 PolarHBondContact N-O 3.47Å; S546-L593 CarbonylContact C-O 3.59Å; S546-L593 WeakPolarHBondContact CA-O 3.25Å; S546-L593 WeakPolarHBondContact CB-O 3.26Å |
| 547 | V | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 155.9 | 167.9 | 72.6 | 0 | 0 | 0 | 0 | 108.8 | L539 T540 Q542 R592 L593 L595 F603 Y623 | L539-V547 HydrophobicContact CB-CG2 4.3Å; L539-V547 HydrophobicContact CD2-CG1 4.01Å; L539-V547 HydrophobicContact CD2-CG2 3.97Å; T540-V547 VanDerWaalsContact O-CG2 3.28Å; T540-V547 WeakPolarHBondContact O-CG2 3.45Å; Q542-V547 HydrophobicContact CG-CG2 3.69Å; V547-R592 CarbonylContact O-C 3.45Å; V547-R592 WeakPolarHBondContact O-CA 3.45Å; V547-L593 HydrophobicContact CG1-CB 4.21Å; V547-L593 HydrophobicContact CG1-CD1 4.13Å; V547-L593 HydrophobicContact CG1-CG 4.46Å; V547-L593 PolarHBondContact N-O 2.81Å; V547-L593 VanDerWaalsContact N-O 3.11Å; V547-L593 PolarHBondContact O-N 3.46Å; V547-L595 HydrophobicContact CB-CD1 4.1Å; V547-L595 HydrophobicContact CG1-CD1 3.67Å; V547-F603 HydrophobicContact CG1-CE2 4.03Å; V547-F603 HydrophobicContact CG1-CZ 4.11Å; V547-Y623 HydrophobicContact CB-CD1 4.11Å; V547-Y623 HydrophobicContact CB-CE1 3.86Å; V547-Y623 HydrophobicContact CG1-CD1 4.38Å; V547-Y623 HydrophobicContact CG2-CD1 4.07Å; V547-Y623 HydrophobicContact CG2-CE1 4.02Å |
| 548 | Q | 92.9 | Very high | 87.2 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 22% | 0.215 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.8 | 173 | -170.7 | 164.8 | -59.6 | 0 | 0 | 110.5 | L539 T540 D541 T590 A591 | L539-Q548 WeakPolarHBondContact CA-O 3.31Å; T540-Q548 PolarHBondContact N-O 3.01Å; T540-Q548 PolarHBondContact O-N 3.42Å; T540-Q548 PolarHBondContact OG1-O 2.9Å; D541-Q548 HydrophobicContact CB-CB 3.93Å; Q548-T590 HydrophobicContact CG-CG2 3.82Å; Q548-A591 CarbonylContact C-O 3.57Å; Q548-A591 WeakPolarHBondContact CA-O 3.36Å |
| 549 | L | 95.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 135.9 | 174.2 | 178.8 | 69.5 | 0 | 0 | 0 | 109.3 | L537 E538 L539 W551 I566 T590 A591 L593 F603 V605 | L537-L549 HydrophobicContact CB-CD1 4.2Å; L537-L549 HydrophobicContact CD2-CD1 4.35Å; L537-L549 HydrophobicContact CG-CD1 4.24Å; E538-L549 WeakPolarHBondContact O-CA 3.47Å; L539-L549 HydrophobicContact CD2-CB 3.96Å; L539-L549 HydrophobicContact CD2-CD1 3.61Å; L539-L549 HydrophobicContact CD2-CG 4.37Å; L539-L549 HydrophobicContact CG-CD1 4.2Å; L549-W551 HydrophobicContact CB-CZ3 4.49Å; L549-W551 HydrophobicContact CD2-CE3 4.27Å; L549-W551 HydrophobicContact CD2-CZ3 4.32Å; L549-W551 HydrophobicContact CG-CE3 4Å; L549-W551 HydrophobicContact CG-CZ3 4.21Å; L549-W551 WeakPolarHBondContact O-CZ3 3.27Å; L549-I566 HydrophobicContact CD2-CG2 3.7Å; L549-T590 CarbonylContact O-C 3.59Å; L549-T590 WeakPolarHBondContact O-CA 3.33Å; L549-A591 PolarHBondContact N-O 3.17Å; L549-A591 PolarHBondContact O-N 2.04Å; L549-L593 HydrophobicContact CB-CD1 3.76Å; L549-L593 HydrophobicContact CB-CG 4.25Å; L549-L593 HydrophobicContact CD2-CD1 4.09Å; L549-F603 HydrophobicContact CD1-CB 4.45Å; L549-F603 HydrophobicContact CD2-CB 3.94Å; L549-F603 HydrophobicContact CD2-CG 4.48Å; L549-V605 HydrophobicContact CD2-CG2 3.84Å |
| 550 | T | 94.2 | Very high | 86.4 | Confident | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.172 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.9 | 176.1 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | L537 E538 T589 T590 | L537-T550 CarbonylContact C-O 3.52Å; L537-T550 VanDerWaalsContact CA-O 3.32Å; L537-T550 WeakPolarHBondContact CA-O 3.26Å; E538-T550 PolarHBondContact N-O 3.22Å; E538-T550 PolarHBondContact O-N 3.05Å; E538-T550 PolarHBondContact O-OG1 2.9Å; T550-T589 WeakPolarHBondContact CA-O 3.28Å; T550-T590 HydrophobicContact CG2-CG2 3.82Å; T550-T590 WeakPolarHBondContact CG2-OG1 3.25Å |
| 551 | W | 95.4 | Very high | 86.5 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 4% | 0.038 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 170.1 | -178.6 | 61.3 | 93.5 | 0 | 0 | 0 | 111.7 | L537 L549 F564 I566 V584 T588 T589 A591 V605 | L537-W551 HydrophobicContact CD1-CB 3.88Å; L537-W551 HydrophobicContact CG-CB 4.18Å; L549-W551 HydrophobicContact CB-CZ3 4.49Å; L549-W551 HydrophobicContact CD2-CE3 4.27Å; L549-W551 HydrophobicContact CD2-CZ3 4.32Å; L549-W551 HydrophobicContact CG-CE3 4Å; L549-W551 HydrophobicContact CG-CZ3 4.21Å; L549-W551 WeakPolarHBondContact O-CZ3 3.27Å; W551-F564 AromaticContact CE2-CD2 3.87Å; W551-F564 AromaticContact CE2-CG 3.89Å; W551-F564 HydrophobicContact CZ2-CB 3.79Å; W551-F564 AromaticContact CZ2-CD2 3.75Å; W551-F564 HydrophobicContact CZ2-CD2 3.75Å; W551-F564 AromaticContact CZ2-CG 3.89Å; W551-F564 HydrophobicContact CZ2-CG 3.89Å; W551-F564 AromaticContact NE1-CD1 3.53Å; W551-F564 AromaticContact NE1-CD2 3.38Å; W551-F564 AromaticContact NE1-CE1 3.74Å; W551-F564 AromaticContact NE1-CE2 3.56Å; W551-F564 AromaticContact NE1-CG 3.38Å; W551-F564 AromaticContact NE1-CZ 3.78Å; W551-I566 HydrophobicContact CH2-CD1 3.58Å; W551-I566 HydrophobicContact CH2-CG1 4.25Å; W551-I566 HydrophobicContact CZ2-CD1 4.5Å; W551-I566 HydrophobicContact CZ3-CD1 3.79Å; W551-V584 HydrophobicContact CH2-CG2 3.74Å; W551-V584 HydrophobicContact CZ2-CG2 3.69Å; W551-T588 WeakPolarHBondContact CZ2-O 3.39Å; W551-T589 PolarHBondContact N-O 2.63Å; W551-T589 VanDerWaalsContact N-O 3.11Å; W551-T589 WeakPolarHBondContact O-CB 3.19Å; W551-A591 HydrophobicContact CH2-CB 3.86Å; W551-A591 HydrophobicContact CZ3-CB 4Å; W551-V605 HydrophobicContact CD2-CG1 4.32Å; W551-V605 HydrophobicContact CD2-CG2 4.14Å; W551-V605 HydrophobicContact CE3-CG2 4.17Å; W551-V605 HydrophobicContact CG-CG2 4.41Å; W551-V605 HydrophobicContact CZ2-CG1 4.47Å |
| 552 | I | 93.7 | Very high | 86.8 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.8 | 173.6 | -56.9 | -178.8 | 0 | 0 | 0 | 109.3 | P534 T535 D536 | P534-I552 CarbonylContact C-O 3.57Å; P534-I552 VanDerWaalsContact CA-O 3.29Å; P534-I552 WeakPolarHBondContact CA-O 3.43Å; T535-I552 PolarHBondContact N-O 3.08Å; T535-I552 PolarHBondContact O-N 3.29Å; D536-I552 HydrophobicContact CB-CD1 3.93Å; D536-I552 HydrophobicContact CB-CG1 4.17Å |
| 553 | P | 90.8 | Very high | 87.1 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 34% | 0.344 | 28% | 0.277 | S | S | . | . | trans | -61 | 149.2 | 173.1 | -25.7 | 36 | 0 | 0 | 0 | 114.1 | I561 F564 T589 | P553-I561 HydrophobicContact CB-CD1 4.45Å; P553-F564 HydrophobicContact CB-CE1 4.39Å; P553-F564 HydrophobicContact CB-CZ 3.78Å; P553-F564 HydrophobicContact CG-CE2 4.32Å; P553-F564 HydrophobicContact CG-CZ 3.72Å; P553-T589 HydrophobicContact CG-CG2 3.69Å | ||
| 554 | G | 84 | Confident | 87.8 | Confident | 21 Ų | 21 | 48.7 Ų | 48.7 | 22% | 0.216 | 26% | 0.257 | C | S | . | . | trans | -79.4 | -175 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 555 | D | 85.4 | Confident | 88.5 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | trans | -69.8 | 149.9 | 171.2 | -154.5 | -49.3 | 0 | 0 | 0 | 111.2 | P531 D532 N557 | P531-D555 WeakPolarHBondContact CA-O 3.33Å; P531-D555 WeakPolarHBondContact CB-O 2.99Å; D532-D555 HydrophobicContact CB-CB 4.48Å; D532-D555 PolarHBondContact N-O 2.84Å; D555-N557 PolarHBondContact OD1-N 2.98Å; D555-N557 VanDerWaalsContact OD1-N 3.15Å | ||
| 556 | E | 80.1 | Confident | 89 | Confident | 88 Ų | 88 | 41.5 Ų | 41.5 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | trans | -91 | -12.2 | -175.4 | -47.9 | -162.8 | 106.7 | 0 | 0 | 112.7 | N558 S559 P560 I561 N609 | E556-N558 PolarHBondContact O-N 3.22Å; E556-S559 PolarHBondContact O-N 2.74Å; E556-S559 VanDerWaalsContact O-N 3.12Å; E556-P560 WeakPolarHBondContact OE1-CA 3.18Å; E556-I561 HydrophobicContact CB-CG1 4.32Å; E556-I561 HydrophobicContact CG-CD1 4.04Å; E556-I561 HydrophobicContact CG-CG1 3.97Å; E556-I561 PolarHBondContact OE1-N 3.35Å; E556-N609 PolarHBondContact O-ND2 3.03Å | ||
| 557 | N | 82.3 | Confident | 89.3 | Confident | 41 Ų | 41 | 41.9 Ų | 41.9 | 22% | 0.219 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.2 | 174.6 | -69.4 | -36.5 | 0 | 0 | 0 | 114.7 | E529 K530 D532 D555 | E529-N557 HydrophobicContact CB-CB 4.26Å; K530-N557 WeakPolarHBondContact O-CB 3.24Å; K530-N557 PolarHBondContact O-ND2 2.88Å; D532-N557 PolarHBondContact OD1-ND2 3.48Å; D555-N557 PolarHBondContact OD1-N 2.98Å; D555-N557 VanDerWaalsContact OD1-N 3.15Å |
| 558 | N | 74.7 | Confident | 89.3 | Confident | 146 Ų | 146 | 44 Ų | 44 | 78% | 0.781 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 2.9 | 178 | -47.9 | -91.7 | 0 | 0 | 0 | 117.2 | L528 E556 | L528-N558 HydrophobicContact CD2-CB 4.03Å; L528-N558 WeakPolarHBondContact CD2-O 3.21Å; E556-N558 PolarHBondContact O-N 3.22Å |
| 559 | S | 80.4 | Confident | 89.1 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -127.4 | 125.5 | 166.4 | 159.1 | 0 | 0 | 0 | 0 | 109.1 | E556 N609 D610 | E556-S559 PolarHBondContact O-N 2.74Å; E556-S559 VanDerWaalsContact O-N 3.12Å; S559-N609 WeakPolarHBondContact CB-ND2 3.36Å; S559-N609 WeakPolarHBondContact O-CB 3.43Å; S559-N609 PolarHBondContact O-ND2 3.22Å; S559-N609 WeakPolarHBondContact OG-CB 3.29Å; S559-D610 VanDerWaalsContact OG-CB 3.29Å; S559-D610 WeakPolarHBondContact OG-CB 3.19Å; S559-D610 PolarHBondContact OG-N 2.93Å; S559-D610 PolarHBondContact OG-OD2 3Å |
| 560 | P | 85.9 | Confident | 88.4 | Confident | 72 Ų | 72 | 43.9 Ų | 43.9 | 47% | 0.468 | 24% | 0.236 | S | C | . | . | trans | -64.2 | 143.8 | -168.2 | 27.7 | -35.6 | 0 | 0 | 0 | 112 | E556 Q562 N609 | E556-P560 WeakPolarHBondContact OE1-CA 3.18Å; P560-Q562 WeakPolarHBondContact O-CG 3.37Å; P560-Q562 PolarHBondContact O-N 2.91Å; P560-Q562 VanDerWaalsContact O-N 3.12Å; P560-N609 VanDerWaalsContact O-CB 3.28Å; P560-N609 WeakPolarHBondContact O-CB 3.28Å | ||
| 561 | I | 88.1 | Confident | 87 | Confident | 15 Ų | 15 | 46.4 Ų | 46.4 | 8% | 0.077 | 25% | 0.248 | C | C | . | . | trans | -68.4 | 113.2 | 177.3 | -63.9 | 169.1 | 0 | 0 | 0 | 108.2 | P531 P553 E556 N563 F564 G586 A607 Q608 | P531-I561 HydrophobicContact CB-CD1 4.09Å; P531-I561 HydrophobicContact CB-CG1 3.96Å; P531-I561 HydrophobicContact CG-CG1 4.07Å; P553-I561 HydrophobicContact CB-CD1 4.45Å; E556-I561 HydrophobicContact CB-CG1 4.32Å; E556-I561 HydrophobicContact CG-CD1 4.04Å; E556-I561 HydrophobicContact CG-CG1 3.97Å; E556-I561 PolarHBondContact OE1-N 3.35Å; I561-N563 WeakPolarHBondContact CG2-O 3.11Å; I561-F564 HydrophobicContact CG2-CD1 4.45Å; I561-F564 HydrophobicContact CG2-CE1 3.91Å; I561-F564 HydrophobicContact CG2-CE2 4.37Å; I561-F564 HydrophobicContact CG2-CZ 3.84Å; I561-G586 WeakPolarHBondContact O-CA 3.31Å; I561-A607 HydrophobicContact CD1-CB 4.09Å; I561-A607 HydrophobicContact CG1-CB 4.44Å; I561-A607 HydrophobicContact CG2-CB 4.12Å; I561-Q608 CarbonylContact C-O 3.49Å; I561-Q608 WeakPolarHBondContact CA-O 3.42Å | ||
| 562 | Q | 89.1 | Confident | 85.4 | Confident | 91 Ų | 91 | 50.4 Ų | 50.4 | 43% | 0.425 | 27% | 0.27 | S | S | . | . | trans | -86.2 | -36.8 | -176.3 | -58.5 | -166.2 | 7.9 | 0 | 0 | 111.7 | P560 S585 G586 Q608 D610 | P560-Q562 WeakPolarHBondContact O-CG 3.37Å; P560-Q562 PolarHBondContact O-N 2.91Å; P560-Q562 VanDerWaalsContact O-N 3.12Å; Q562-S585 CarbonylContact O-C 3.59Å; Q562-G586 VanDerWaalsContact C-N 3.3Å; Q562-G586 PolarHBondContact O-N 3Å; Q562-Q608 PolarHBondContact N-O 2.86Å; Q562-D610 PolarHBondContact NE2-OD1 3.08Å; Q562-D610 PolarHBondContact NE2-OD2 2.87Å; Q562-D610 VanDerWaalsContact NE2-OD2 3.11Å | ||
| 563 | N | 90.4 | Very high | 83.8 | Confident | 47 Ų | 47 | 52 Ų | 52 | 25% | 0.251 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 162.2 | -176.5 | -74.8 | -19.9 | 0 | 0 | 0 | 112.9 | I561 E583 V584 Q608 | I561-N563 WeakPolarHBondContact CG2-O 3.11Å; N563-E583 HydrophobicContact CB-CG 3.88Å; N563-E583 WeakPolarHBondContact CB-OE1 3.24Å; N563-E583 VanDerWaalsContact CG-OE1 3.3Å; N563-E583 PolarHBondContact ND2-OE1 2.7Å; N563-V584 CarbonylContact C-O 3.58Å; N563-V584 WeakPolarHBondContact CA-O 3.3Å; N563-Q608 HydrophobicContact CB-CB 4.36Å; N563-Q608 PolarHBondContact N-O 2.95Å; N563-Q608 PolarHBondContact O-N 3.16Å |
| 564 | F | 95.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.7 | 160.4 | -65.8 | -71.4 | 0 | 0 | 0 | 110.2 | P534 W551 P553 I561 E583 V584 G586 T588 V605 L606 A607 | P534-F564 HydrophobicContact CG-CD1 3.89Å; P534-F564 HydrophobicContact CG-CE1 3.92Å; W551-F564 AromaticContact CE2-CD2 3.87Å; W551-F564 AromaticContact CE2-CG 3.89Å; W551-F564 HydrophobicContact CZ2-CB 3.79Å; W551-F564 AromaticContact CZ2-CD2 3.75Å; W551-F564 HydrophobicContact CZ2-CD2 3.75Å; W551-F564 AromaticContact CZ2-CG 3.89Å; W551-F564 HydrophobicContact CZ2-CG 3.89Å; W551-F564 AromaticContact NE1-CD1 3.53Å; W551-F564 AromaticContact NE1-CD2 3.38Å; W551-F564 AromaticContact NE1-CE1 3.74Å; W551-F564 AromaticContact NE1-CE2 3.56Å; W551-F564 AromaticContact NE1-CG 3.38Å; W551-F564 AromaticContact NE1-CZ 3.78Å; P553-F564 HydrophobicContact CB-CE1 4.39Å; P553-F564 HydrophobicContact CB-CZ 3.78Å; P553-F564 HydrophobicContact CG-CE2 4.32Å; P553-F564 HydrophobicContact CG-CZ 3.72Å; I561-F564 HydrophobicContact CG2-CD1 4.45Å; I561-F564 HydrophobicContact CG2-CE1 3.91Å; I561-F564 HydrophobicContact CG2-CE2 4.37Å; I561-F564 HydrophobicContact CG2-CZ 3.84Å; F564-E583 WeakPolarHBondContact O-CA 3.46Å; F564-V584 HydrophobicContact CB-CG2 4.05Å; F564-V584 PolarHBondContact N-O 3.02Å; F564-V584 PolarHBondContact O-N 3.25Å; F564-G586 VanDerWaalsContact CE2-O 3.27Å; F564-G586 WeakPolarHBondContact CE2-O 3.22Å; F564-T588 WeakPolarHBondContact CD2-O 3.18Å; F564-V605 HydrophobicContact CB-CG1 3.74Å; F564-V605 HydrophobicContact CD1-CG1 4.03Å; F564-V605 HydrophobicContact CG-CG1 4.2Å; F564-L606 CarbonylContact C-O 3.57Å; F564-L606 VanDerWaalsContact CA-O 3.24Å; F564-L606 WeakPolarHBondContact CA-O 3.47Å; F564-A607 HydrophobicContact CD1-CB 3.89Å; F564-A607 HydrophobicContact CE1-CB 3.68Å |
| 565 | L | 95.3 | Very high | 81.3 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 124.2 | 170.9 | 171 | 64.3 | 0 | 0 | 0 | 109.4 | E567 N580 E583 V605 L606 Y613 | L565-E567 HydrophobicContact CG-CG 4.38Å; L565-N580 HydrophobicContact CD1-CB 4.06Å; L565-E583 HydrophobicContact CD1-CB 4.49Å; L565-V605 CarbonylContact O-C 3.47Å; L565-V605 WeakPolarHBondContact O-CA 3.43Å; L565-L606 HydrophobicContact CB-CB 4.41Å; L565-L606 PolarHBondContact N-O 2.85Å; L565-L606 PolarHBondContact O-N 3.28Å; L565-Y613 HydrophobicContact CB-CD1 4.38Å; L565-Y613 HydrophobicContact CB-CE1 3.71Å; L565-Y613 HydrophobicContact CD2-CE1 4.05Å |
| 566 | I | 95.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.9 | 177.5 | -50.8 | 176.6 | 0 | 0 | 0 | 108.3 | L549 W551 L581 T582 A591 L593 V605 | L549-I566 HydrophobicContact CD2-CG2 3.7Å; W551-I566 HydrophobicContact CH2-CD1 3.58Å; W551-I566 HydrophobicContact CH2-CG1 4.25Å; W551-I566 HydrophobicContact CZ2-CD1 4.5Å; W551-I566 HydrophobicContact CZ3-CD1 3.79Å; I566-L581 WeakPolarHBondContact O-CB 3.29Å; I566-L581 PolarHBondContact O-N 3.1Å; I566-T582 HydrophobicContact CB-CG2 4.25Å; I566-T582 HydrophobicContact CD1-CG2 3.98Å; I566-T582 HydrophobicContact CG1-CG2 4.44Å; I566-T582 PolarHBondContact N-O 3.33Å; I566-T582 PolarHBondContact O-N 3Å; I566-A591 HydrophobicContact CD1-CB 3.55Å; I566-L593 HydrophobicContact CD1-CD2 3.72Å; I566-L593 HydrophobicContact CG2-CD1 4.28Å; I566-L593 HydrophobicContact CG2-CD2 4.08Å; I566-V605 HydrophobicContact CG1-CG1 4.41Å; I566-V605 HydrophobicContact CG1-CG2 4.24Å; I566-V605 HydrophobicContact CG2-CG2 4.39Å |
| 567 | E | 94.4 | Very high | 80.6 | Confident | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.089 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 153.9 | 174.6 | -65.1 | -179.9 | 179.6 | 0 | 0 | 110.9 | L565 W578 V579 F603 R604 L606 | L565-E567 HydrophobicContact CG-CG 4.38Å; E567-W578 HydrophobicContact CB-CE3 4.13Å; E567-W578 WeakPolarHBondContact OE2-CB 3.35Å; E567-V579 CarbonylContact C-O 3.51Å; E567-V579 VanDerWaalsContact CA-O 3.31Å; E567-V579 WeakPolarHBondContact CA-O 3.35Å; E567-F603 CarbonylContact O-C 3.45Å; E567-F603 VanDerWaalsContact O-CA 3.29Å; E567-F603 WeakPolarHBondContact O-CA 3.22Å; E567-R604 HydrophobicContact CB-CG 4.03Å; E567-R604 PolarHBondContact N-O 2.82Å; E567-R604 PolarHBondContact O-N 2.83Å; E567-R604 IonicContact OE1-NH2 3.41Å; E567-R604 IonicContact OE2-CZ 2.68Å; E567-R604 IonicContact OE2-NE 3.11Å; E567-R604 PolarHBondContact OE2-NE 2.82Å; E567-R604 IonicContact OE2-NH2 3.92Å; E567-R604 PolarHBondContact OE2-NH2 2.73Å; E567-L606 HydrophobicContact CG-CD1 4.05Å |
| 568 | Y | 91.4 | Very high | 80.8 | Confident | 43 Ų | 43 | 56.6 Ų | 56.6 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 158 | 171.7 | 76.6 | -79.7 | 0 | 0 | 0 | 112 | D570 W578 V579 L581 Y601 T602 | Y568-D570 HydrophobicContact CD2-CB 4.37Å; Y568-D570 HydrophobicContact CE2-CB 4.39Å; Y568-W578 VanDerWaalsContact C-CE3 3.43Å; Y568-W578 CarbonylContact O-C 3.59Å; Y568-W578 WeakPolarHBondContact O-CA 3.26Å; Y568-V579 HydrophobicContact CD1-CB 4.07Å; Y568-V579 HydrophobicContact CD1-CG1 4.41Å; Y568-V579 WeakPolarHBondContact CD1-O 3.3Å; Y568-V579 HydrophobicContact CE1-CB 3.72Å; Y568-V579 HydrophobicContact CE1-CG1 3.64Å; Y568-V579 PolarHBondContact N-O 2.76Å; Y568-V579 PolarHBondContact O-N 2.58Å; Y568-L581 HydrophobicContact CD1-CB 3.73Å; Y568-L581 HydrophobicContact CD1-CD1 3.89Å; Y568-L581 HydrophobicContact CD1-CD2 4.3Å; Y568-L581 HydrophobicContact CD1-CG 4.18Å; Y568-L581 HydrophobicContact CE1-CB 4.36Å; Y568-L581 HydrophobicContact CE1-CD1 3.92Å; Y568-Y601 AromaticContact CD2-CD1 3.57Å; Y568-Y601 HydrophobicContact CD2-CD1 3.57Å; Y568-Y601 AromaticContact CD2-CE1 3.63Å; Y568-Y601 HydrophobicContact CD2-CE1 3.63Å; Y568-Y601 HydrophobicContact CE2-CD1 4.17Å; Y568-Y601 AromaticContact CE2-CE1 3.74Å; Y568-Y601 HydrophobicContact CE2-CE1 3.74Å; Y568-Y601 HydrophobicContact CG-CD1 4.27Å; Y568-Y601 HydrophobicContact CG-CE1 4.48Å; Y568-T602 CarbonylContact C-O 3.55Å; Y568-T602 VanDerWaalsContact CA-O 3.27Å; Y568-T602 WeakPolarHBondContact CA-O 3.36Å |
| 569 | M | 88.5 | Confident | 81.2 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 17% | 0.172 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.5 | 164.3 | 172.8 | -178.5 | 60.2 | 0 | 0 | 107.2 | G576 V577 W578 Y601 T602 | M569-G576 VanDerWaalsContact SD-CA 3.53Å; M569-G576 PolarHBondContact SD-N 2.98Å; M569-V577 WeakPolarHBondContact CG-O 3.29Å; M569-W578 HydrophobicContact CB-CD2 3.94Å; M569-W578 HydrophobicContact CB-CE3 3.86Å; M569-W578 HydrophobicContact CB-CH2 4.23Å; M569-W578 HydrophobicContact CB-CZ2 4.29Å; M569-W578 HydrophobicContact CB-CZ3 4Å; M569-W578 HydrophobicContact CE-CZ2 4.08Å; M569-Y601 WeakPolarHBondContact O-CA 3.43Å; M569-T602 PolarHBondContact N-O 3.16Å; M569-T602 PolarHBondContact O-N 3.05Å |
| 570 | D | 80.8 | Confident | 81.7 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 162.6 | 172 | 79.8 | 54.8 | 0 | 0 | 0 | 112.4 | Y568 L572 H573 V599 Y600 Y601 | Y568-D570 HydrophobicContact CD2-CB 4.37Å; Y568-D570 HydrophobicContact CE2-CB 4.39Å; D570-L572 WeakPolarHBondContact OD1-CA 3.21Å; D570-L572 PolarHBondContact OD1-N 2.91Å; D570-H573 IonicContact OD1-CG 3.45Å; D570-H573 PolarHBondContact OD1-N 2.83Å; D570-H573 IonicContact OD1-ND1 3.36Å; D570-H573 PolarHBondContact OD1-ND1 2.75Å; D570-H573 IonicContact OD2-CE1 2.81Å; D570-H573 IonicContact OD2-CG 2.81Å; D570-H573 IonicContact OD2-ND1 3.74Å; D570-H573 PolarHBondContact OD2-ND1 2.89Å; D570-V599 HydrophobicContact CB-CG1 3.94Å; D570-Y600 VanDerWaalsContact CA-O 3.26Å; D570-Y600 WeakPolarHBondContact CA-O 3.41Å; D570-Y600 VanDerWaalsContact CB-O 3.28Å; D570-Y600 WeakPolarHBondContact CB-O 3.4Å; D570-Y601 HydrophobicContact CB-CD1 3.99Å; D570-Y601 HydrophobicContact CB-CE1 4.06Å |
| 571 | L | 65 | Low | 81.7 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 42% | 0.424 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -91.2 | 5.4 | -178.4 | -62.2 | -174.8 | 0 | 0 | 0 | 114.5 | Y600 | L571-Y600 HydrophobicContact CD1-CG 4.21Å; L571-Y600 PolarHBondContact N-O 2.99Å |
| 572 | L | 62.4 | Low | 81.8 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -107.4 | -34 | -175 | -63.3 | -177.2 | 0 | 0 | 0 | 113.3 | D570 V599 F657 | D570-L572 WeakPolarHBondContact OD1-CA 3.21Å; D570-L572 PolarHBondContact OD1-N 2.91Å; L572-V599 HydrophobicContact CD1-CB 4.29Å; L572-V599 HydrophobicContact CD1-CG1 3.95Å; L572-V599 HydrophobicContact CD1-CG2 3.72Å; L572-V599 HydrophobicContact CG-CG1 4.38Å; L572-F657 HydrophobicContact CD1-CB 4.29Å |
| 573 | H | 58.5 | Low | 81.8 | Confident | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.546 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -89.4 | -68.5 | -178.7 | -64.6 | 106.6 | 0 | 0 | 0 | 112.1 | D570 | D570-H573 IonicContact OD1-CG 3.45Å; D570-H573 PolarHBondContact OD1-N 2.83Å; D570-H573 IonicContact OD1-ND1 3.36Å; D570-H573 PolarHBondContact OD1-ND1 2.75Å; D570-H573 IonicContact OD2-CE1 2.81Å; D570-H573 IonicContact OD2-CG 2.81Å; D570-H573 IonicContact OD2-ND1 3.74Å; D570-H573 PolarHBondContact OD2-ND1 2.89Å |
| 574 | Q | 60.7 | Low | 81.8 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | trans | -149.2 | 102.5 | 179 | -65.9 | -169.3 | 20.7 | 0 | 0 | 111.7 | G576 V577 | Q574-G576 PolarHBondContact O-N 3.18Å; Q574-V577 HydrophobicContact CB-CB 3.96Å; Q574-V577 HydrophobicContact CB-CG2 3.81Å; Q574-V577 PolarHBondContact O-N 2.83Å; Q574-V577 VanDerWaalsContact O-N 3.17Å | ||
| 575 | P | 63.2 | Low | 81.6 | Confident | 98 Ų | 98 | 59.6 Ų | 59.6 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 126.7 | 176.4 | -23.9 | 34.5 | 0 | 0 | 0 | 112.1 | ||
| 576 | G | 70.5 | Confident | 81.1 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -4.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | M569 Q574 | M569-G576 VanDerWaalsContact SD-CA 3.53Å; M569-G576 PolarHBondContact SD-N 2.98Å; Q574-G576 PolarHBondContact O-N 3.18Å |
| 577 | V | 79.1 | Confident | 80.6 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | trans | -103 | 131.2 | 176.4 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | M569 Q574 | M569-V577 WeakPolarHBondContact CG-O 3.29Å; Q574-V577 HydrophobicContact CB-CB 3.96Å; Q574-V577 HydrophobicContact CB-CG2 3.81Å; Q574-V577 PolarHBondContact O-N 2.83Å; Q574-V577 VanDerWaalsContact O-N 3.17Å | ||
| 578 | W | 86.3 | Confident | 80.4 | Confident | 54 Ų | 54 | 66.9 Ų | 66.9 | 21% | 0.205 | 38% | 0.378 | C | S | . | . | trans | -97.1 | 143.1 | 176.5 | -68.3 | 90.1 | 0 | 0 | 0 | 110.7 | E567 Y568 M569 T602 R604 P619 | E567-W578 HydrophobicContact CB-CE3 4.13Å; E567-W578 WeakPolarHBondContact OE2-CB 3.35Å; Y568-W578 VanDerWaalsContact C-CE3 3.43Å; Y568-W578 CarbonylContact O-C 3.59Å; Y568-W578 WeakPolarHBondContact O-CA 3.26Å; M569-W578 HydrophobicContact CB-CD2 3.94Å; M569-W578 HydrophobicContact CB-CE3 3.86Å; M569-W578 HydrophobicContact CB-CH2 4.23Å; M569-W578 HydrophobicContact CB-CZ2 4.29Å; M569-W578 HydrophobicContact CB-CZ3 4Å; M569-W578 HydrophobicContact CE-CZ2 4.08Å; W578-T602 HydrophobicContact CH2-CG2 4.01Å; W578-T602 WeakPolarHBondContact CZ3-O 3.25Å; W578-R604 HydrophobicContact CD2-CG 4.1Å; W578-R604 HydrophobicContact CE3-CB 4.47Å; W578-R604 HydrophobicContact CE3-CG 3.66Å; W578-R604 HydrophobicContact CH2-CB 4.08Å; W578-R604 HydrophobicContact CH2-CG 4.08Å; W578-R604 HydrophobicContact CZ2-CG 4.49Å; W578-R604 HydrophobicContact CZ3-CB 3.97Å; W578-R604 HydrophobicContact CZ3-CG 3.66Å; W578-P619 HydrophobicContact CH2-CB 3.96Å; W578-P619 HydrophobicContact CH2-CG 4.21Å; W578-P619 HydrophobicContact CZ2-CB 4.06Å; W578-P619 HydrophobicContact CZ2-CG 3.84Å | ||
| 579 | V | 84.5 | Confident | 80.4 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 131.5 | -173.2 | -177 | 0 | 0 | 0 | 0 | 108.8 | E567 Y568 L581 | E567-V579 CarbonylContact C-O 3.51Å; E567-V579 VanDerWaalsContact CA-O 3.31Å; E567-V579 WeakPolarHBondContact CA-O 3.35Å; Y568-V579 HydrophobicContact CD1-CB 4.07Å; Y568-V579 HydrophobicContact CD1-CG1 4.41Å; Y568-V579 WeakPolarHBondContact CD1-O 3.3Å; Y568-V579 HydrophobicContact CE1-CB 3.72Å; Y568-V579 HydrophobicContact CE1-CG1 3.64Å; Y568-V579 PolarHBondContact N-O 2.76Å; Y568-V579 PolarHBondContact O-N 2.58Å; V579-L581 PolarHBondContact O-N 3.16Å |
| 580 | N | 90.9 | Very high | 80.6 | Confident | 99 Ų | 99 | 68.8 Ų | 68.8 | 53% | 0.529 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.5 | 177.8 | -58.4 | 33.3 | 0 | 0 | 0 | 109.9 | L565 | L565-N580 HydrophobicContact CD1-CB 4.06Å |
| 581 | L | 86.2 | Confident | 81.1 | Confident | 50 Ų | 50 | 68.8 Ų | 68.8 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -51.6 | 179.7 | -170.2 | 47.5 | 0 | 0 | 0 | 112.1 | I566 Y568 V579 L593 L595 F603 | I566-L581 WeakPolarHBondContact O-CB 3.29Å; I566-L581 PolarHBondContact O-N 3.1Å; Y568-L581 HydrophobicContact CD1-CB 3.73Å; Y568-L581 HydrophobicContact CD1-CD1 3.89Å; Y568-L581 HydrophobicContact CD1-CD2 4.3Å; Y568-L581 HydrophobicContact CD1-CG 4.18Å; Y568-L581 HydrophobicContact CE1-CB 4.36Å; Y568-L581 HydrophobicContact CE1-CD1 3.92Å; V579-L581 PolarHBondContact O-N 3.16Å; L581-L593 HydrophobicContact CD2-CB 3.93Å; L581-L593 HydrophobicContact CD2-CD1 3.97Å; L581-L593 HydrophobicContact CD2-CD2 4.13Å; L581-L593 HydrophobicContact CD2-CG 4.22Å; L581-L595 HydrophobicContact CD2-CD2 4.12Å; L581-F603 HydrophobicContact CD2-CD1 4.1Å; L581-F603 HydrophobicContact CD2-CE1 3.69Å |
| 582 | T | 88.9 | Confident | 82.4 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 38% | 0.38 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.3 | 160.2 | -175.7 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | I566 L593 | I566-T582 HydrophobicContact CB-CG2 4.25Å; I566-T582 HydrophobicContact CD1-CG2 3.98Å; I566-T582 HydrophobicContact CG1-CG2 4.44Å; I566-T582 PolarHBondContact N-O 3.33Å; I566-T582 PolarHBondContact O-N 3Å; T582-L593 HydrophobicContact CG2-CD2 3.81Å |
| 583 | E | 90.4 | Very high | 83.8 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.3 | 174.1 | -170.3 | 175.1 | -164.1 | 0 | 0 | 108.7 | N563 F564 L565 Q608 Y613 | N563-E583 HydrophobicContact CB-CG 3.88Å; N563-E583 WeakPolarHBondContact CB-OE1 3.24Å; N563-E583 VanDerWaalsContact CG-OE1 3.3Å; N563-E583 PolarHBondContact ND2-OE1 2.7Å; F564-E583 WeakPolarHBondContact O-CA 3.46Å; L565-E583 HydrophobicContact CD1-CB 4.49Å; E583-Q608 PolarHBondContact OE1-OE1 2.97Å; E583-Y613 PolarHBondContact OE1-OH 3.26Å |
| 584 | V | 89.8 | Confident | 85.1 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 157.9 | 178.1 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | W551 N563 F564 T588 A591 | W551-V584 HydrophobicContact CH2-CG2 3.74Å; W551-V584 HydrophobicContact CZ2-CG2 3.69Å; N563-V584 CarbonylContact C-O 3.58Å; N563-V584 WeakPolarHBondContact CA-O 3.3Å; F564-V584 HydrophobicContact CB-CG2 4.05Å; F564-V584 PolarHBondContact N-O 3.02Å; F564-V584 PolarHBondContact O-N 3.25Å; V584-T588 HydrophobicContact CB-CG2 4.14Å; V584-T588 HydrophobicContact CG2-CG2 4.02Å; V584-A591 HydrophobicContact CG1-CB 4.01Å |
| 585 | S | 91.3 | Very high | 86.4 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 36% | 0.364 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 146.3 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | Q562 T587 T588 | Q562-S585 CarbonylContact O-C 3.59Å; S585-T587 PolarHBondContact O-N 2.74Å; S585-T587 PolarHBondContact OG-N 3.33Å; S585-T587 PolarHBondContact OG-OG1 3.03Å; S585-T588 WeakPolarHBondContact O-CA 3.27Å; S585-T588 WeakPolarHBondContact O-CB 3.33Å; S585-T588 PolarHBondContact O-N 2.87Å; S585-T588 PolarHBondContact O-OG1 2.67Å |
| 586 | G | 84.6 | Confident | 87.4 | Confident | 12 Ų | 12 | 58 Ų | 58 | 12% | 0.124 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I561 Q562 F564 T588 | I561-G586 WeakPolarHBondContact O-CA 3.31Å; Q562-G586 VanDerWaalsContact C-N 3.3Å; Q562-G586 PolarHBondContact O-N 3Å; F564-G586 VanDerWaalsContact CE2-O 3.27Å; F564-G586 WeakPolarHBondContact CE2-O 3.22Å; G586-T588 VanDerWaalsContact C-N 3.27Å |
| 587 | T | 85.9 | Confident | 88.2 | Confident | 126 Ų | 126 | 55.4 Ų | 55.4 | 77% | 0.773 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.2 | 167.4 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | S585 | S585-T587 PolarHBondContact O-N 2.74Å; S585-T587 PolarHBondContact OG-N 3.33Å; S585-T587 PolarHBondContact OG-OG1 3.03Å |
| 588 | T | 88.8 | Confident | 88.5 | Confident | 48 Ų | 48 | 55.9 Ų | 55.9 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | trans | -106.6 | 113.8 | -174.3 | -55.8 | 0 | 0 | 0 | 0 | 110.1 | W551 F564 V584 S585 G586 T590 | W551-T588 WeakPolarHBondContact CZ2-O 3.39Å; F564-T588 WeakPolarHBondContact CD2-O 3.18Å; V584-T588 HydrophobicContact CB-CG2 4.14Å; V584-T588 HydrophobicContact CG2-CG2 4.02Å; S585-T588 WeakPolarHBondContact O-CA 3.27Å; S585-T588 WeakPolarHBondContact O-CB 3.33Å; S585-T588 PolarHBondContact O-N 2.87Å; S585-T588 PolarHBondContact O-OG1 2.67Å; G586-T588 VanDerWaalsContact C-N 3.27Å; T588-T590 WeakPolarHBondContact CG2-O 3.44Å | ||
| 589 | T | 92.1 | Very high | 88.4 | Confident | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.362 | 30% | 0.296 | S | S | . | . | trans | -104 | 16.1 | 178.5 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | T550 W551 P553 | T550-T589 WeakPolarHBondContact CA-O 3.28Å; W551-T589 PolarHBondContact N-O 2.63Å; W551-T589 VanDerWaalsContact N-O 3.11Å; W551-T589 WeakPolarHBondContact O-CB 3.19Å; P553-T589 HydrophobicContact CG-CG2 3.69Å | ||
| 590 | T | 92.3 | Very high | 88.5 | Confident | 59 Ų | 59 | 54.8 Ų | 54.8 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 119.7 | -169.5 | -67 | 0 | 0 | 0 | 0 | 110 | Q548 L549 T550 T588 | Q548-T590 HydrophobicContact CG-CG2 3.82Å; L549-T590 CarbonylContact O-C 3.59Å; L549-T590 WeakPolarHBondContact O-CA 3.33Å; T550-T590 HydrophobicContact CG2-CG2 3.82Å; T550-T590 WeakPolarHBondContact CG2-OG1 3.25Å; T588-T590 WeakPolarHBondContact CG2-O 3.44Å |
| 591 | A | 91.6 | Very high | 88.4 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q548 L549 W551 I566 V584 L593 | Q548-A591 CarbonylContact C-O 3.57Å; Q548-A591 WeakPolarHBondContact CA-O 3.36Å; L549-A591 PolarHBondContact N-O 3.17Å; L549-A591 PolarHBondContact O-N 2.04Å; W551-A591 HydrophobicContact CH2-CB 3.86Å; W551-A591 HydrophobicContact CZ3-CB 4Å; I566-A591 HydrophobicContact CD1-CB 3.55Å; V584-A591 HydrophobicContact CG1-CB 4.01Å; A591-L593 HydrophobicContact CB-CD2 4.05Å |
| 592 | R | 92.3 | Very high | 88.6 | Confident | 97 Ų | 97 | 48.7 Ų | 48.7 | 37% | 0.366 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 100.6 | 170.6 | -169.6 | 168.2 | -61.5 | -130.8 | 0.4 | 110.1 | D541 V547 | D541-R592 IonicContact OD2-CZ 3.49Å; D541-R592 IonicContact OD2-NH1 2.74Å; D541-R592 PolarHBondContact OD2-NH1 3.41Å; D541-R592 IonicContact OD2-NH2 2.7Å; D541-R592 PolarHBondContact OD2-NH2 2.87Å; V547-R592 CarbonylContact O-C 3.45Å; V547-R592 WeakPolarHBondContact O-CA 3.45Å |
| 593 | L | 92.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 135.7 | -175.9 | -50.5 | 179.5 | 0 | 0 | 0 | 109.9 | S546 V547 L549 I566 L581 T582 A591 F603 | S546-L593 CarbonylContact C-O 3.59Å; S546-L593 WeakPolarHBondContact CA-O 3.25Å; S546-L593 WeakPolarHBondContact CB-O 3.26Å; V547-L593 HydrophobicContact CG1-CB 4.21Å; V547-L593 HydrophobicContact CG1-CD1 4.13Å; V547-L593 HydrophobicContact CG1-CG 4.46Å; V547-L593 PolarHBondContact N-O 2.81Å; V547-L593 VanDerWaalsContact N-O 3.11Å; V547-L593 PolarHBondContact O-N 3.46Å; L549-L593 HydrophobicContact CB-CD1 3.76Å; L549-L593 HydrophobicContact CB-CG 4.25Å; L549-L593 HydrophobicContact CD2-CD1 4.09Å; I566-L593 HydrophobicContact CD1-CD2 3.72Å; I566-L593 HydrophobicContact CG2-CD1 4.28Å; I566-L593 HydrophobicContact CG2-CD2 4.08Å; L581-L593 HydrophobicContact CD2-CB 3.93Å; L581-L593 HydrophobicContact CD2-CD1 3.97Å; L581-L593 HydrophobicContact CD2-CD2 4.13Å; L581-L593 HydrophobicContact CD2-CG 4.22Å; T582-L593 HydrophobicContact CG2-CD2 3.81Å; A591-L593 HydrophobicContact CB-CD2 4.05Å; L593-F603 HydrophobicContact CD1-CD1 3.65Å; L593-F603 HydrophobicContact CD1-CD2 4.39Å; L593-F603 HydrophobicContact CD1-CE1 3.64Å; L593-F603 HydrophobicContact CD1-CE2 4.38Å; L593-F603 HydrophobicContact CD1-CG 4.04Å; L593-F603 HydrophobicContact CD1-CZ 4.02Å |
| 594 | Q | 86.5 | Confident | 89.1 | Confident | 128 Ų | 128 | 44.5 Ų | 44.5 | 60% | 0.598 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.1 | 172.1 | -57.4 | -59.7 | -39.8 | 0 | 0 | 109.7 | R545 | R545-Q594 CarbonylContact O-C 3.42Å; R545-Q594 WeakPolarHBondContact O-CA 3.31Å; R545-Q594 PolarHBondContact O-OE1 3.18Å |
| 595 | L | 87.3 | Confident | 89.4 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | trans | -143.6 | 157.6 | -166.8 | -60.6 | 177.5 | 0 | 0 | 0 | 111.7 | R545 V547 L581 Y601 F603 Y623 T625 | R545-L595 CarbonylContact C-O 3.11Å; R545-L595 VanDerWaalsContact CA-O 3.28Å; R545-L595 WeakPolarHBondContact CA-O 3.45Å; R545-L595 PolarHBondContact O-N 2.88Å; V547-L595 HydrophobicContact CB-CD1 4.1Å; V547-L595 HydrophobicContact CG1-CD1 3.67Å; L581-L595 HydrophobicContact CD2-CD2 4.12Å; L595-Y601 HydrophobicContact CB-CD2 4.34Å; L595-Y601 HydrophobicContact CB-CE2 3.74Å; L595-Y601 HydrophobicContact CD1-CD2 3.97Å; L595-Y601 HydrophobicContact CD1-CE2 4.22Å; L595-Y601 HydrophobicContact CD2-CD1 4.09Å; L595-Y601 HydrophobicContact CD2-CD2 3.99Å; L595-Y601 HydrophobicContact CD2-CE1 4.02Å; L595-Y601 HydrophobicContact CD2-CE2 3.89Å; L595-Y601 HydrophobicContact CD2-CG 4.08Å; L595-Y601 HydrophobicContact CG-CD2 4.34Å; L595-Y601 HydrophobicContact CG-CE2 4.16Å; L595-F603 HydrophobicContact CD1-CZ 3.95Å; L595-F603 HydrophobicContact CD2-CE1 3.9Å; L595-F603 HydrophobicContact CD2-CZ 3.78Å; L595-Y623 HydrophobicContact CD1-CD1 4.36Å; L595-Y623 HydrophobicContact CD1-CE1 4.2Å; L595-T625 HydrophobicContact CB-CG2 3.62Å; L595-T625 HydrophobicContact CD1-CG2 3.6Å; L595-T625 HydrophobicContact CG-CG2 4.28Å | ||
| 596 | S | 84.9 | Confident | 89.6 | Confident | 53 Ų | 53 | 41.5 Ų | 41.5 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | trans | -79.9 | 142.6 | 172.4 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | Y601 T625 | S596-Y601 WeakPolarHBondContact CB-OH 3.32Å; S596-Y601 PolarHBondContact N-OH 3.33Å; S596-T625 WeakPolarHBondContact O-CB 3.46Å; S596-T625 PolarHBondContact O-OG1 2.97Å | ||
| 597 | P | 85.6 | Confident | 90.1 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 148.6 | 176.4 | -24.4 | 34.3 | 0 | 0 | 0 | 114.5 | E544 R545 V599 N626 N660 | E544-P597 WeakPolarHBondContact O-CA 3.39Å; R545-P597 HydrophobicContact CG-CG 3.73Å; P597-V599 WeakPolarHBondContact O-CG2 3.34Å; P597-V599 PolarHBondContact O-N 2.88Å; P597-V599 VanDerWaalsContact O-N 3.08Å; P597-N626 WeakPolarHBondContact CA-O 3.35Å; P597-N660 HydrophobicContact CB-CB 3.98Å; P597-N660 WeakPolarHBondContact CB-O 3.37Å; P597-N660 HydrophobicContact CG-CB 4.17Å |
| 598 | Y | 85.8 | Confident | 90.3 | Very high | 73 Ų | 73 | 37.2 Ų | 37.2 | 29% | 0.286 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 3.5 | 173.9 | -159.9 | -126.8 | 0 | 0 | 0 | 117.5 | R624 T625 N626 P627 N660 P662 | Y598-R624 PolarHBondContact O-NE 3.35Å; Y598-R624 PolarHBondContact O-NH2 3.21Å; Y598-T625 WeakPolarHBondContact CA-O 3.5Å; Y598-T625 PolarHBondContact N-O 3.43Å; Y598-T625 PolarHBondContact N-OG1 2.88Å; Y598-N626 PolarHBondContact N-O 2.88Å; Y598-P627 HydrophobicContact CD2-CB 3.82Å; Y598-P627 HydrophobicContact CD2-CG 4.28Å; Y598-P627 HydrophobicContact CG-CB 4.19Å; Y598-N660 WeakPolarHBondContact CB-O 3.49Å; Y598-P662 HydrophobicContact CE1-CB 4.27Å; Y598-P662 HydrophobicContact CE2-CG 4.12Å |
| 599 | V | 84.3 | Confident | 90.4 | Very high | 5 Ų | 5 | 35.1 Ų | 35.1 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | trans | -87.2 | 150.5 | -179.4 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | D570 L572 P597 Y601 R624 T625 | D570-V599 HydrophobicContact CB-CG1 3.94Å; L572-V599 HydrophobicContact CD1-CB 4.29Å; L572-V599 HydrophobicContact CD1-CG1 3.95Å; L572-V599 HydrophobicContact CD1-CG2 3.72Å; L572-V599 HydrophobicContact CG-CG1 4.38Å; P597-V599 WeakPolarHBondContact O-CG2 3.34Å; P597-V599 PolarHBondContact O-N 2.88Å; P597-V599 VanDerWaalsContact O-N 3.08Å; V599-Y601 HydrophobicContact CB-CD2 4.21Å; V599-Y601 HydrophobicContact CB-CE2 3.56Å; V599-Y601 HydrophobicContact CG1-CD2 4.13Å; V599-Y601 HydrophobicContact CG1-CE1 4.16Å; V599-Y601 HydrophobicContact CG1-CE2 3.67Å; V599-R624 WeakPolarHBondContact O-CA 2.98Å; V599-R624 VanDerWaalsContact O-CG 3.32Å; V599-R624 WeakPolarHBondContact O-CG 3.48Å; V599-T625 PolarHBondContact N-OG1 2.79Å; V599-T625 PolarHBondContact O-N 2.84Å; V599-T625 PolarHBondContact O-OG1 2.97Å | ||
| 600 | Y | 86.5 | Confident | 90 | Very high | 90 Ų | 90 | 37.4 Ų | 37.4 | 35% | 0.353 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.4 | 171.2 | -74.9 | -90.4 | 0 | 0 | 0 | 110.5 | D570 L571 Q622 Y623 R624 | D570-Y600 VanDerWaalsContact CA-O 3.26Å; D570-Y600 WeakPolarHBondContact CA-O 3.41Å; D570-Y600 VanDerWaalsContact CB-O 3.28Å; D570-Y600 WeakPolarHBondContact CB-O 3.4Å; L571-Y600 HydrophobicContact CD1-CG 4.21Å; L571-Y600 PolarHBondContact N-O 2.99Å; Y600-Q622 HydrophobicContact CD1-CG 4.17Å; Y600-Y623 CarbonylContact C-O 3.44Å; Y600-Y623 WeakPolarHBondContact CA-O 3.41Å; Y600-R624 HydrophobicContact CD1-CB 3.8Å; Y600-R624 HydrophobicContact CD1-CG 3.97Å; Y600-R624 HydrophobicContact CD2-CG 4.09Å; Y600-R624 HydrophobicContact CE1-CB 3.81Å; Y600-R624 HydrophobicContact CE1-CG 3.97Å; Y600-R624 HydrophobicContact CE2-CG 4.08Å; Y600-R624 HydrophobicContact CG-CB 4.32Å; Y600-R624 HydrophobicContact CG-CG 4.04Å; Y600-R624 PolarHBondContact OH-NH1 3.31Å |
| 601 | Y | 89.2 | Confident | 89.7 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148 | -179.4 | -68 | -80.4 | 0 | 0 | 0 | 111.9 | Y568 M569 D570 L595 S596 V599 F603 Q622 Y623 T625 | Y568-Y601 AromaticContact CD2-CD1 3.57Å; Y568-Y601 HydrophobicContact CD2-CD1 3.57Å; Y568-Y601 AromaticContact CD2-CE1 3.63Å; Y568-Y601 HydrophobicContact CD2-CE1 3.63Å; Y568-Y601 HydrophobicContact CE2-CD1 4.17Å; Y568-Y601 AromaticContact CE2-CE1 3.74Å; Y568-Y601 HydrophobicContact CE2-CE1 3.74Å; Y568-Y601 HydrophobicContact CG-CD1 4.27Å; Y568-Y601 HydrophobicContact CG-CE1 4.48Å; M569-Y601 WeakPolarHBondContact O-CA 3.43Å; D570-Y601 HydrophobicContact CB-CD1 3.99Å; D570-Y601 HydrophobicContact CB-CE1 4.06Å; L595-Y601 HydrophobicContact CB-CD2 4.34Å; L595-Y601 HydrophobicContact CB-CE2 3.74Å; L595-Y601 HydrophobicContact CD1-CD2 3.97Å; L595-Y601 HydrophobicContact CD1-CE2 4.22Å; L595-Y601 HydrophobicContact CD2-CD1 4.09Å; L595-Y601 HydrophobicContact CD2-CD2 3.99Å; L595-Y601 HydrophobicContact CD2-CE1 4.02Å; L595-Y601 HydrophobicContact CD2-CE2 3.89Å; L595-Y601 HydrophobicContact CD2-CG 4.08Å; L595-Y601 HydrophobicContact CG-CD2 4.34Å; L595-Y601 HydrophobicContact CG-CE2 4.16Å; S596-Y601 WeakPolarHBondContact CB-OH 3.32Å; S596-Y601 PolarHBondContact N-OH 3.33Å; V599-Y601 HydrophobicContact CB-CD2 4.21Å; V599-Y601 HydrophobicContact CB-CE2 3.56Å; V599-Y601 HydrophobicContact CG1-CD2 4.13Å; V599-Y601 HydrophobicContact CG1-CE1 4.16Å; V599-Y601 HydrophobicContact CG1-CE2 3.67Å; Y601-F603 VanDerWaalsContact CB-CZ 3.43Å; Y601-F603 HydrophobicContact CD1-CZ 4.46Å; Y601-F603 HydrophobicContact CG-CE1 4.49Å; Y601-F603 HydrophobicContact CG-CZ 4.02Å; Y601-Q622 WeakPolarHBondContact O-CA 3.49Å; Y601-Y623 PolarHBondContact N-O 3.37Å; Y601-Y623 PolarHBondContact O-N 3.11Å; Y601-T625 HydrophobicContact CD2-CG2 4.24Å; Y601-T625 HydrophobicContact CE2-CG2 4.14Å |
| 602 | T | 91.5 | Very high | 89.2 | Confident | 11 Ų | 11 | 38.5 Ų | 38.5 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.6 | 167 | -53.1 | 0 | 0 | 0 | 0 | 107.6 | Y568 M569 W578 P619 S620 Q622 | Y568-T602 CarbonylContact C-O 3.55Å; Y568-T602 VanDerWaalsContact CA-O 3.27Å; Y568-T602 WeakPolarHBondContact CA-O 3.36Å; M569-T602 PolarHBondContact N-O 3.16Å; M569-T602 PolarHBondContact O-N 3.05Å; W578-T602 HydrophobicContact CH2-CG2 4.01Å; W578-T602 WeakPolarHBondContact CZ3-O 3.25Å; T602-P619 HydrophobicContact CG2-CB 3.92Å; T602-S620 VanDerWaalsContact CG2-O 3.29Å; T602-S620 WeakPolarHBondContact CG2-O 3.4Å; T602-Q622 PolarHBondContact OG1-NE2 2.74Å |
| 603 | F | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 156.3 | -173.1 | -54 | -78.8 | 0 | 0 | 0 | 112.5 | L539 V547 L549 E567 L581 L593 L595 Y601 P619 S620 | L539-F603 HydrophobicContact CD1-CD2 4.03Å; L539-F603 HydrophobicContact CD1-CE2 4.22Å; L539-F603 HydrophobicContact CD2-CD2 3.82Å; L539-F603 HydrophobicContact CD2-CE2 4.04Å; V547-F603 HydrophobicContact CG1-CE2 4.03Å; V547-F603 HydrophobicContact CG1-CZ 4.11Å; L549-F603 HydrophobicContact CD1-CB 4.45Å; L549-F603 HydrophobicContact CD2-CB 3.94Å; L549-F603 HydrophobicContact CD2-CG 4.48Å; E567-F603 CarbonylContact O-C 3.45Å; E567-F603 VanDerWaalsContact O-CA 3.29Å; E567-F603 WeakPolarHBondContact O-CA 3.22Å; L581-F603 HydrophobicContact CD2-CD1 4.1Å; L581-F603 HydrophobicContact CD2-CE1 3.69Å; L593-F603 HydrophobicContact CD1-CD1 3.65Å; L593-F603 HydrophobicContact CD1-CD2 4.39Å; L593-F603 HydrophobicContact CD1-CE1 3.64Å; L593-F603 HydrophobicContact CD1-CE2 4.38Å; L593-F603 HydrophobicContact CD1-CG 4.04Å; L593-F603 HydrophobicContact CD1-CZ 4.02Å; L595-F603 HydrophobicContact CD1-CZ 3.95Å; L595-F603 HydrophobicContact CD2-CE1 3.9Å; L595-F603 HydrophobicContact CD2-CZ 3.78Å; Y601-F603 VanDerWaalsContact CB-CZ 3.43Å; Y601-F603 HydrophobicContact CD1-CZ 4.46Å; Y601-F603 HydrophobicContact CG-CE1 4.49Å; Y601-F603 HydrophobicContact CG-CZ 4.02Å; F603-P619 CarbonylContact O-C 3.48Å; F603-P619 WeakPolarHBondContact O-CA 3.37Å; F603-S620 PolarHBondContact N-OG 2.79Å; F603-S620 PolarHBondContact O-N 3.19Å |
| 604 | R | 95.1 | Very high | 89.1 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 21% | 0.211 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.3 | 166.1 | 71.4 | -175.1 | -174.6 | 167.6 | 3.7 | 110.1 | E567 W578 P616 S617 | E567-R604 HydrophobicContact CB-CG 4.03Å; E567-R604 PolarHBondContact N-O 2.82Å; E567-R604 PolarHBondContact O-N 2.83Å; E567-R604 IonicContact OE1-NH2 3.41Å; E567-R604 IonicContact OE2-CZ 2.68Å; E567-R604 IonicContact OE2-NE 3.11Å; E567-R604 PolarHBondContact OE2-NE 2.82Å; E567-R604 IonicContact OE2-NH2 3.92Å; E567-R604 PolarHBondContact OE2-NH2 2.73Å; W578-R604 HydrophobicContact CD2-CG 4.1Å; W578-R604 HydrophobicContact CE3-CB 4.47Å; W578-R604 HydrophobicContact CE3-CG 3.66Å; W578-R604 HydrophobicContact CH2-CB 4.08Å; W578-R604 HydrophobicContact CH2-CG 4.08Å; W578-R604 HydrophobicContact CZ2-CG 4.49Å; W578-R604 HydrophobicContact CZ3-CB 3.97Å; W578-R604 HydrophobicContact CZ3-CG 3.66Å; R604-P616 HydrophobicContact CG-CB 4.36Å; R604-S617 WeakPolarHBondContact CA-OG 3.19Å; R604-S617 WeakPolarHBondContact CB-OG 3.45Å |
| 605 | V | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.1 | -176 | -171.1 | 0 | 0 | 0 | 0 | 110.6 | P534 L537 L549 W551 F564 L565 I566 S617 | P534-V605 HydrophobicContact CB-CB 4.27Å; P534-V605 HydrophobicContact CB-CG1 4.42Å; P534-V605 HydrophobicContact CG-CB 4.21Å; P534-V605 HydrophobicContact CG-CG1 4.02Å; L537-V605 HydrophobicContact CD2-CG2 4.08Å; L537-V605 HydrophobicContact CG-CG2 4.42Å; L549-V605 HydrophobicContact CD2-CG2 3.84Å; W551-V605 HydrophobicContact CD2-CG1 4.32Å; W551-V605 HydrophobicContact CD2-CG2 4.14Å; W551-V605 HydrophobicContact CE3-CG2 4.17Å; W551-V605 HydrophobicContact CG-CG2 4.41Å; W551-V605 HydrophobicContact CZ2-CG1 4.47Å; F564-V605 HydrophobicContact CB-CG1 3.74Å; F564-V605 HydrophobicContact CD1-CG1 4.03Å; F564-V605 HydrophobicContact CG-CG1 4.2Å; L565-V605 CarbonylContact O-C 3.47Å; L565-V605 WeakPolarHBondContact O-CA 3.43Å; I566-V605 HydrophobicContact CG1-CG1 4.41Å; I566-V605 HydrophobicContact CG1-CG2 4.24Å; I566-V605 HydrophobicContact CG2-CG2 4.39Å; V605-S617 PolarHBondContact N-OG 2.83Å; V605-S617 WeakPolarHBondContact O-CB 3.31Å; V605-S617 PolarHBondContact O-N 2.74Å |
| 606 | L | 95.6 | Very high | 89.7 | Confident | 16 Ų | 16 | 38.3 Ų | 38.3 | 8% | 0.084 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.3 | 170.5 | -62.9 | 74.5 | 0 | 0 | 0 | 108.2 | F564 L565 E567 Y613 P616 | F564-L606 CarbonylContact C-O 3.57Å; F564-L606 VanDerWaalsContact CA-O 3.24Å; F564-L606 WeakPolarHBondContact CA-O 3.47Å; L565-L606 HydrophobicContact CB-CB 4.41Å; L565-L606 PolarHBondContact N-O 2.85Å; L565-L606 PolarHBondContact O-N 3.28Å; E567-L606 HydrophobicContact CG-CD1 4.05Å; L606-Y613 HydrophobicContact CB-CD1 4.09Å; L606-Y613 HydrophobicContact CD2-CD1 4.45Å; L606-P616 HydrophobicContact CD1-CB 4.03Å; L606-P616 HydrophobicContact CD1-CG 4.23Å; L606-P616 HydrophobicContact CD2-CG 4.22Å; L606-P616 HydrophobicContact CG-CB 4.09Å; L606-P616 HydrophobicContact CG-CG 4.07Å |
| 607 | A | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 153 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P531 P534 I561 F564 Y613 S614 | P531-A607 HydrophobicContact CB-CB 3.88Å; P531-A607 HydrophobicContact CG-CB 4.22Å; P534-A607 HydrophobicContact CG-CB 4.07Å; I561-A607 HydrophobicContact CD1-CB 4.09Å; I561-A607 HydrophobicContact CG1-CB 4.44Å; I561-A607 HydrophobicContact CG2-CB 4.12Å; F564-A607 HydrophobicContact CD1-CB 3.89Å; F564-A607 HydrophobicContact CE1-CB 3.68Å; A607-Y613 CarbonylContact O-C 3.58Å; A607-Y613 VanDerWaalsContact O-CA 3.25Å; A607-Y613 WeakPolarHBondContact O-CA 3.37Å; A607-S614 PolarHBondContact N-OG 2.72Å; A607-S614 PolarHBondContact O-N 2.7Å |
| 608 | Q | 91.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 43.7 Ų | 43.7 | 22% | 0.22 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 134 | 175 | -159.3 | -164.7 | 14.8 | 0 | 0 | 111.9 | I561 Q562 N563 E583 G612 Y613 | I561-Q608 CarbonylContact C-O 3.49Å; I561-Q608 WeakPolarHBondContact CA-O 3.42Å; Q562-Q608 PolarHBondContact N-O 2.86Å; N563-Q608 HydrophobicContact CB-CB 4.36Å; N563-Q608 PolarHBondContact N-O 2.95Å; N563-Q608 PolarHBondContact O-N 3.16Å; E583-Q608 PolarHBondContact OE1-OE1 2.97Å; Q608-G612 WeakPolarHBondContact CA-O 3.36Å; Q608-Y613 HydrophobicContact CB-CD1 3.65Å; Q608-Y613 HydrophobicContact CB-CE1 3.66Å; Q608-Y613 HydrophobicContact CB-CG 4.33Å; Q608-Y613 VanDerWaalsContact CD-CZ 3.5Å; Q608-Y613 HydrophobicContact CG-CD1 3.74Å; Q608-Y613 HydrophobicContact CG-CD2 4.16Å; Q608-Y613 HydrophobicContact CG-CE1 3.74Å; Q608-Y613 HydrophobicContact CG-CE2 4.16Å; Q608-Y613 HydrophobicContact CG-CG 3.97Å |
| 609 | N | 90.5 | Very high | 90.8 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -171.8 | 166.2 | 74.6 | 5.7 | 0 | 0 | 0 | 111 | E529 P531 E556 S559 P560 V611 G612 | E529-N609 PolarHBondContact O-ND2 3.48Å; P531-N609 WeakPolarHBondContact CD-OD1 3.42Å; P531-N609 HydrophobicContact CG-CB 3.75Å; E556-N609 PolarHBondContact O-ND2 3.03Å; S559-N609 WeakPolarHBondContact CB-ND2 3.36Å; S559-N609 WeakPolarHBondContact O-CB 3.43Å; S559-N609 PolarHBondContact O-ND2 3.22Å; S559-N609 WeakPolarHBondContact OG-CB 3.29Å; P560-N609 VanDerWaalsContact O-CB 3.28Å; P560-N609 WeakPolarHBondContact O-CB 3.28Å; N609-V611 PolarHBondContact O-N 2.84Å; N609-V611 VanDerWaalsContact OD1-CB 3.31Å; N609-V611 WeakPolarHBondContact OD1-CB 3.15Å; N609-V611 PolarHBondContact OD1-N 2.81Å; N609-G612 PolarHBondContact N-O 2.79Å; N609-G612 VanDerWaalsContact N-O 3.13Å; N609-G612 PolarHBondContact O-N 2.6Å; N609-G612 PolarHBondContact OD1-N 2.78Å |
| 610 | D | 82.7 | Confident | 91.2 | Very high | 107 Ų | 107 | 43.6 Ų | 43.6 | 57% | 0.572 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -16.2 | -178.9 | -61.1 | -82.2 | 0 | 0 | 0 | 114.1 | S559 Q562 | S559-D610 VanDerWaalsContact OG-CB 3.29Å; S559-D610 WeakPolarHBondContact OG-CB 3.19Å; S559-D610 PolarHBondContact OG-N 2.93Å; S559-D610 PolarHBondContact OG-OD2 3Å; Q562-D610 PolarHBondContact NE2-OD1 3.08Å; Q562-D610 PolarHBondContact NE2-OD2 2.87Å; Q562-D610 VanDerWaalsContact NE2-OD2 3.11Å |
| 611 | V | 86.8 | Confident | 91.2 | Very high | 70 Ų | 70 | 43 Ų | 43 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -26.4 | -176.7 | -166.9 | 0 | 0 | 0 | 0 | 112 | L528 E529 N609 | L528-V611 HydrophobicContact CB-CG2 3.45Å; L528-V611 VanDerWaalsContact CB-CG2 3.45Å; E529-V611 WeakPolarHBondContact O-CG2 3.24Å; N609-V611 PolarHBondContact O-N 2.84Å; N609-V611 VanDerWaalsContact OD1-CB 3.31Å; N609-V611 WeakPolarHBondContact OD1-CB 3.15Å; N609-V611 PolarHBondContact OD1-N 2.81Å |
| 612 | G | 81.4 | Confident | 91.1 | Very high | 22 Ų | 22 | 47.2 Ų | 47.2 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.7 | -168.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | P531 Q608 N609 | P531-G612 VanDerWaalsContact CD-O 3.3Å; P531-G612 WeakPolarHBondContact CD-O 3.19Å; Q608-G612 WeakPolarHBondContact CA-O 3.36Å; N609-G612 PolarHBondContact N-O 2.79Å; N609-G612 VanDerWaalsContact N-O 3.13Å; N609-G612 PolarHBondContact O-N 2.6Å; N609-G612 PolarHBondContact OD1-N 2.78Å |
| 613 | Y | 88.2 | Confident | 90.9 | Very high | 88 Ų | 88 | 47.5 Ų | 47.5 | 35% | 0.345 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 144.8 | 176.1 | -70.5 | -81.7 | 0 | 0 | 0 | 112.1 | K530 L565 E583 L606 A607 Q608 | K530-Y613 VanDerWaalsContact CD-O 3.27Å; K530-Y613 WeakPolarHBondContact CD-O 3.38Å; L565-Y613 HydrophobicContact CB-CD1 4.38Å; L565-Y613 HydrophobicContact CB-CE1 3.71Å; L565-Y613 HydrophobicContact CD2-CE1 4.05Å; E583-Y613 PolarHBondContact OE1-OH 3.26Å; L606-Y613 HydrophobicContact CB-CD1 4.09Å; L606-Y613 HydrophobicContact CD2-CD1 4.45Å; A607-Y613 CarbonylContact O-C 3.58Å; A607-Y613 VanDerWaalsContact O-CA 3.25Å; A607-Y613 WeakPolarHBondContact O-CA 3.37Å; Q608-Y613 HydrophobicContact CB-CD1 3.65Å; Q608-Y613 HydrophobicContact CB-CE1 3.66Å; Q608-Y613 HydrophobicContact CB-CG 4.33Å; Q608-Y613 VanDerWaalsContact CD-CZ 3.5Å; Q608-Y613 HydrophobicContact CG-CD1 3.74Å; Q608-Y613 HydrophobicContact CG-CD2 4.16Å; Q608-Y613 HydrophobicContact CG-CE1 3.74Å; Q608-Y613 HydrophobicContact CG-CE2 4.16Å; Q608-Y613 HydrophobicContact CG-CG 3.97Å |
| 614 | S | 94.1 | Very high | 90.5 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -61 | 170.7 | 164.2 | 73.2 | 0 | 0 | 0 | 0 | 111.1 | P531 A607 | P531-S614 VanDerWaalsContact O-CA 3.31Å; P531-S614 WeakPolarHBondContact O-CA 3.35Å; P531-S614 WeakPolarHBondContact O-CB 3.5Å; A607-S614 PolarHBondContact N-OG 2.72Å; A607-S614 PolarHBondContact O-N 2.7Å |
| 615 | D | 93.2 | Very high | 90.1 | Very high | 96 Ų | 96 | 48.7 Ų | 48.7 | 51% | 0.513 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 158.9 | 158.1 | -57.7 | -53.4 | 0 | 0 | 0 | 109.6 | K530 P533 | K530-D615 IonicContact NZ-OD1 2.85Å; K530-D615 PolarHBondContact NZ-OD1 3.39Å; K530-D615 IonicContact NZ-OD2 2.71Å; K530-D615 PolarHBondContact NZ-OD2 2.73Å; P533-D615 WeakPolarHBondContact CB-O 3.25Å |
| 616 | P | 92 | Very high | 89.6 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 31% | 0.305 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 150.5 | -178.2 | -18.3 | 32.3 | 0 | 0 | 0 | 113.3 | R604 L606 | R604-P616 HydrophobicContact CG-CB 4.36Å; L606-P616 HydrophobicContact CD1-CB 4.03Å; L606-P616 HydrophobicContact CD1-CG 4.23Å; L606-P616 HydrophobicContact CD2-CG 4.22Å; L606-P616 HydrophobicContact CG-CB 4.09Å; L606-P616 HydrophobicContact CG-CG 4.07Å |
| 617 | S | 95.7 | Very high | 89.2 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 160.2 | 167.7 | 78 | 0 | 0 | 0 | 0 | 111.9 | P534 L537 R604 V605 | P534-S617 WeakPolarHBondContact O-CB 3.49Å; L537-S617 VanDerWaalsContact CD2-OG 3.32Å; L537-S617 WeakPolarHBondContact CD2-OG 3.42Å; R604-S617 WeakPolarHBondContact CA-OG 3.19Å; R604-S617 WeakPolarHBondContact CB-OG 3.45Å; V605-S617 PolarHBondContact N-OG 2.83Å; V605-S617 WeakPolarHBondContact O-CB 3.31Å; V605-S617 PolarHBondContact O-N 2.74Å |
| 618 | E | 93 | Very high | 89 | Confident | 163 Ų | 163 | 54 Ų | 54 | 76% | 0.762 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 145.5 | 160.9 | -73.8 | -63.6 | 159 | 0 | 0 | 110.4 | ||
| 619 | P | 91.3 | Very high | 88.8 | Confident | 66 Ų | 66 | 53 Ų | 53 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 143.7 | 179.2 | -26 | 36.8 | 0 | 0 | 0 | 113.9 | W578 T602 F603 | W578-P619 HydrophobicContact CH2-CB 3.96Å; W578-P619 HydrophobicContact CH2-CG 4.21Å; W578-P619 HydrophobicContact CZ2-CB 4.06Å; W578-P619 HydrophobicContact CZ2-CG 3.84Å; T602-P619 HydrophobicContact CG2-CB 3.92Å; F603-P619 CarbonylContact O-C 3.48Å; F603-P619 WeakPolarHBondContact O-CA 3.37Å |
| 620 | S | 92.7 | Very high | 88.9 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -61 | 167.6 | 171 | 78.7 | 0 | 0 | 0 | 0 | 112.1 | T602 F603 | T602-S620 VanDerWaalsContact CG2-O 3.29Å; T602-S620 WeakPolarHBondContact CG2-O 3.4Å; F603-S620 PolarHBondContact N-OG 2.79Å; F603-S620 PolarHBondContact O-N 3.19Å |
| 621 | A | 87.6 | Confident | 89.2 | Confident | 76 Ų | 76 | 52 Ų | 52 | 63% | 0.628 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 145.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L539 | L539-A621 WeakPolarHBondContact CD1-O 3.16Š|
| 622 | Q | 85.9 | Confident | 89.4 | Confident | 100 Ų | 100 | 52.5 Ų | 52.5 | 47% | 0.467 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 130.4 | 174.8 | 177.5 | 165.9 | 86.9 | 0 | 0 | 110.6 | Y600 Y601 T602 | Y600-Q622 HydrophobicContact CD1-CG 4.17Å; Y601-Q622 WeakPolarHBondContact O-CA 3.49Å; T602-Q622 PolarHBondContact OG1-NE2 2.74Å |
| 623 | Y | 86.9 | Confident | 90 | Very high | 17 Ų | 17 | 53 Ų | 53 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 154.6 | 179.1 | 170.4 | -116.4 | 0 | 0 | 0 | 110.9 | Q542 M543 V547 L595 Y600 Y601 T625 | Q542-Y623 HydrophobicContact CB-CE2 3.6Å; Q542-Y623 WeakPolarHBondContact CB-OH 3.02Å; Q542-Y623 HydrophobicContact CG-CD2 3.87Å; Q542-Y623 HydrophobicContact CG-CE1 4.45Å; Q542-Y623 HydrophobicContact CG-CE2 3.41Å; Q542-Y623 VanDerWaalsContact CG-CE2 3.41Å; M543-Y623 PolarHBondContact N-OH 3.17Å; M543-Y623 PolarHBondContact O-OH 3.45Å; V547-Y623 HydrophobicContact CB-CD1 4.11Å; V547-Y623 HydrophobicContact CB-CE1 3.86Å; V547-Y623 HydrophobicContact CG1-CD1 4.38Å; V547-Y623 HydrophobicContact CG2-CD1 4.07Å; V547-Y623 HydrophobicContact CG2-CE1 4.02Å; L595-Y623 HydrophobicContact CD1-CD1 4.36Å; L595-Y623 HydrophobicContact CD1-CE1 4.2Å; Y600-Y623 CarbonylContact C-O 3.44Å; Y600-Y623 WeakPolarHBondContact CA-O 3.41Å; Y601-Y623 PolarHBondContact N-O 3.37Å; Y601-Y623 PolarHBondContact O-N 3.11Å; Y623-T625 HydrophobicContact CE1-CG2 3.84Å |
| 624 | R | 87.5 | Confident | 90.2 | Very high | 79 Ų | 79 | 49.2 Ų | 49.2 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.9 | 171.8 | -164.5 | -164.5 | -170.6 | 148.8 | 8.4 | 110.1 | Y598 V599 Y600 | Y598-R624 PolarHBondContact O-NE 3.35Å; Y598-R624 PolarHBondContact O-NH2 3.21Å; V599-R624 WeakPolarHBondContact O-CA 2.98Å; V599-R624 VanDerWaalsContact O-CG 3.32Å; V599-R624 WeakPolarHBondContact O-CG 3.48Å; Y600-R624 HydrophobicContact CD1-CB 3.8Å; Y600-R624 HydrophobicContact CD1-CG 3.97Å; Y600-R624 HydrophobicContact CD2-CG 4.09Å; Y600-R624 HydrophobicContact CE1-CB 3.81Å; Y600-R624 HydrophobicContact CE1-CG 3.97Å; Y600-R624 HydrophobicContact CE2-CG 4.08Å; Y600-R624 HydrophobicContact CG-CB 4.32Å; Y600-R624 HydrophobicContact CG-CG 4.04Å; Y600-R624 PolarHBondContact OH-NH1 3.31Å |
| 625 | T | 85.3 | Confident | 90 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 148 | 174.5 | 43.2 | 0 | 0 | 0 | 0 | 111.9 | E544 L595 S596 Y598 V599 Y601 Y623 | E544-T625 WeakPolarHBondContact O-CB 3.38Å; L595-T625 HydrophobicContact CB-CG2 3.62Å; L595-T625 HydrophobicContact CD1-CG2 3.6Å; L595-T625 HydrophobicContact CG-CG2 4.28Å; S596-T625 WeakPolarHBondContact O-CB 3.46Å; S596-T625 PolarHBondContact O-OG1 2.97Å; Y598-T625 WeakPolarHBondContact CA-O 3.5Å; Y598-T625 PolarHBondContact N-O 3.43Å; Y598-T625 PolarHBondContact N-OG1 2.88Å; V599-T625 PolarHBondContact N-OG1 2.79Å; V599-T625 PolarHBondContact O-N 2.84Å; V599-T625 PolarHBondContact O-OG1 2.97Å; Y601-T625 HydrophobicContact CD2-CG2 4.24Å; Y601-T625 HydrophobicContact CE2-CG2 4.14Å; Y623-T625 HydrophobicContact CE1-CG2 3.84Å |
| 626 | N | 85.6 | Confident | 89.9 | Confident | 84 Ų | 84 | 52.8 Ų | 52.8 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.4 | 173.2 | -65.7 | -43.4 | 0 | 0 | 0 | 110.4 | M543 E544 P597 Y598 | M543-N626 PolarHBondContact O-N 2.89Å; E544-N626 WeakPolarHBondContact CA-O 3.41Å; E544-N626 HydrophobicContact CB-CB 3.99Å; P597-N626 WeakPolarHBondContact CA-O 3.35Å; Y598-N626 PolarHBondContact N-O 2.88Å |
| 627 | P | 86.9 | Confident | 90 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 153.2 | 174.8 | 30.4 | -35.9 | 0 | 0 | 0 | 112.7 | Y598 N660 Y711 | Y598-P627 HydrophobicContact CD2-CB 3.82Å; Y598-P627 HydrophobicContact CD2-CG 4.28Å; Y598-P627 HydrophobicContact CG-CB 4.19Å; P627-N660 CarbonylContact C-O 3.2Å; P627-N660 VanDerWaalsContact CA-O 3.28Å; P627-N660 WeakPolarHBondContact CA-O 3.42Å; P627-Y711 HydrophobicContact CB-CD2 3.89Å; P627-Y711 HydrophobicContact CB-CE2 3.73Å; P627-Y711 HydrophobicContact CB-CG 4.41Å; P627-Y711 HydrophobicContact CG-CD1 4.32Å; P627-Y711 HydrophobicContact CG-CD2 4.03Å; P627-Y711 HydrophobicContact CG-CE1 3.76Å; P627-Y711 HydrophobicContact CG-CE2 3.44Å; P627-Y711 VanDerWaalsContact CG-CE2 3.44Å; P627-Y711 HydrophobicContact CG-CG 4.45Å; P627-Y711 WeakPolarHBondContact CG-OH 3.43Å |
| 628 | S | 89.1 | Confident | 89.9 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | trans | -135.8 | 177.2 | -180 | -156.6 | 0 | 0 | 0 | 0 | 110.3 | E544 N660 N709 | E544-S628 WeakPolarHBondContact OE2-CB 3.48Å; E544-S628 PolarHBondContact OE2-OG 2.88Å; S628-N660 PolarHBondContact N-O 3.33Å; S628-N660 CarbonylContact O-C 3.53Å; S628-N660 WeakPolarHBondContact O-CB 3.25Å; S628-N709 PolarHBondContact O-ND2 2.89Å | ||
| 629 | A | 89.3 | Confident | 90 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 22% | 0.215 | 28% | 0.275 | C | S | . | . | trans | -70.7 | 156.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N660 | A629-N660 VanDerWaalsContact O-CB 3.26Å; A629-N660 WeakPolarHBondContact O-CB 3.3Å; A629-N660 PolarHBondContact O-ND2 3.29Å | ||
| 630 | P | 92.1 | Very high | 90 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.019 | 28% | 0.28 | C | S | . | . | trans | -69 | 136 | 176.6 | -10.8 | 27 | 0 | 0 | 0 | 110.6 | L654 A707 N709 A714 | P630-L654 HydrophobicContact CB-CD1 4.32Å; P630-A707 HydrophobicContact CB-CB 4.38Å; P630-A707 HydrophobicContact CG-CB 4.49Å; P630-N709 HydrophobicContact CG-CB 4.15Å; P630-A714 HydrophobicContact CB-CB 4.35Å; P630-A714 VanDerWaalsContact O-CA 3.29Å; P630-A714 WeakPolarHBondContact O-CA 3.47Å; P630-A714 WeakPolarHBondContact O-CB 3.21Å | ||
| 631 | D | 89.4 | Confident | 89.9 | Confident | 89 Ų | 89 | 49.2 Ų | 49.2 | 48% | 0.476 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -80.2 | -18.6 | -175.6 | -63.8 | -43.8 | 0 | 0 | 0 | 113.5 | R545 N660 P715 | R545-D631 IonicContact CZ-OD1 3.82Å; R545-D631 IonicContact CZ-OD2 3.51Å; R545-D631 IonicContact NH1-OD1 3.19Å; R545-D631 IonicContact NH1-OD2 3.31Å; R545-D631 PolarHBondContact NH1-OD2 2.93Å; R545-D631 IonicContact NH2-OD1 3.35Å; R545-D631 PolarHBondContact NH2-OD1 3.06Å; R545-D631 IonicContact NH2-OD2 2.75Å; R545-D631 PolarHBondContact NH2-OD2 3.02Å; D631-N660 PolarHBondContact N-ND2 2.81Å; D631-N660 PolarHBondContact OD2-ND2 2.79Å; D631-P715 WeakPolarHBondContact O-CD 3.42Å |
| 632 | E | 91.1 | Very high | 89.9 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -137.4 | 166 | -171.2 | 64.5 | 179.8 | 134.2 | 0 | 0 | 113.1 | L654 Q658 A714 | E632-L654 HydrophobicContact CG-CD1 4.41Å; E632-L654 HydrophobicContact CG-CD2 3.87Å; E632-L654 WeakPolarHBondContact O-CD1 3.35Å; E632-Q658 VanDerWaalsContact CD-NE2 3.33Å; E632-Q658 WeakPolarHBondContact OE1-CG 3.26Å; E632-Q658 PolarHBondContact OE1-NE2 3.17Å; E632-Q658 PolarHBondContact OE2-NE2 3.25Å; E632-A714 VanDerWaalsContact O-CB 3.26Å; E632-A714 WeakPolarHBondContact O-CB 3.5Å |
| 633 | N | 93.7 | Very high | 90 | Very high | 32 Ų | 32 | 50.5 Ų | 50.5 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 157.1 | 176.5 | -79.3 | -49.1 | 0 | 0 | 0 | 111.4 | Q706 A707 A714 P715 | N633-Q706 VanDerWaalsContact OD1-CA 3.29Å; N633-Q706 WeakPolarHBondContact OD1-CA 3.36Å; N633-A707 PolarHBondContact OD1-N 2.9Å; N633-A714 WeakPolarHBondContact OD1-CB 3.3Å; N633-P715 PolarHBondContact ND2-O 2.93Å |
| 634 | P | 91.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 51.4 Ų | 51.4 | 6% | 0.058 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 144.4 | 178.2 | 28.1 | -36.1 | 0 | 0 | 0 | 112 | W651 K652 Y666 V705 | P634-W651 HydrophobicContact CB-CB 4.12Å; P634-W651 HydrophobicContact CB-CG 4.05Å; P634-W651 HydrophobicContact CG-CB 4.41Å; P634-W651 HydrophobicContact CG-CG 4.2Å; P634-K652 WeakPolarHBondContact CB-O 3.39Å; P634-Y666 HydrophobicContact CB-CD1 4.37Å; P634-Y666 HydrophobicContact CB-CE1 4.02Å; P634-Y666 HydrophobicContact CG-CD1 3.76Å; P634-Y666 HydrophobicContact CG-CE1 3.85Å; P634-V705 HydrophobicContact CG-CB 4Å; P634-V705 HydrophobicContact CG-CG1 3.53Å |
| 635 | T | 90.9 | Very high | 90.3 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 42% | 0.417 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 171.1 | 179.8 | 38.1 | 0 | 0 | 0 | 0 | 111.5 | V637 K652 | T635-V637 VanDerWaalsContact C-N 3.28Å; T635-V637 PolarHBondContact O-N 2.82Å; T635-K652 WeakPolarHBondContact O-CB 3.38Å; T635-K652 PolarHBondContact O-N 3.38Å |
| 636 | N | 91.3 | Very high | 90.7 | Very high | 108 Ų | 108 | 51.5 Ų | 51.5 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51 | 44.2 | -177.8 | -61.1 | 35.3 | 0 | 0 | 0 | 113.1 | E638 W651 K652 | N636-E638 PolarHBondContact O-N 2.74Å; N636-W651 WeakPolarHBondContact O-CA 3.27Å; N636-K652 HydrophobicContact CB-CB 4.36Å |
| 637 | V | 94 | Very high | 91.2 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 118.8 | 170 | 175.7 | 0 | 0 | 0 | 0 | 108.1 | T635 S650 W651 I703 V705 V720 | T635-V637 VanDerWaalsContact C-N 3.28Å; T635-V637 PolarHBondContact O-N 2.82Å; V637-S650 CarbonylContact C-O 3.55Å; V637-S650 WeakPolarHBondContact CA-O 3.12Å; V637-W651 HydrophobicContact CG2-CB 4.01Å; V637-I703 HydrophobicContact CG1-CG2 3.79Å; V637-V705 HydrophobicContact CG1-CG2 3.76Å; V637-V705 HydrophobicContact CG2-CB 3.94Å; V637-V705 HydrophobicContact CG2-CG2 3.9Å; V637-V720 HydrophobicContact CB-CG2 4.06Å; V637-V720 HydrophobicContact CG1-CB 4.23Å; V637-V720 HydrophobicContact CG1-CG2 3.98Å |
| 638 | E | 94 | Very high | 91.6 | Very high | 104 Ų | 104 | 47 Ų | 47 | 49% | 0.486 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 153 | -176.8 | -71.2 | 173 | -151.4 | 0 | 0 | 109.9 | N636 I649 S650 | N636-E638 PolarHBondContact O-N 2.74Å; E638-I649 CarbonylContact O-C 3.39Å; E638-I649 WeakPolarHBondContact O-CA 3.16Å; E638-S650 PolarHBondContact N-O 3.18Å; E638-S650 PolarHBondContact O-N 2.84Å |
| 639 | G | 93.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 11% | 0.113 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 103.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V648 G722 Y723 | G639-V648 CarbonylContact C-O 3.55Å; G639-V648 WeakPolarHBondContact CA-O 3.16Å; G639-G722 CarbonylContact O-C 3.49Å; G639-G722 WeakPolarHBondContact O-CA 3.26Å; G639-Y723 PolarHBondContact O-N 3.04Å |
| 640 | A | 92.7 | Very high | 92.2 | Very high | 64 Ų | 64 | 46.8 Ų | 46.8 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | B | Isolated β-bridge | trans | -143.3 | 101.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T642 V648 | A640-T642 PolarHBondContact O-N 2.79Å; A640-V648 PolarHBondContact N-O 2.84Å; A640-V648 WeakPolarHBondContact O-CB 3.09Å |
| 641 | G | 89 | Confident | 92.3 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | trans | -64.7 | 131.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | N646 Y723 G725 | G641-N646 WeakPolarHBondContact CA-O 3.49Å; G641-N646 VanDerWaalsContact CA-OD1 3.28Å; G641-N646 WeakPolarHBondContact CA-OD1 3.47Å; G641-Y723 PolarHBondContact N-O 3.28Å; G641-G725 VanDerWaalsContact O-CA 3.24Å; G641-G725 WeakPolarHBondContact O-CA 3.37Å | ||
| 642 | T | 87.6 | Confident | 92.4 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 52% | 0.521 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -82.9 | -33.6 | 179.2 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | A640 N646 V648 K819 | A640-T642 PolarHBondContact O-N 2.79Å; T642-N646 PolarHBondContact N-OD1 2.8Å; T642-N646 PolarHBondContact OG1-ND2 3.23Å; T642-N646 PolarHBondContact OG1-OD1 3.08Å; T642-V648 HydrophobicContact CG2-CG2 3.92Å; T642-K819 PolarHBondContact O-NZ 3.49Å |
| 643 | E | 89.2 | Confident | 92.3 | Very high | 117 Ų | 117 | 47.6 Ų | 47.6 | 55% | 0.547 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -120.3 | 156.2 | -177.7 | -56.2 | 168.2 | 132.3 | 0 | 0 | 110.1 | D645 N646 G725 | E643-D645 PolarHBondContact O-N 3.33Å; E643-N646 VanDerWaalsContact CB-ND2 3.35Å; E643-N646 WeakPolarHBondContact CB-ND2 3.25Å; E643-N646 PolarHBondContact N-ND2 2.79Å; E643-N646 PolarHBondContact N-OD1 3.13Å; E643-N646 PolarHBondContact O-N 3.41Å; E643-N646 VanDerWaalsContact O-N 3.07Å; E643-N646 PolarHBondContact OE2-ND2 3.33Å; E643-G725 VanDerWaalsContact O-CA 3.3Å; E643-G725 WeakPolarHBondContact O-CA 3.35Å |
| 644 | S | 88.6 | Confident | 92 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.6 | -169.6 | 50 | 0 | 0 | 0 | 0 | 115.8 | T697 | S644-T697 WeakPolarHBondContact O-CA 3.41Å; S644-T697 VanDerWaalsContact O-CB 3.25Å; S644-T697 WeakPolarHBondContact O-CB 3.18Å; S644-T697 WeakPolarHBondContact O-CG2 3.19Å; S644-T697 PolarHBondContact O-OG1 3.26Å |
| 645 | D | 91.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126 | 16 | -179.9 | 69.5 | -43.3 | 0 | 0 | 0 | 112.4 | E643 S693 G694 T695 | E643-D645 PolarHBondContact O-N 3.33Å; D645-S693 CarbonylContact O-C 3.56Å; D645-G694 CarbonylContact O-C 3.49Å; D645-G694 WeakPolarHBondContact O-CA 3.32Å; D645-G694 PolarHBondContact O-N 3.41Å; D645-T695 CarbonylContact C-O 3.5Å; D645-T695 VanDerWaalsContact C-OG1 3.32Å; D645-T695 VanDerWaalsContact CA-O 3.29Å; D645-T695 WeakPolarHBondContact CA-O 3.02Å; D645-T695 PolarHBondContact O-N 3.25Å; D645-T695 PolarHBondContact O-OG1 2.77Å |
| 646 | N | 94.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 154.8 | 176.9 | 86.8 | 29.9 | 0 | 0 | 0 | 113.5 | G641 T642 E643 I691 V692 T695 S724 G725 | G641-N646 WeakPolarHBondContact CA-O 3.49Å; G641-N646 VanDerWaalsContact CA-OD1 3.28Å; G641-N646 WeakPolarHBondContact CA-OD1 3.47Å; T642-N646 PolarHBondContact N-OD1 2.8Å; T642-N646 PolarHBondContact OG1-ND2 3.23Å; T642-N646 PolarHBondContact OG1-OD1 3.08Å; E643-N646 VanDerWaalsContact CB-ND2 3.35Å; E643-N646 WeakPolarHBondContact CB-ND2 3.25Å; E643-N646 PolarHBondContact N-ND2 2.79Å; E643-N646 PolarHBondContact N-OD1 3.13Å; E643-N646 PolarHBondContact O-N 3.41Å; E643-N646 VanDerWaalsContact O-N 3.07Å; E643-N646 PolarHBondContact OE2-ND2 3.33Å; N646-I691 HydrophobicContact CB-CG2 4.15Å; N646-V692 CarbonylContact C-O 3.49Å; N646-V692 VanDerWaalsContact CA-O 3.25Å; N646-V692 WeakPolarHBondContact CA-O 3.49Å; N646-T695 WeakPolarHBondContact CA-OG1 3.03Å; N646-T695 PolarHBondContact N-OG1 2.81Å; N646-T695 PolarHBondContact O-OG1 2.89Å; N646-S724 CarbonylContact O-C 3.58Å; N646-S724 VanDerWaalsContact O-CA 3.27Å; N646-S724 WeakPolarHBondContact O-CA 3.2Å; N646-S724 WeakPolarHBondContact O-CB 3.5Å; N646-G725 PolarHBondContact O-N 2.68Å |
| 647 | L | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.7 | 161.9 | 168.2 | 72.2 | 0 | 0 | 0 | 106.8 | I649 V692 T695 Y701 I703 Y723 | L647-I649 HydrophobicContact CD2-CD1 4.07Å; L647-I649 HydrophobicContact CD2-CG1 3.93Å; L647-I649 HydrophobicContact CG-CG1 3.98Å; L647-V692 HydrophobicContact CB-CB 4.32Å; L647-V692 PolarHBondContact N-O 2.69Å; L647-V692 PolarHBondContact O-N 3.36Å; L647-T695 HydrophobicContact CB-CG2 4.03Å; L647-T695 PolarHBondContact N-OG1 2.93Å; L647-Y701 HydrophobicContact CD2-CD1 4.06Å; L647-Y701 HydrophobicContact CD2-CD2 3.99Å; L647-Y701 HydrophobicContact CD2-CG 3.68Å; L647-I703 HydrophobicContact CD1-CD1 4.45Å; L647-I703 HydrophobicContact CD2-CD1 4.44Å; L647-Y723 WeakPolarHBondContact CD1-O 3.49Å |
| 648 | V | 95.6 | Very high | 88.7 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 114.6 | 170.4 | -172.3 | 0 | 0 | 0 | 0 | 107.9 | G639 A640 T642 I691 | G639-V648 CarbonylContact C-O 3.55Å; G639-V648 WeakPolarHBondContact CA-O 3.16Å; A640-V648 PolarHBondContact N-O 2.84Å; A640-V648 WeakPolarHBondContact O-CB 3.09Å; T642-V648 HydrophobicContact CG2-CG2 3.92Å; V648-I691 HydrophobicContact CG1-CG1 4.27Å; V648-I691 HydrophobicContact CG2-CG1 4.15Å; V648-I691 HydrophobicContact CG2-CG2 4.42Å |
| 649 | I | 96.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.1 | 171.4 | -54.9 | 174.3 | 0 | 0 | 0 | 106.7 | E638 L647 W651 V668 W670 Q689 L690 V692 I703 V705 | E638-I649 CarbonylContact O-C 3.39Å; E638-I649 WeakPolarHBondContact O-CA 3.16Å; L647-I649 HydrophobicContact CD2-CD1 4.07Å; L647-I649 HydrophobicContact CD2-CG1 3.93Å; L647-I649 HydrophobicContact CG-CG1 3.98Å; I649-W651 HydrophobicContact CG2-CE3 4.22Å; I649-W651 HydrophobicContact CG2-CZ3 4.24Å; I649-V668 HydrophobicContact CB-CG1 4.33Å; I649-V668 HydrophobicContact CD1-CG1 3.69Å; I649-V668 HydrophobicContact CG2-CG1 3.93Å; I649-W670 HydrophobicContact CD1-CB 3.9Å; I649-W670 HydrophobicContact CD1-CD2 4.27Å; I649-W670 HydrophobicContact CD1-CE3 4.19Å; I649-W670 HydrophobicContact CD1-CG 4.16Å; I649-Q689 CarbonylContact O-C 3.5Å; I649-Q689 WeakPolarHBondContact O-CA 3.13Å; I649-Q689 WeakPolarHBondContact O-CB 3.48Å; I649-L690 PolarHBondContact N-O 3Å; I649-L690 PolarHBondContact O-N 2.88Å; I649-V692 HydrophobicContact CD1-CG2 4.23Å; I649-I703 HydrophobicContact CD1-CD1 4.46Å; I649-I703 HydrophobicContact CD1-CG1 4.23Å; I649-I703 HydrophobicContact CD1-CG2 4.26Å; I649-I703 HydrophobicContact CG1-CD1 4.07Å; I649-I703 HydrophobicContact CG1-CG1 4.38Å; I649-I703 HydrophobicContact CG1-CG2 4.49Å; I649-I703 HydrophobicContact CG2-CG2 3.66Å; I649-V705 HydrophobicContact CG2-CG2 4.27Å |
| 650 | S | 95.1 | Very high | 88 | Confident | 39 Ų | 39 | 44.2 Ų | 44.2 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 154.3 | 178.5 | 47.2 | 0 | 0 | 0 | 0 | 111.9 | V637 E638 S688 | V637-S650 CarbonylContact C-O 3.55Å; V637-S650 WeakPolarHBondContact CA-O 3.12Å; E638-S650 PolarHBondContact N-O 3.18Å; E638-S650 PolarHBondContact O-N 2.84Å; S650-S688 WeakPolarHBondContact CA-O 3.37Å |
| 651 | W | 94.7 | Very high | 87.7 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 4% | 0.038 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.3 | 179.2 | 60.7 | 91.8 | 0 | 0 | 0 | 111.6 | P634 N636 V637 I649 P653 Y666 V668 V684 D687 S688 Q689 L690 V705 | P634-W651 HydrophobicContact CB-CB 4.12Å; P634-W651 HydrophobicContact CB-CG 4.05Å; P634-W651 HydrophobicContact CG-CB 4.41Å; P634-W651 HydrophobicContact CG-CG 4.2Å; N636-W651 WeakPolarHBondContact O-CA 3.27Å; V637-W651 HydrophobicContact CG2-CB 4.01Å; I649-W651 HydrophobicContact CG2-CE3 4.22Å; I649-W651 HydrophobicContact CG2-CZ3 4.24Å; W651-P653 WeakPolarHBondContact O-CD 3.31Å; W651-Y666 AromaticContact CE2-CD2 3.71Å; W651-Y666 AromaticContact CE2-CG 3.81Å; W651-Y666 AromaticContact CZ2-CD2 3.79Å; W651-Y666 HydrophobicContact CZ2-CD2 3.79Å; W651-Y666 AromaticContact CZ2-CG 3.98Å; W651-Y666 HydrophobicContact CZ2-CG 3.98Å; W651-Y666 AromaticContact NE1-CD1 3.85Å; W651-Y666 AromaticContact NE1-CD2 3.12Å; W651-Y666 AromaticContact NE1-CE2 3.46Å; W651-Y666 AromaticContact NE1-CG 3.35Å; W651-Y666 AromaticContact NE1-CZ 3.99Å; W651-V668 HydrophobicContact CE3-CG2 4.35Å; W651-V668 HydrophobicContact CH2-CG2 3.39Å; W651-V668 HydrophobicContact CZ2-CG2 4.14Å; W651-V668 HydrophobicContact CZ3-CG2 3.51Å; W651-V684 HydrophobicContact CH2-CB 4.14Å; W651-V684 HydrophobicContact CH2-CG1 4.01Å; W651-V684 HydrophobicContact CH2-CG2 4.11Å; W651-V684 HydrophobicContact CZ2-CB 4.18Å; W651-V684 HydrophobicContact CZ2-CG1 3.98Å; W651-D687 VanDerWaalsContact CZ2-O 3.31Å; W651-D687 WeakPolarHBondContact CZ2-O 3.26Å; W651-S688 PolarHBondContact N-O 2.97Å; W651-S688 WeakPolarHBondContact O-CB 3.45Å; W651-Q689 WeakPolarHBondContact CH2-O 3.24Å; W651-Q689 VanDerWaalsContact CZ3-C 3.43Å; W651-L690 HydrophobicContact CH2-CB 4.3Å; W651-L690 HydrophobicContact CZ3-CB 4.22Å; W651-V705 HydrophobicContact CD2-CG1 3.99Å; W651-V705 HydrophobicContact CD2-CG2 4.42Å; W651-V705 HydrophobicContact CE3-CG1 4.29Å; W651-V705 HydrophobicContact CE3-CG2 4.05Å; W651-V705 HydrophobicContact CG-CG1 4.21Å |
| 652 | K | 91.6 | Very high | 87.5 | Confident | 125 Ų | 125 | 42.2 Ų | 42.2 | 54% | 0.543 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 115.2 | 169.2 | -177.4 | -179.3 | 169.6 | -164.9 | 0 | 108.8 | P634 T635 N636 | P634-K652 WeakPolarHBondContact CB-O 3.39Å; T635-K652 WeakPolarHBondContact O-CB 3.38Å; T635-K652 PolarHBondContact O-N 3.38Å; N636-K652 HydrophobicContact CB-CB 4.36Å |
| 653 | P | 88.1 | Confident | 87.4 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 34% | 0.344 | 23% | 0.232 | S | C | . | . | trans | -68.5 | 150.9 | 179.5 | 29.5 | -34.6 | 0 | 0 | 0 | 111.2 | W651 Y666 | W651-P653 WeakPolarHBondContact O-CD 3.31Å; P653-Y666 HydrophobicContact CB-CE2 4.1Å | ||
| 654 | L | 87.4 | Confident | 87.4 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 7% | 0.073 | 21% | 0.213 | C | C | . | . | trans | -66.5 | 146.1 | 170.1 | -58.1 | -177.7 | 0 | 0 | 0 | 110.1 | P630 E632 Q658 L664 Y666 A707 | P630-L654 HydrophobicContact CB-CD1 4.32Å; E632-L654 HydrophobicContact CG-CD1 4.41Å; E632-L654 HydrophobicContact CG-CD2 3.87Å; E632-L654 WeakPolarHBondContact O-CD1 3.35Å; L654-Q658 HydrophobicContact CB-CB 3.93Å; L654-Q658 HydrophobicContact CD2-CB 4.44Å; L654-L664 HydrophobicContact CB-CD2 4.13Å; L654-L664 HydrophobicContact CD1-CD1 4.32Å; L654-Y666 WeakPolarHBondContact CB-OH 3.47Å; L654-Y666 HydrophobicContact CG-CE1 4.36Å; L654-Y666 PolarHBondContact N-OH 3.1Å; L654-A707 HydrophobicContact CD1-CB 3.61Å | ||
| 655 | T | 77 | Confident | 87.5 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | trans | -85.4 | 175.7 | 179.3 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | F657 Q658 S659 | T655-F657 VanDerWaalsContact C-N 3.34Å; T655-F657 PolarHBondContact O-N 3.22Å; T655-F657 WeakPolarHBondContact OG1-CD1 3.36Å; T655-F657 WeakPolarHBondContact OG1-CE1 3.27Å; T655-Q658 PolarHBondContact O-N 2.96Å; T655-Q658 PolarHBondContact OG1-OE1 3.38Å; T655-S659 PolarHBondContact O-N 2.85Å | ||
| 656 | G | 67.3 | Low | 87.7 | Confident | 58 Ų | 58 | 31.7 Ų | 31.7 | 60% | 0.598 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -38.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | S659 | G656-S659 WeakPolarHBondContact O-CB 3.37Å; G656-S659 PolarHBondContact O-OG 2.85Å |
| 657 | F | 73.3 | Confident | 87.7 | Confident | 90 Ų | 90 | 34.3 Ų | 34.3 | 40% | 0.395 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -43.7 | 176.5 | 66 | -89.9 | 0 | 0 | 0 | 111.9 | L572 T655 S659 N660 | L572-F657 HydrophobicContact CD1-CB 4.29Å; T655-F657 VanDerWaalsContact C-N 3.34Å; T655-F657 PolarHBondContact O-N 3.22Å; T655-F657 WeakPolarHBondContact OG1-CD1 3.36Å; T655-F657 WeakPolarHBondContact OG1-CE1 3.27Å; F657-S659 PolarHBondContact O-N 3.15Å; F657-N660 PolarHBondContact O-N 2.77Å; F657-N660 PolarHBondContact O-OD1 3.2Å |
| 658 | Q | 81.4 | Confident | 87.7 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 20% | 0.196 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -18.5 | 176.1 | -60.6 | 174.4 | -71.1 | 0 | 0 | 113.4 | E632 L654 T655 N660 | E632-Q658 VanDerWaalsContact CD-NE2 3.33Å; E632-Q658 WeakPolarHBondContact OE1-CG 3.26Å; E632-Q658 PolarHBondContact OE1-NE2 3.17Å; E632-Q658 PolarHBondContact OE2-NE2 3.25Å; L654-Q658 HydrophobicContact CB-CB 3.93Å; L654-Q658 HydrophobicContact CD2-CB 4.44Å; T655-Q658 PolarHBondContact O-N 2.96Å; T655-Q658 PolarHBondContact OG1-OE1 3.38Å; Q658-N660 PolarHBondContact O-N 2.5Å |
| 659 | S | 84.3 | Confident | 87.7 | Confident | 11 Ų | 11 | 34.6 Ų | 34.6 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.4 | 172 | 79.5 | 0 | 0 | 0 | 0 | 113.8 | T655 G656 F657 G661 N709 | T655-S659 PolarHBondContact O-N 2.85Å; G656-S659 WeakPolarHBondContact O-CB 3.37Å; G656-S659 PolarHBondContact O-OG 2.85Å; F657-S659 PolarHBondContact O-N 3.15Å; S659-G661 PolarHBondContact O-N 2.92Å; S659-G661 PolarHBondContact OG-N 3.46Å; S659-G661 PolarHBondContact OG-O 2.85Å; S659-N709 PolarHBondContact O-ND2 3.38Å |
| 660 | N | 87.6 | Confident | 87.7 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | trans | 50.2 | 2.8 | -169.5 | -72.4 | -18.6 | 0 | 0 | 0 | 116.1 | R545 P597 Y598 P627 S628 A629 D631 F657 Q658 | R545-N660 PolarHBondContact NH2-ND2 2.88Å; P597-N660 HydrophobicContact CB-CB 3.98Å; P597-N660 WeakPolarHBondContact CB-O 3.37Å; P597-N660 HydrophobicContact CG-CB 4.17Å; Y598-N660 WeakPolarHBondContact CB-O 3.49Å; P627-N660 CarbonylContact C-O 3.2Å; P627-N660 VanDerWaalsContact CA-O 3.28Å; P627-N660 WeakPolarHBondContact CA-O 3.42Å; S628-N660 PolarHBondContact N-O 3.33Å; S628-N660 CarbonylContact O-C 3.53Å; S628-N660 WeakPolarHBondContact O-CB 3.25Å; A629-N660 VanDerWaalsContact O-CB 3.26Å; A629-N660 WeakPolarHBondContact O-CB 3.3Å; A629-N660 PolarHBondContact O-ND2 3.29Å; D631-N660 PolarHBondContact N-ND2 2.81Å; D631-N660 PolarHBondContact OD2-ND2 2.79Å; F657-N660 PolarHBondContact O-N 2.77Å; F657-N660 PolarHBondContact O-OD1 3.2Å; Q658-N660 PolarHBondContact O-N 2.5Å | ||
| 661 | G | 86.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 169.6 | 164.6 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S659 | S659-G661 PolarHBondContact O-N 2.92Å; S659-G661 PolarHBondContact OG-N 3.46Å; S659-G661 PolarHBondContact OG-O 2.85Å |
| 662 | P | 84.8 | Confident | 87.6 | Confident | 35 Ų | 35 | 39.7 Ų | 39.7 | 23% | 0.227 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -71 | 155.5 | -177.1 | 29.7 | -33.7 | 0 | 0 | 0 | 112.5 | Y598 N710 Y711 | Y598-P662 HydrophobicContact CE1-CB 4.27Å; Y598-P662 HydrophobicContact CE2-CG 4.12Å; P662-N710 WeakPolarHBondContact O-CB 3.38Å; P662-N710 PolarHBondContact O-N 2.89Å; P662-N710 PolarHBondContact O-ND2 2.81Å; P662-Y711 HydrophobicContact CG-CE2 3.96Å |
| 663 | G | 86.3 | Confident | 87.5 | Confident | 31 Ų | 31 | 36.8 Ų | 36.8 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 84.6 | 20.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q665 | G663-Q665 WeakPolarHBondContact O-CG 3.43Å; G663-Q665 PolarHBondContact O-N 2.98Å; G663-Q665 PolarHBondContact O-NE2 2.85Å |
| 664 | L | 88.1 | Confident | 87.3 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 16% | 0.157 | 22% | 0.222 | C | C | . | . | trans | -47.4 | 126.5 | 175.5 | 176.6 | 62.9 | 0 | 0 | 0 | 112.5 | L654 Y666 F708 | L654-L664 HydrophobicContact CB-CD2 4.13Å; L654-L664 HydrophobicContact CD1-CD1 4.32Å; L664-Y666 HydrophobicContact CD1-CE1 4.37Å; L664-F708 CarbonylContact C-O 3.54Å; L664-F708 WeakPolarHBondContact CA-O 3.4Å | ||
| 665 | Q | 91.8 | Very high | 87.3 | Confident | 34 Ų | 34 | 43.3 Ų | 43.3 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 164.4 | -175.7 | -80.5 | 168 | 88.3 | 0 | 0 | 110.4 | G663 V684 L685 F708 | G663-Q665 WeakPolarHBondContact O-CG 3.43Å; G663-Q665 PolarHBondContact O-N 2.98Å; G663-Q665 PolarHBondContact O-NE2 2.85Å; Q665-V684 WeakPolarHBondContact CA-O 3.44Å; Q665-L685 HydrophobicContact CG-CD2 3.37Å; Q665-L685 HydrophobicContact CG-CG 3.75Å; Q665-F708 HydrophobicContact CB-CD1 3.97Å; Q665-F708 HydrophobicContact CB-CD2 4.15Å; Q665-F708 HydrophobicContact CB-CE1 3.46Å; Q665-F708 VanDerWaalsContact CB-CE1 3.46Å; Q665-F708 HydrophobicContact CB-CE2 3.66Å; Q665-F708 HydrophobicContact CB-CG 4.3Å; Q665-F708 HydrophobicContact CB-CZ 3.27Å; Q665-F708 HydrophobicContact CG-CE2 4.26Å; Q665-F708 HydrophobicContact CG-CZ 4.01Å; Q665-F708 PolarHBondContact N-O 2.87Å; Q665-F708 PolarHBondContact O-N 2.97Å |
| 666 | Y | 94.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | 176.8 | -59.7 | -67.5 | 0 | 0 | 0 | 111 | P634 W651 P653 L654 L664 V668 N683 V684 V705 Q706 A707 | P634-Y666 HydrophobicContact CB-CD1 4.37Å; P634-Y666 HydrophobicContact CB-CE1 4.02Å; P634-Y666 HydrophobicContact CG-CD1 3.76Å; P634-Y666 HydrophobicContact CG-CE1 3.85Å; W651-Y666 AromaticContact CE2-CD2 3.71Å; W651-Y666 AromaticContact CE2-CG 3.81Å; W651-Y666 AromaticContact CZ2-CD2 3.79Å; W651-Y666 HydrophobicContact CZ2-CD2 3.79Å; W651-Y666 AromaticContact CZ2-CG 3.98Å; W651-Y666 HydrophobicContact CZ2-CG 3.98Å; W651-Y666 AromaticContact NE1-CD1 3.85Å; W651-Y666 AromaticContact NE1-CD2 3.12Å; W651-Y666 AromaticContact NE1-CE2 3.46Å; W651-Y666 AromaticContact NE1-CG 3.35Å; W651-Y666 AromaticContact NE1-CZ 3.99Å; P653-Y666 HydrophobicContact CB-CE2 4.1Å; L654-Y666 WeakPolarHBondContact CB-OH 3.47Å; L654-Y666 HydrophobicContact CG-CE1 4.36Å; L654-Y666 PolarHBondContact N-OH 3.1Å; L664-Y666 HydrophobicContact CD1-CE1 4.37Å; Y666-V668 PolarHBondContact O-N 2.76Å; Y666-N683 CarbonylContact O-C 3.59Å; Y666-N683 WeakPolarHBondContact O-CA 3.45Å; Y666-V684 PolarHBondContact N-O 2.6Å; Y666-V684 PolarHBondContact O-N 2.74Å; Y666-V705 HydrophobicContact CD1-CG1 4.15Å; Y666-V705 HydrophobicContact CG-CG1 4.27Å; Y666-Q706 CarbonylContact C-O 3.57Å; Y666-Q706 WeakPolarHBondContact CA-O 3.49Å; Y666-A707 HydrophobicContact CD1-CB 4.22Å; Y666-A707 HydrophobicContact CE1-CB 3.93Å |
| 667 | K | 95 | Very high | 88.2 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 94.7 | 167.9 | 180 | -162.9 | -178.8 | -148.6 | 0 | 107.1 | Q669 Q706 F708 | K667-Q669 HydrophobicContact CG-CG 4.21Å; K667-Q706 HydrophobicContact CB-CB 4.31Å; K667-Q706 PolarHBondContact N-O 2.77Å; K667-Q706 PolarHBondContact O-N 2.68Å; K667-F708 HydrophobicContact CB-CD1 4.04Å; K667-F708 HydrophobicContact CB-CE1 3.99Å |
| 668 | V | 96.2 | Very high | 89 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 132.5 | 174 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | I649 W651 Y666 W670 S681 K682 V684 L690 V705 | I649-V668 HydrophobicContact CB-CG1 4.33Å; I649-V668 HydrophobicContact CD1-CG1 3.69Å; I649-V668 HydrophobicContact CG2-CG1 3.93Å; W651-V668 HydrophobicContact CE3-CG2 4.35Å; W651-V668 HydrophobicContact CH2-CG2 3.39Å; W651-V668 HydrophobicContact CZ2-CG2 4.14Å; W651-V668 HydrophobicContact CZ3-CG2 3.51Å; Y666-V668 PolarHBondContact O-N 2.76Å; V668-W670 HydrophobicContact CG1-CE3 4.17Å; V668-W670 HydrophobicContact CG1-CZ3 4.49Å; V668-S681 CarbonylContact O-C 3.55Å; V668-S681 VanDerWaalsContact O-CA 3.25Å; V668-S681 WeakPolarHBondContact O-CA 3.23Å; V668-K682 PolarHBondContact N-O 2.89Å; V668-K682 PolarHBondContact O-N 2.79Å; V668-V684 HydrophobicContact CG2-CG2 3.8Å; V668-L690 HydrophobicContact CB-CD2 3.85Å; V668-L690 HydrophobicContact CG1-CB 4.4Å; V668-L690 HydrophobicContact CG1-CD2 3.8Å; V668-L690 HydrophobicContact CG2-CB 4.33Å; V668-L690 HydrophobicContact CG2-CD2 4.33Å; V668-V705 HydrophobicContact CG1-CG2 4.29Å; V668-V705 HydrophobicContact CG2-CG1 4.27Å; V668-V705 HydrophobicContact CG2-CG2 4.44Å |
| 669 | Q | 94.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 10% | 0.098 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 143.4 | 174.6 | -43.5 | -166.7 | -131 | 0 | 0 | 110.4 | K667 W679 T680 I703 K704 | K667-Q669 HydrophobicContact CG-CG 4.21Å; Q669-W679 HydrophobicContact CB-CE3 3.65Å; Q669-W679 HydrophobicContact CB-CZ3 4.25Å; Q669-T680 CarbonylContact C-O 3.57Å; Q669-T680 WeakPolarHBondContact CA-O 3.23Å; Q669-I703 WeakPolarHBondContact O-CA 2.96Å; Q669-K704 HydrophobicContact CB-CB 4.23Å; Q669-K704 PolarHBondContact N-O 2.86Å; Q669-K704 PolarHBondContact O-N 2.84Å |
| 670 | W | 95.8 | Very high | 90 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 156 | 177.3 | 67 | 97 | 0 | 0 | 0 | 111.8 | I649 V668 T680 K682 L690 V692 E702 I703 | I649-W670 HydrophobicContact CD1-CB 3.9Å; I649-W670 HydrophobicContact CD1-CD2 4.27Å; I649-W670 HydrophobicContact CD1-CE3 4.19Å; I649-W670 HydrophobicContact CD1-CG 4.16Å; V668-W670 HydrophobicContact CG1-CE3 4.17Å; V668-W670 HydrophobicContact CG1-CZ3 4.49Å; W670-T680 HydrophobicContact CD2-CG2 4.36Å; W670-T680 HydrophobicContact CH2-CG2 3.75Å; W670-T680 HydrophobicContact CZ2-CG2 3.32Å; W670-T680 HydrophobicContact CZ3-CG2 4.42Å; W670-T680 PolarHBondContact N-O 2.96Å; W670-T680 WeakPolarHBondContact O-CB 3.39Å; W670-T680 PolarHBondContact O-N 2.01Å; W670-T680 VanDerWaalsContact O-N 3.09Å; W670-K682 HydrophobicContact CH2-CB 3.86Å; W670-K682 HydrophobicContact CZ3-CB 3.86Å; W670-L690 HydrophobicContact CE3-CD2 4.03Å; W670-L690 HydrophobicContact CH2-CD2 3.81Å; W670-L690 HydrophobicContact CZ3-CD2 3.39Å; W670-V692 HydrophobicContact CD2-CG2 3.93Å; W670-V692 HydrophobicContact CE3-CG2 4.37Å; W670-V692 HydrophobicContact CG-CG2 4.43Å; W670-V692 HydrophobicContact CH2-CG2 4.27Å; W670-V692 HydrophobicContact CZ2-CG1 4.02Å; W670-V692 HydrophobicContact CZ2-CG2 3.78Å; W670-E702 WeakPolarHBondContact CA-O 3.4Å; W670-I703 HydrophobicContact CB-CG1 4.47Å |
| 671 | R | 94.3 | Very high | 90.4 | Very high | 65 Ų | 65 | 60 Ų | 60 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.3 | 168 | 61 | 177.9 | -173.9 | 163.9 | 6.4 | 110.3 | K673 D677 W679 Y701 E702 | R671-K673 PolarHBondContact O-N 3.35Å; R671-D677 VanDerWaalsContact CD-O 3.26Å; R671-D677 WeakPolarHBondContact CD-O 3.49Å; R671-D677 PolarHBondContact NH1-O 2.59Å; R671-W679 HydrophobicContact CG-CD2 4.17Å; R671-W679 HydrophobicContact CG-CE3 4.26Å; R671-W679 HydrophobicContact CG-CZ2 4.47Å; R671-W679 HydrophobicContact CG-CZ3 4.47Å; R671-Y701 VanDerWaalsContact C-CD1 3.43Å; R671-Y701 CarbonylContact O-C 3.55Å; R671-Y701 VanDerWaalsContact O-CA 3.31Å; R671-Y701 WeakPolarHBondContact O-CA 3.44Å; R671-Y701 VanDerWaalsContact O-CD1 3.27Å; R671-Y701 WeakPolarHBondContact O-CD1 3.45Å; R671-E702 HydrophobicContact CG-CB 4.16Å; R671-E702 IonicContact CZ-OE2 3.59Å; R671-E702 PolarHBondContact N-O 2.83Å; R671-E702 IonicContact NE-OE2 3.73Å; R671-E702 PolarHBondContact NE-OE2 3.46Å; R671-E702 IonicContact NH2-OE2 2.78Å; R671-E702 PolarHBondContact NH2-OE2 2.96Å; R671-E702 PolarHBondContact O-N 2.87Å |
| 672 | Q | 93.2 | Very high | 90.8 | Very high | 62 Ų | 62 | 65.1 Ų | 65.1 | 29% | 0.29 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 134.6 | 177.5 | -176 | 172.5 | -33.7 | 0 | 0 | 110.1 | V675 V699 Y701 | Q672-V675 HydrophobicContact CB-CB 4.32Å; Q672-V675 HydrophobicContact CB-CG2 4.14Å; Q672-V675 HydrophobicContact CG-CB 4.47Å; Q672-V675 HydrophobicContact CG-CG2 3.79Å; Q672-V699 HydrophobicContact CG-CG1 3.62Å; Q672-Y701 HydrophobicContact CB-CD1 4.45Å; Q672-Y701 HydrophobicContact CB-CE1 4.09Å |
| 673 | K | 90.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 146.4 | 178 | -162.6 | -164 | 170.6 | -102.7 | 0 | 110.3 | R671 V675 A700 E702 I721 | R671-K673 PolarHBondContact O-N 3.35Å; K673-V675 PolarHBondContact O-N 2.85Å; K673-A700 HydrophobicContact CB-CB 3.79Å; K673-A700 WeakPolarHBondContact CB-O 3.32Å; K673-A700 HydrophobicContact CD-CB 3.97Å; K673-A700 PolarHBondContact N-O 3.04Å; K673-E702 HydrophobicContact CB-CG 4.3Å; K673-E702 HydrophobicContact CG-CG 4.07Å; K673-I721 HydrophobicContact CD-CD1 4.05Å; K673-I721 HydrophobicContact CD-CG2 4.25Å; K673-I721 HydrophobicContact CG-CD1 4.34Å |
| 674 | D | 83.4 | Confident | 91.4 | Very high | 137 Ų | 137 | 66.9 Ų | 66.9 | 73% | 0.733 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 21.7 | 177.4 | -46.5 | -50.4 | 0 | 0 | 0 | 113.6 | ||
| 675 | V | 86.8 | Confident | 91.3 | Very high | 66 Ų | 66 | 71 Ų | 71 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -120 | 134.2 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | Q672 K673 D677 | Q672-V675 HydrophobicContact CB-CB 4.32Å; Q672-V675 HydrophobicContact CB-CG2 4.14Å; Q672-V675 HydrophobicContact CG-CB 4.47Å; Q672-V675 HydrophobicContact CG-CG2 3.79Å; K673-V675 PolarHBondContact O-N 2.85Å; V675-D677 VanDerWaalsContact C-N 3.25Å; V675-D677 HydrophobicContact CG1-CB 4.17Å; V675-D677 PolarHBondContact O-N 2.86Å |
| 676 | E | 80.5 | Confident | 90.2 | Very high | 207 Ų | 207 | 76.2 Ų | 76.2 | 97% | 0.967 | 39% | 0.385 | S | S | * | . | trans | -76.6 | 78.4 | 173.2 | -66.9 | -172.9 | 158.1 | 0 | 0 | 110.1 | ||||
| 677 | D | 82.8 | Confident | 89.3 | Confident | 82 Ų | 82 | 78.4 Ų | 78.4 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | trans | -122.7 | 154.8 | 178.8 | -164.7 | 14.7 | 0 | 0 | 0 | 111.5 | R671 V675 | R671-D677 VanDerWaalsContact CD-O 3.26Å; R671-D677 WeakPolarHBondContact CD-O 3.49Å; R671-D677 PolarHBondContact NH1-O 2.59Å; V675-D677 VanDerWaalsContact C-N 3.25Å; V675-D677 HydrophobicContact CG1-CB 4.17Å; V675-D677 PolarHBondContact O-N 2.86Å | ||
| 678 | D | 90 | Very high | 88.8 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | trans | -73.5 | 152.5 | 177 | -91.2 | -38.9 | 0 | 0 | 0 | 111.3 | T680 | D678-T680 PolarHBondContact O-N 2.91Š| ||
| 679 | W | 93.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 79 Ų | 79 | 24% | 0.242 | 40% | 0.401 | C | S | . | . | trans | -71.7 | 97.7 | 177.8 | -77.3 | 89.6 | 0 | 0 | 0 | 111.3 | Q669 R671 S681 E702 K704 V719 | Q669-W679 HydrophobicContact CB-CE3 3.65Å; Q669-W679 HydrophobicContact CB-CZ3 4.25Å; R671-W679 HydrophobicContact CG-CD2 4.17Å; R671-W679 HydrophobicContact CG-CE3 4.26Å; R671-W679 HydrophobicContact CG-CZ2 4.47Å; R671-W679 HydrophobicContact CG-CZ3 4.47Å; W679-S681 PolarHBondContact O-N 2.79Å; W679-E702 HydrophobicContact CH2-CB 3.66Å; W679-E702 HydrophobicContact CZ2-CB 4.2Å; W679-E702 HydrophobicContact CZ3-CB 4.3Å; W679-K704 HydrophobicContact CH2-CD 3.97Å; W679-K704 HydrophobicContact CH2-CG 3.84Å; W679-K704 HydrophobicContact CZ2-CD 4.2Å; W679-K704 HydrophobicContact CZ3-CB 4.17Å; W679-K704 HydrophobicContact CZ3-CD 4.18Å; W679-K704 HydrophobicContact CZ3-CG 3.98Å; W679-V719 HydrophobicContact CH2-CG1 4.3Å; W679-V719 HydrophobicContact CH2-CG2 4.11Å; W679-V719 HydrophobicContact CZ2-CG2 4.2Å | ||
| 680 | T | 94.9 | Very high | 88.6 | Confident | 67 Ų | 67 | 78.4 Ų | 78.4 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 138.5 | 165.7 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | Q669 W670 D678 | Q669-T680 CarbonylContact C-O 3.57Å; Q669-T680 WeakPolarHBondContact CA-O 3.23Å; W670-T680 HydrophobicContact CD2-CG2 4.36Å; W670-T680 HydrophobicContact CH2-CG2 3.75Å; W670-T680 HydrophobicContact CZ2-CG2 3.32Å; W670-T680 HydrophobicContact CZ3-CG2 4.42Å; W670-T680 PolarHBondContact N-O 2.96Å; W670-T680 WeakPolarHBondContact O-CB 3.39Å; W670-T680 PolarHBondContact O-N 2.01Å; W670-T680 VanDerWaalsContact O-N 3.09Å; D678-T680 PolarHBondContact O-N 2.91Å |
| 681 | S | 94.4 | Very high | 88.5 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 152.4 | -178.2 | 62.3 | 0 | 0 | 0 | 0 | 113.5 | V668 W679 | V668-S681 CarbonylContact O-C 3.55Å; V668-S681 VanDerWaalsContact O-CA 3.25Å; V668-S681 WeakPolarHBondContact O-CA 3.23Å; W679-S681 PolarHBondContact O-N 2.79Å |
| 682 | K | 94.9 | Very high | 88.6 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 48% | 0.478 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 133.1 | 179.3 | -178 | 174.8 | 171.3 | -171.1 | 0 | 110.6 | V668 W670 L690 | V668-K682 PolarHBondContact N-O 2.89Å; V668-K682 PolarHBondContact O-N 2.79Å; W670-K682 HydrophobicContact CH2-CB 3.86Å; W670-K682 HydrophobicContact CZ3-CB 3.86Å; K682-L690 HydrophobicContact CB-CD2 4.14Å; K682-L690 HydrophobicContact CD-CD1 3.75Å; K682-L690 HydrophobicContact CD-CD2 4.17Å |
| 683 | N | 93.1 | Very high | 88.5 | Confident | 88 Ų | 88 | 80 Ų | 80 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 138.9 | 174.3 | -65.4 | -5.1 | 0 | 0 | 0 | 110.4 | Y666 F708 | Y666-N683 CarbonylContact O-C 3.59Å; Y666-N683 WeakPolarHBondContact O-CA 3.45Å; N683-F708 HydrophobicContact CB-CE1 4.19Å; N683-F708 HydrophobicContact CB-CZ 4.02Å; N683-F708 VanDerWaalsContact ND2-CZ 3.34Å; N683-F708 WeakPolarHBondContact ND2-CZ 3.29Å |
| 684 | V | 91.6 | Very high | 88.5 | Confident | 15 Ų | 15 | 80 Ų | 80 | 9% | 0.091 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.6 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | W651 Q665 Y666 V668 D687 L690 | W651-V684 HydrophobicContact CH2-CB 4.14Å; W651-V684 HydrophobicContact CH2-CG1 4.01Å; W651-V684 HydrophobicContact CH2-CG2 4.11Å; W651-V684 HydrophobicContact CZ2-CB 4.18Å; W651-V684 HydrophobicContact CZ2-CG1 3.98Å; Q665-V684 WeakPolarHBondContact CA-O 3.44Å; Y666-V684 PolarHBondContact N-O 2.6Å; Y666-V684 PolarHBondContact O-N 2.74Å; V668-V684 HydrophobicContact CG2-CG2 3.8Å; V684-D687 HydrophobicContact CG1-CB 3.97Å; V684-L690 HydrophobicContact CG2-CB 4.3Å |
| 685 | L | 86 | Confident | 88.9 | Confident | 115 Ų | 115 | 74 Ų | 74 | 60% | 0.602 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 123.9 | -179.5 | -81.2 | 152 | 0 | 0 | 0 | 109.6 | Q665 D687 | Q665-L685 HydrophobicContact CG-CD2 3.37Å; Q665-L685 HydrophobicContact CG-CG 3.75Å; L685-D687 PolarHBondContact O-N 2.93Å |
| 686 | N | 67.9 | Low | 89.1 | Confident | 144 Ų | 144 | 74 Ų | 74 | 77% | 0.77 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 54.4 | 16 | 169.6 | -59.6 | -15.9 | 0 | 0 | 0 | 117.5 | ||
| 687 | D | 75.1 | Confident | 89.5 | Confident | 50 Ų | 50 | 65.7 Ų | 65.7 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | trans | -114.1 | 159.1 | 170.8 | -157.1 | -10 | 0 | 0 | 0 | 110.8 | W651 V684 L685 Q689 K1080 | W651-D687 VanDerWaalsContact CZ2-O 3.31Å; W651-D687 WeakPolarHBondContact CZ2-O 3.26Å; V684-D687 HydrophobicContact CG1-CB 3.97Å; L685-D687 PolarHBondContact O-N 2.93Å; D687-Q689 WeakPolarHBondContact OD2-CG 3.28Å; D687-Q689 PolarHBondContact OD2-NE2 3.13Å; D687-K1080 IonicContact OD1-NZ 3.3Å; D687-K1080 PolarHBondContact OD1-NZ 2.82Å; D687-K1080 VanDerWaalsContact OD1-NZ 3.16Å | ||
| 688 | S | 86.5 | Confident | 90 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 8% | 0.077 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -101.8 | 13.3 | 178.8 | 44 | 0 | 0 | 0 | 0 | 112.3 | S650 W651 K1080 Y1081 | S650-S688 WeakPolarHBondContact CA-O 3.37Å; W651-S688 PolarHBondContact N-O 2.97Å; W651-S688 WeakPolarHBondContact O-CB 3.45Å; S688-K1080 PolarHBondContact OG-NZ 3.06Å; S688-Y1081 PolarHBondContact OG-OH 3.32Å |
| 689 | Q | 92.3 | Very high | 90 | Very high | 57 Ų | 57 | 60.4 Ų | 60.4 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 161.3 | -177.8 | 76.9 | -160.9 | -5.5 | 0 | 0 | 113.1 | I649 W651 D687 | I649-Q689 CarbonylContact O-C 3.5Å; I649-Q689 WeakPolarHBondContact O-CA 3.13Å; I649-Q689 WeakPolarHBondContact O-CB 3.48Å; W651-Q689 WeakPolarHBondContact CH2-O 3.24Å; W651-Q689 VanDerWaalsContact CZ3-C 3.43Å; D687-Q689 WeakPolarHBondContact OD2-CG 3.28Å; D687-Q689 PolarHBondContact OD2-NE2 3.13Å |
| 690 | L | 94.4 | Very high | 90 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 125.5 | 162.2 | 172.9 | 59.7 | 0 | 0 | 0 | 109 | I649 W651 V668 W670 K682 V684 V692 | I649-L690 PolarHBondContact N-O 3Å; I649-L690 PolarHBondContact O-N 2.88Å; W651-L690 HydrophobicContact CH2-CB 4.3Å; W651-L690 HydrophobicContact CZ3-CB 4.22Å; V668-L690 HydrophobicContact CB-CD2 3.85Å; V668-L690 HydrophobicContact CG1-CB 4.4Å; V668-L690 HydrophobicContact CG1-CD2 3.8Å; V668-L690 HydrophobicContact CG2-CB 4.33Å; V668-L690 HydrophobicContact CG2-CD2 4.33Å; W670-L690 HydrophobicContact CE3-CD2 4.03Å; W670-L690 HydrophobicContact CH2-CD2 3.81Å; W670-L690 HydrophobicContact CZ3-CD2 3.39Å; K682-L690 HydrophobicContact CB-CD2 4.14Å; K682-L690 HydrophobicContact CD-CD1 3.75Å; K682-L690 HydrophobicContact CD-CD2 4.17Å; V684-L690 HydrophobicContact CG2-CB 4.3Å; L690-V692 HydrophobicContact CD2-CG2 4.26Å; L690-V692 HydrophobicContact CG-CG2 4.18Å |
| 691 | I | 93.8 | Very high | 90 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 41% | 0.41 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 124.1 | 168.3 | -52.8 | -180 | 0 | 0 | 0 | 108.3 | N646 V648 | N646-I691 HydrophobicContact CB-CG2 4.15Å; V648-I691 HydrophobicContact CG1-CG1 4.27Å; V648-I691 HydrophobicContact CG2-CG1 4.15Å; V648-I691 HydrophobicContact CG2-CG2 4.42Å |
| 692 | V | 94.4 | Very high | 90 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 108.8 | 171.3 | -176.6 | 0 | 0 | 0 | 0 | 107.3 | N646 L647 I649 W670 L690 T695 | N646-V692 CarbonylContact C-O 3.49Å; N646-V692 VanDerWaalsContact CA-O 3.25Å; N646-V692 WeakPolarHBondContact CA-O 3.49Å; L647-V692 HydrophobicContact CB-CB 4.32Å; L647-V692 PolarHBondContact N-O 2.69Å; L647-V692 PolarHBondContact O-N 3.36Å; I649-V692 HydrophobicContact CD1-CG2 4.23Å; W670-V692 HydrophobicContact CD2-CG2 3.93Å; W670-V692 HydrophobicContact CE3-CG2 4.37Å; W670-V692 HydrophobicContact CG-CG2 4.43Å; W670-V692 HydrophobicContact CH2-CG2 4.27Å; W670-V692 HydrophobicContact CZ2-CG1 4.02Å; W670-V692 HydrophobicContact CZ2-CG2 3.78Å; L690-V692 HydrophobicContact CD2-CG2 4.26Å; L690-V692 HydrophobicContact CG-CG2 4.18Å; V692-T695 HydrophobicContact CB-CG2 4.41Å; V692-T695 HydrophobicContact CG1-CG2 3.86Å |
| 693 | S | 92.3 | Very high | 90.1 | Very high | 91 Ų | 91 | 49.4 Ų | 49.4 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 155.6 | 179.8 | -53.7 | 0 | 0 | 0 | 0 | 112 | D645 | D645-S693 CarbonylContact O-C 3.56Å |
| 694 | G | 89.6 | Confident | 90.2 | Very high | 66 Ų | 66 | 46.8 Ų | 46.8 | 68% | 0.68 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 82 | 17.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | D645 | D645-G694 CarbonylContact O-C 3.49Å; D645-G694 WeakPolarHBondContact O-CA 3.32Å; D645-G694 PolarHBondContact O-N 3.41Å |
| 695 | T | 91.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 149.5 | 174.6 | 57.4 | 0 | 0 | 0 | 0 | 111 | D645 N646 L647 V692 Y701 S724 | D645-T695 CarbonylContact C-O 3.5Å; D645-T695 VanDerWaalsContact C-OG1 3.32Å; D645-T695 VanDerWaalsContact CA-O 3.29Å; D645-T695 WeakPolarHBondContact CA-O 3.02Å; D645-T695 PolarHBondContact O-N 3.25Å; D645-T695 PolarHBondContact O-OG1 2.77Å; N646-T695 WeakPolarHBondContact CA-OG1 3.03Å; N646-T695 PolarHBondContact N-OG1 2.81Å; N646-T695 PolarHBondContact O-OG1 2.89Å; L647-T695 HydrophobicContact CB-CG2 4.03Å; L647-T695 PolarHBondContact N-OG1 2.93Å; V692-T695 HydrophobicContact CB-CG2 4.41Å; V692-T695 HydrophobicContact CG1-CG2 3.86Å; T695-Y701 WeakPolarHBondContact CB-OH 3.43Å; T695-Y701 HydrophobicContact CG2-CE1 4.48Å; T695-Y701 HydrophobicContact CG2-CE2 4.17Å; T695-Y701 WeakPolarHBondContact CG2-OH 3.42Å; T695-S724 WeakPolarHBondContact OG1-CB 3.44Å |
| 696 | P | 90.6 | Very high | 90.9 | Very high | 66 Ų | 66 | 41.4 Ų | 41.4 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -65.1 | 148.4 | 172 | -15.2 | 30.1 | 0 | 0 | 0 | 111.2 | V699 Y701 S724 | P696-V699 HydrophobicContact CB-CG2 3.9Å; P696-Y701 VanDerWaalsContact CD-OH 3.25Å; P696-Y701 WeakPolarHBondContact CD-OH 3.42Å; P696-S724 WeakPolarHBondContact O-CB 3.18Å; P696-S724 PolarHBondContact O-OG 2.79Å |
| 697 | T | 90.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 130.9 | -176.9 | -47.3 | 0 | 0 | 0 | 0 | 113 | S644 V699 G725 D727 R759 | S644-T697 WeakPolarHBondContact O-CA 3.41Å; S644-T697 VanDerWaalsContact O-CB 3.25Å; S644-T697 WeakPolarHBondContact O-CB 3.18Å; S644-T697 WeakPolarHBondContact O-CG2 3.19Å; S644-T697 PolarHBondContact O-OG1 3.26Å; T697-V699 PolarHBondContact O-N 3.38Å; T697-G725 WeakPolarHBondContact CG2-O 3.34Å; T697-D727 HydrophobicContact CG2-CB 3.68Å; T697-R759 HydrophobicContact CG2-CB 3.98Å; T697-R759 WeakPolarHBondContact CG2-O 3.5Å; T697-R759 PolarHBondContact OG1-NH2 3.07Å |
| 698 | Y | 91.9 | Very high | 93 | Very high | 76 Ų | 76 | 33.3 Ų | 33.3 | 30% | 0.298 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 57.7 | 177.9 | -162.1 | -113.4 | 0 | 0 | 0 | 114.8 | Y723 S724 G725 E726 G760 | Y698-Y723 HydrophobicContact CD2-CD1 4.34Å; Y698-Y723 HydrophobicContact CE2-CD1 4.13Å; Y698-Y723 HydrophobicContact CE2-CG 4.25Å; Y698-S724 WeakPolarHBondContact CA-O 3.33Å; Y698-S724 PolarHBondContact N-OG 2.96Å; Y698-G725 PolarHBondContact N-O 2.88Å; Y698-E726 HydrophobicContact CD2-CG 3.5Å; Y698-E726 VanDerWaalsContact CD2-CG 3.5Å; Y698-E726 HydrophobicContact CE2-CG 3.89Å; Y698-E726 HydrophobicContact CG-CG 4.15Å; Y698-G760 VanDerWaalsContact CE1-C 3.46Å; Y698-G760 WeakPolarHBondContact CE1-O 3.34Å |
| 699 | V | 90.8 | Very high | 93.2 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 20% | 0.2 | 20% | 0.196 | C | C | . | . | trans | -114.7 | 141.4 | 175.4 | 164.1 | 0 | 0 | 0 | 0 | 109.3 | Q672 P696 T697 Y701 Y723 S724 | Q672-V699 HydrophobicContact CG-CG1 3.62Å; P696-V699 HydrophobicContact CB-CG2 3.9Å; T697-V699 PolarHBondContact O-N 3.38Å; V699-Y701 HydrophobicContact CB-CE2 4.28Å; V699-Y701 HydrophobicContact CG1-CD2 4.46Å; V699-Y701 HydrophobicContact CG1-CE2 3.98Å; V699-Y701 WeakPolarHBondContact O-CD2 3.46Å; V699-Y723 WeakPolarHBondContact O-CA 3.14Å; V699-S724 PolarHBondContact N-OG 2.83Å; V699-S724 PolarHBondContact O-N 2.82Å; V699-S724 PolarHBondContact O-OG 3.4Å | ||
| 700 | A | 93 | Very high | 93.2 | Very high | 18 Ų | 18 | 35.5 Ų | 35.5 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K673 I721 G722 Y723 | K673-A700 HydrophobicContact CB-CB 3.79Å; K673-A700 WeakPolarHBondContact CB-O 3.32Å; K673-A700 HydrophobicContact CD-CB 3.97Å; K673-A700 PolarHBondContact N-O 3.04Å; A700-I721 HydrophobicContact CB-CG2 4.36Å; A700-G722 CarbonylContact C-O 3.59Å; A700-G722 WeakPolarHBondContact CA-O 3.49Å; A700-Y723 HydrophobicContact CB-CD1 4.1Å; A700-Y723 HydrophobicContact CB-CE1 3.73Å |
| 701 | Y | 94.6 | Very high | 93 | Very high | 17 Ų | 17 | 41.6 Ų | 41.6 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.5 | 177.3 | -78.5 | -96.1 | 0 | 0 | 0 | 110.6 | L647 R671 Q672 T695 P696 V699 I721 G722 | L647-Y701 HydrophobicContact CD2-CD1 4.06Å; L647-Y701 HydrophobicContact CD2-CD2 3.99Å; L647-Y701 HydrophobicContact CD2-CG 3.68Å; R671-Y701 VanDerWaalsContact C-CD1 3.43Å; R671-Y701 CarbonylContact O-C 3.55Å; R671-Y701 VanDerWaalsContact O-CA 3.31Å; R671-Y701 WeakPolarHBondContact O-CA 3.44Å; R671-Y701 VanDerWaalsContact O-CD1 3.27Å; R671-Y701 WeakPolarHBondContact O-CD1 3.45Å; Q672-Y701 HydrophobicContact CB-CD1 4.45Å; Q672-Y701 HydrophobicContact CB-CE1 4.09Å; T695-Y701 WeakPolarHBondContact CB-OH 3.43Å; T695-Y701 HydrophobicContact CG2-CE1 4.48Å; T695-Y701 HydrophobicContact CG2-CE2 4.17Å; T695-Y701 WeakPolarHBondContact CG2-OH 3.42Å; P696-Y701 VanDerWaalsContact CD-OH 3.25Å; P696-Y701 WeakPolarHBondContact CD-OH 3.42Å; V699-Y701 HydrophobicContact CB-CE2 4.28Å; V699-Y701 HydrophobicContact CG1-CD2 4.46Å; V699-Y701 HydrophobicContact CG1-CE2 3.98Å; V699-Y701 WeakPolarHBondContact O-CD2 3.46Å; Y701-I721 WeakPolarHBondContact O-CA 3.41Å; Y701-G722 PolarHBondContact N-O 3.35Å; Y701-G722 PolarHBondContact O-N 3.3Å |
| 702 | E | 95.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 19% | 0.187 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136 | 163.6 | -60.7 | -168.8 | 147.9 | 0 | 0 | 109.1 | W670 R671 K673 W679 V719 I721 | W670-E702 WeakPolarHBondContact CA-O 3.4Å; R671-E702 HydrophobicContact CG-CB 4.16Å; R671-E702 IonicContact CZ-OE2 3.59Å; R671-E702 PolarHBondContact N-O 2.83Å; R671-E702 IonicContact NE-OE2 3.73Å; R671-E702 PolarHBondContact NE-OE2 3.46Å; R671-E702 IonicContact NH2-OE2 2.78Å; R671-E702 PolarHBondContact NH2-OE2 2.96Å; R671-E702 PolarHBondContact O-N 2.87Å; K673-E702 HydrophobicContact CB-CG 4.3Å; K673-E702 HydrophobicContact CG-CG 4.07Å; W679-E702 HydrophobicContact CH2-CB 3.66Å; W679-E702 HydrophobicContact CZ2-CB 4.2Å; W679-E702 HydrophobicContact CZ3-CB 4.3Å; E702-V719 HydrophobicContact CB-CG1 3.91Å; E702-V719 HydrophobicContact CG-CG1 4.26Å; E702-I721 HydrophobicContact CG-CD1 3.91Å |
| 703 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 140.5 | -172.4 | -63.4 | 165.7 | 0 | 0 | 0 | 109.9 | V637 L647 I649 Q669 W670 V705 V719 V720 | V637-I703 HydrophobicContact CG1-CG2 3.79Å; L647-I703 HydrophobicContact CD1-CD1 4.45Å; L647-I703 HydrophobicContact CD2-CD1 4.44Å; I649-I703 HydrophobicContact CD1-CD1 4.46Å; I649-I703 HydrophobicContact CD1-CG1 4.23Å; I649-I703 HydrophobicContact CD1-CG2 4.26Å; I649-I703 HydrophobicContact CG1-CD1 4.07Å; I649-I703 HydrophobicContact CG1-CG1 4.38Å; I649-I703 HydrophobicContact CG1-CG2 4.49Å; I649-I703 HydrophobicContact CG2-CG2 3.66Å; Q669-I703 WeakPolarHBondContact O-CA 2.96Å; W670-I703 HydrophobicContact CB-CG1 4.47Å; I703-V705 HydrophobicContact CG2-CG2 4.47Å; I703-V719 WeakPolarHBondContact O-CA 2.94Å; I703-V720 PolarHBondContact N-O 2.76Å; I703-V720 PolarHBondContact O-N 3.09Å |
| 704 | K | 95.4 | Very high | 92.8 | Very high | 32 Ų | 32 | 38.6 Ų | 38.6 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.4 | 168.2 | -78.5 | 177.7 | 168.3 | -171.5 | 0 | 109.6 | Q669 W679 E716 P717 V719 | Q669-K704 HydrophobicContact CB-CB 4.23Å; Q669-K704 PolarHBondContact N-O 2.86Å; Q669-K704 PolarHBondContact O-N 2.84Å; W679-K704 HydrophobicContact CH2-CD 3.97Å; W679-K704 HydrophobicContact CH2-CG 3.84Å; W679-K704 HydrophobicContact CZ2-CD 4.2Å; W679-K704 HydrophobicContact CZ3-CB 4.17Å; W679-K704 HydrophobicContact CZ3-CD 4.18Å; W679-K704 HydrophobicContact CZ3-CG 3.98Å; K704-E716 IonicContact NZ-OE1 3.48Å; K704-E716 PolarHBondContact NZ-OE1 2.94Å; K704-P717 HydrophobicContact CB-CB 4.5Å; K704-P717 HydrophobicContact CB-CG 3.85Å; K704-P717 HydrophobicContact CD-CG 4.11Å; K704-P717 HydrophobicContact CG-CG 4.06Å; K704-V719 HydrophobicContact CD-CG2 4.32Å; K704-V719 VanDerWaalsContact CE-CG2 3.45Å; K704-V719 HydrophobicContact CG-CG2 4.05Å |
| 705 | V | 95.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 112.1 | 169.6 | -172 | 0 | 0 | 0 | 0 | 109.3 | P634 V637 I649 W651 Y666 V668 I703 P717 | P634-V705 HydrophobicContact CG-CB 4Å; P634-V705 HydrophobicContact CG-CG1 3.53Å; V637-V705 HydrophobicContact CG1-CG2 3.76Å; V637-V705 HydrophobicContact CG2-CB 3.94Å; V637-V705 HydrophobicContact CG2-CG2 3.9Å; I649-V705 HydrophobicContact CG2-CG2 4.27Å; W651-V705 HydrophobicContact CD2-CG1 3.99Å; W651-V705 HydrophobicContact CD2-CG2 4.42Å; W651-V705 HydrophobicContact CE3-CG1 4.29Å; W651-V705 HydrophobicContact CE3-CG2 4.05Å; W651-V705 HydrophobicContact CG-CG1 4.21Å; Y666-V705 HydrophobicContact CD1-CG1 4.15Å; Y666-V705 HydrophobicContact CG-CG1 4.27Å; V668-V705 HydrophobicContact CG1-CG2 4.29Å; V668-V705 HydrophobicContact CG2-CG1 4.27Å; V668-V705 HydrophobicContact CG2-CG2 4.44Å; I703-V705 HydrophobicContact CG2-CG2 4.47Å; V705-P717 WeakPolarHBondContact O-CB 3.25Å |
| 706 | Q | 95.6 | Very high | 92.9 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130 | 178.1 | -167 | 169.8 | 28 | 0 | 0 | 110.3 | N633 Y666 K667 N713 A714 P715 P717 | N633-Q706 VanDerWaalsContact OD1-CA 3.29Å; N633-Q706 WeakPolarHBondContact OD1-CA 3.36Å; Y666-Q706 CarbonylContact C-O 3.57Å; Y666-Q706 WeakPolarHBondContact CA-O 3.49Å; K667-Q706 HydrophobicContact CB-CB 4.31Å; K667-Q706 PolarHBondContact N-O 2.77Å; K667-Q706 PolarHBondContact O-N 2.68Å; Q706-N713 HydrophobicContact CG-CB 4.46Å; Q706-A714 PolarHBondContact NE2-O 2.77Å; Q706-P715 PolarHBondContact NE2-O 3.28Å; Q706-P717 HydrophobicContact CB-CG 3.97Å |
| 707 | A | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 144.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P630 N633 L654 Y666 A714 | P630-A707 HydrophobicContact CB-CB 4.38Å; P630-A707 HydrophobicContact CG-CB 4.49Å; N633-A707 PolarHBondContact OD1-N 2.9Å; L654-A707 HydrophobicContact CD1-CB 3.61Å; Y666-A707 HydrophobicContact CD1-CB 4.22Å; Y666-A707 HydrophobicContact CE1-CB 3.93Å; A707-A714 HydrophobicContact CB-CB 3.93Å; A707-A714 WeakPolarHBondContact O-CB 3.46Å; A707-A714 PolarHBondContact O-N 3.09Å |
| 708 | F | 93.6 | Very high | 93 | Very high | 25 Ų | 25 | 45.9 Ų | 45.9 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 160.7 | 166.6 | 72.4 | -87 | 0 | 0 | 0 | 110.7 | L664 Q665 K667 N683 G712 N713 | L664-F708 CarbonylContact C-O 3.54Å; L664-F708 WeakPolarHBondContact CA-O 3.4Å; Q665-F708 HydrophobicContact CB-CD1 3.97Å; Q665-F708 HydrophobicContact CB-CD2 4.15Å; Q665-F708 HydrophobicContact CB-CE1 3.46Å; Q665-F708 VanDerWaalsContact CB-CE1 3.46Å; Q665-F708 HydrophobicContact CB-CE2 3.66Å; Q665-F708 HydrophobicContact CB-CG 4.3Å; Q665-F708 HydrophobicContact CB-CZ 3.27Å; Q665-F708 HydrophobicContact CG-CE2 4.26Å; Q665-F708 HydrophobicContact CG-CZ 4.01Å; Q665-F708 PolarHBondContact N-O 2.87Å; Q665-F708 PolarHBondContact O-N 2.97Å; K667-F708 HydrophobicContact CB-CD1 4.04Å; K667-F708 HydrophobicContact CB-CE1 3.99Å; N683-F708 HydrophobicContact CB-CE1 4.19Å; N683-F708 HydrophobicContact CB-CZ 4.02Å; N683-F708 VanDerWaalsContact ND2-CZ 3.34Å; N683-F708 WeakPolarHBondContact ND2-CZ 3.29Å; F708-G712 CarbonylContact C-O 3.48Å; F708-G712 VanDerWaalsContact CA-O 3.27Å; F708-G712 WeakPolarHBondContact CA-O 3.44Å; F708-G712 WeakPolarHBondContact CB-O 3.37Å; F708-N713 HydrophobicContact CB-CB 4.25Å; F708-N713 VanDerWaalsContact CB-OD1 3.31Å; F708-N713 WeakPolarHBondContact CB-OD1 3.48Å |
| 709 | N | 91.6 | Very high | 93.1 | Very high | 8 Ų | 8 | 45.6 Ų | 45.6 | 4% | 0.043 | 25% | 0.247 | C | C | . | . | trans | -136.3 | -167 | 173.4 | 73.4 | 9.1 | 0 | 0 | 0 | 110 | S628 P630 S659 Y711 G712 | S628-N709 PolarHBondContact O-ND2 2.89Å; P630-N709 HydrophobicContact CG-CB 4.15Å; S659-N709 PolarHBondContact O-ND2 3.38Å; N709-Y711 PolarHBondContact O-N 2.86Å; N709-Y711 VanDerWaalsContact O-N 3.08Å; N709-Y711 WeakPolarHBondContact OD1-CA 3.2Å; N709-Y711 WeakPolarHBondContact OD1-CB 3.44Å; N709-Y711 PolarHBondContact OD1-N 2.87Å; N709-G712 PolarHBondContact N-O 3.47Å; N709-G712 PolarHBondContact OD1-N 3.31Å; N709-G712 VanDerWaalsContact OD1-N 3.17Å | ||
| 710 | N | 90.8 | Very high | 93.2 | Very high | 106 Ų | 106 | 45.9 Ų | 45.9 | 57% | 0.567 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -65 | -8.3 | 179.7 | -70.6 | -6.1 | 0 | 0 | 0 | 115.2 | P662 | P662-N710 WeakPolarHBondContact O-CB 3.38Å; P662-N710 PolarHBondContact O-N 2.89Å; P662-N710 PolarHBondContact O-ND2 2.81Å |
| 711 | Y | 90.3 | Very high | 93.4 | Very high | 136 Ų | 136 | 48.5 Ų | 48.5 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -118.2 | -18.2 | -171.4 | -65.9 | -90.9 | 0 | 0 | 0 | 113.6 | P627 P662 N709 | P627-Y711 HydrophobicContact CB-CD2 3.89Å; P627-Y711 HydrophobicContact CB-CE2 3.73Å; P627-Y711 HydrophobicContact CB-CG 4.41Å; P627-Y711 HydrophobicContact CG-CD1 4.32Å; P627-Y711 HydrophobicContact CG-CD2 4.03Å; P627-Y711 HydrophobicContact CG-CE1 3.76Å; P627-Y711 HydrophobicContact CG-CE2 3.44Å; P627-Y711 VanDerWaalsContact CG-CE2 3.44Å; P627-Y711 HydrophobicContact CG-CG 4.45Å; P627-Y711 WeakPolarHBondContact CG-OH 3.43Å; P662-Y711 HydrophobicContact CG-CE2 3.96Å; N709-Y711 PolarHBondContact O-N 2.86Å; N709-Y711 VanDerWaalsContact O-N 3.08Å; N709-Y711 WeakPolarHBondContact OD1-CA 3.2Å; N709-Y711 WeakPolarHBondContact OD1-CB 3.44Å; N709-Y711 PolarHBondContact OD1-N 2.87Å |
| 712 | G | 89.9 | Confident | 93.2 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 25% | 0.247 | 26% | 0.257 | C | S | . | . | trans | 170.6 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | F708 N709 | F708-G712 CarbonylContact C-O 3.48Å; F708-G712 VanDerWaalsContact CA-O 3.27Å; F708-G712 WeakPolarHBondContact CA-O 3.44Å; F708-G712 WeakPolarHBondContact CB-O 3.37Å; N709-G712 PolarHBondContact N-O 3.47Å; N709-G712 PolarHBondContact OD1-N 3.31Å; N709-G712 VanDerWaalsContact OD1-N 3.17Å | ||
| 713 | N | 93 | Very high | 93.2 | Very high | 97 Ų | 97 | 50.9 Ų | 50.9 | 52% | 0.519 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -90.7 | 150.2 | 169.3 | -48.8 | -68.5 | 0 | 0 | 0 | 109.9 | Q706 F708 | Q706-N713 HydrophobicContact CG-CB 4.46Å; F708-N713 HydrophobicContact CB-CB 4.25Å; F708-N713 VanDerWaalsContact CB-OD1 3.31Å; F708-N713 WeakPolarHBondContact CB-OD1 3.48Å |
| 714 | A | 93 | Very high | 93.1 | Very high | 5 Ų | 5 | 51 Ų | 51 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 170.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P630 E632 N633 Q706 A707 | P630-A714 HydrophobicContact CB-CB 4.35Å; P630-A714 VanDerWaalsContact O-CA 3.29Å; P630-A714 WeakPolarHBondContact O-CA 3.47Å; P630-A714 WeakPolarHBondContact O-CB 3.21Å; E632-A714 VanDerWaalsContact O-CB 3.26Å; E632-A714 WeakPolarHBondContact O-CB 3.5Å; N633-A714 WeakPolarHBondContact OD1-CB 3.3Å; Q706-A714 PolarHBondContact NE2-O 2.77Å; A707-A714 HydrophobicContact CB-CB 3.93Å; A707-A714 WeakPolarHBondContact O-CB 3.46Å; A707-A714 PolarHBondContact O-N 3.09Å |
| 715 | P | 93.3 | Very high | 92.9 | Very high | 78 Ų | 78 | 49.5 Ų | 49.5 | 51% | 0.506 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -52.6 | 168.4 | 175.8 | -28.7 | 37.2 | 0 | 0 | 0 | 114.3 | D631 N633 Q706 | D631-P715 WeakPolarHBondContact O-CD 3.42Å; N633-P715 PolarHBondContact ND2-O 2.93Å; Q706-P715 PolarHBondContact NE2-O 3.28Å |
| 716 | E | 92.1 | Very high | 92.7 | Very high | 123 Ų | 123 | 50.7 Ų | 50.7 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 125.7 | 179.7 | -176.1 | 62.1 | -163.8 | 0 | 0 | 111.1 | K704 | K704-E716 IonicContact NZ-OE1 3.48Å; K704-E716 PolarHBondContact NZ-OE1 2.94Å |
| 717 | P | 92.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 151.3 | -176.8 | 32.5 | -38.7 | 0 | 0 | 0 | 113.1 | K704 V705 Q706 | K704-P717 HydrophobicContact CB-CB 4.5Å; K704-P717 HydrophobicContact CB-CG 3.85Å; K704-P717 HydrophobicContact CD-CG 4.11Å; K704-P717 HydrophobicContact CG-CG 4.06Å; V705-P717 WeakPolarHBondContact O-CB 3.25Å; Q706-P717 HydrophobicContact CB-CG 3.97Å |
| 718 | T | 89.6 | Confident | 92.5 | Very high | 119 Ų | 119 | 57.8 Ų | 57.8 | 73% | 0.73 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 154.7 | 170.6 | 46.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 719 | V | 93.3 | Very high | 92.6 | Very high | 69 Ų | 69 | 56.8 Ų | 56.8 | 42% | 0.418 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -89.1 | 130.6 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | W679 E702 I703 K704 I721 | W679-V719 HydrophobicContact CH2-CG1 4.3Å; W679-V719 HydrophobicContact CH2-CG2 4.11Å; W679-V719 HydrophobicContact CZ2-CG2 4.2Å; E702-V719 HydrophobicContact CB-CG1 3.91Å; E702-V719 HydrophobicContact CG-CG1 4.26Å; I703-V719 WeakPolarHBondContact O-CA 2.94Å; K704-V719 HydrophobicContact CD-CG2 4.32Å; K704-V719 VanDerWaalsContact CE-CG2 3.45Å; K704-V719 HydrophobicContact CG-CG2 4.05Å; V719-I721 HydrophobicContact CG1-CD1 4.49Å |
| 720 | V | 94.7 | Very high | 92.6 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.5 | 170.2 | 178.6 | 0 | 0 | 0 | 0 | 109.4 | V637 I703 | V637-V720 HydrophobicContact CB-CG2 4.06Å; V637-V720 HydrophobicContact CG1-CB 4.23Å; V637-V720 HydrophobicContact CG1-CG2 3.98Å; I703-V720 PolarHBondContact N-O 2.76Å; I703-V720 PolarHBondContact O-N 3.09Å |
| 721 | I | 95.4 | Very high | 92.7 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 124.2 | 170.2 | -53.9 | -55.3 | 0 | 0 | 0 | 109.3 | K673 A700 Y701 E702 V719 Y723 | K673-I721 HydrophobicContact CD-CD1 4.05Å; K673-I721 HydrophobicContact CD-CG2 4.25Å; K673-I721 HydrophobicContact CG-CD1 4.34Å; A700-I721 HydrophobicContact CB-CG2 4.36Å; Y701-I721 WeakPolarHBondContact O-CA 3.41Å; E702-I721 HydrophobicContact CG-CD1 3.91Å; V719-I721 HydrophobicContact CG1-CD1 4.49Å; I721-Y723 HydrophobicContact CG2-CE2 4.47Å |
| 722 | G | 92.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 174.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G639 A700 Y701 | G639-G722 CarbonylContact O-C 3.49Å; G639-G722 WeakPolarHBondContact O-CA 3.26Å; A700-G722 CarbonylContact C-O 3.59Å; A700-G722 WeakPolarHBondContact CA-O 3.49Å; Y701-G722 PolarHBondContact N-O 3.35Å; Y701-G722 PolarHBondContact O-N 3.3Å |
| 723 | Y | 94.3 | Very high | 92.9 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 41% | 0.412 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 138.6 | 176.9 | -66.8 | -94.5 | 0 | 0 | 0 | 111.3 | G639 G641 L647 Y698 V699 A700 I721 | G639-Y723 PolarHBondContact O-N 3.04Å; G641-Y723 PolarHBondContact N-O 3.28Å; L647-Y723 WeakPolarHBondContact CD1-O 3.49Å; Y698-Y723 HydrophobicContact CD2-CD1 4.34Å; Y698-Y723 HydrophobicContact CE2-CD1 4.13Å; Y698-Y723 HydrophobicContact CE2-CG 4.25Å; V699-Y723 WeakPolarHBondContact O-CA 3.14Å; A700-Y723 HydrophobicContact CB-CD1 4.1Å; A700-Y723 HydrophobicContact CB-CE1 3.73Å; I721-Y723 HydrophobicContact CG2-CE2 4.47Å |
| 724 | S | 94 | Very high | 92.7 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 161.6 | 162.8 | 55.1 | 0 | 0 | 0 | 0 | 111 | N646 T695 P696 Y698 V699 | N646-S724 CarbonylContact O-C 3.58Å; N646-S724 VanDerWaalsContact O-CA 3.27Å; N646-S724 WeakPolarHBondContact O-CA 3.2Å; N646-S724 WeakPolarHBondContact O-CB 3.5Å; T695-S724 WeakPolarHBondContact OG1-CB 3.44Å; P696-S724 WeakPolarHBondContact O-CB 3.18Å; P696-S724 PolarHBondContact O-OG 2.79Å; Y698-S724 WeakPolarHBondContact CA-O 3.33Å; Y698-S724 PolarHBondContact N-OG 2.96Å; V699-S724 PolarHBondContact N-OG 2.83Å; V699-S724 PolarHBondContact O-N 2.82Å; V699-S724 PolarHBondContact O-OG 3.4Å |
| 725 | G | 91 | Very high | 92.5 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G641 E643 N646 T697 Y698 | G641-G725 VanDerWaalsContact O-CA 3.24Å; G641-G725 WeakPolarHBondContact O-CA 3.37Å; E643-G725 VanDerWaalsContact O-CA 3.3Å; E643-G725 WeakPolarHBondContact O-CA 3.35Å; N646-G725 PolarHBondContact O-N 2.68Å; T697-G725 WeakPolarHBondContact CG2-O 3.34Å; Y698-G725 PolarHBondContact N-O 2.88Å |
| 726 | E | 92.7 | Very high | 92.5 | Very high | 27 Ų | 27 | 55.5 Ų | 55.5 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 157.9 | 173.5 | -55.4 | -174.7 | -128.1 | 0 | 0 | 112.1 | Y698 R759 G760 E761 N818 K819 | Y698-E726 HydrophobicContact CD2-CG 3.5Å; Y698-E726 VanDerWaalsContact CD2-CG 3.5Å; Y698-E726 HydrophobicContact CE2-CG 3.89Å; Y698-E726 HydrophobicContact CG-CG 4.15Å; E726-R759 WeakPolarHBondContact CA-O 3.49Å; E726-G760 WeakPolarHBondContact OE2-CA 3.15Å; E726-E761 PolarHBondContact OE2-N 2.85Å; E726-N818 WeakPolarHBondContact OE1-CB 3.28Å; E726-N818 PolarHBondContact OE1-ND2 2.94Å; E726-K819 HydrophobicContact CB-CD 4.22Å; E726-K819 HydrophobicContact CB-CG 3.45Å; E726-K819 VanDerWaalsContact CB-CG 3.45Å; E726-K819 WeakPolarHBondContact O-CE 3.33Å |
| 727 | D | 93.1 | Very high | 92.5 | Very high | 52 Ų | 52 | 55.5 Ų | 55.5 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | trans | -133.7 | 171.8 | 163.6 | -159.9 | -8.3 | 0 | 0 | 0 | 109.3 | T697 R759 N817 | T697-D727 HydrophobicContact CG2-CB 3.68Å; D727-R759 HydrophobicContact CB-CB 4.49Å; D727-R759 VanDerWaalsContact CB-CZ 3.44Å; D727-R759 VanDerWaalsContact CB-NH2 3.33Å; D727-R759 PolarHBondContact N-O 2.78Å; D727-R759 IonicContact OD2-CZ 2.9Å; D727-R759 IonicContact OD2-NH1 3.93Å; D727-R759 PolarHBondContact OD2-NH1 3.25Å; D727-R759 IonicContact OD2-NH2 2.74Å; D727-R759 PolarHBondContact OD2-NH2 2.89Å; D727-N817 PolarHBondContact O-ND2 3.25Å | ||
| 728 | K | 91.9 | Very high | 92.6 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 48% | 0.483 | 29% | 0.294 | S | S | . | . | trans | -62.1 | 149.1 | 175.6 | -68.3 | 177.2 | 178.3 | -174.7 | 0 | 112.1 | L730 K819 | K728-L730 PolarHBondContact O-N 2.85Å; K728-K819 WeakPolarHBondContact CE-O 3.33Å; K728-K819 HydrophobicContact CG-CB 4.34Å | ||
| 729 | P | 95 | Very high | 92.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | trans | -58.6 | 136.8 | 176.1 | -23.1 | 33.3 | 0 | 0 | 0 | 112.3 | S757 V758 V815 N817 G820 G822 P823 | P729-S757 CarbonylContact C-O 3.57Å; P729-S757 VanDerWaalsContact CA-O 3.23Å; P729-S757 WeakPolarHBondContact CA-O 3.46Å; P729-V758 WeakPolarHBondContact CA-O 3.42Å; P729-V815 HydrophobicContact CB-CG1 3.5Å; P729-V815 HydrophobicContact CB-CG2 4.45Å; P729-V815 HydrophobicContact CG-CG1 3.97Å; P729-V815 HydrophobicContact CG-CG2 4.24Å; P729-N817 WeakPolarHBondContact CD-ND2 3.19Å; P729-N817 HydrophobicContact CG-CB 4.45Å; P729-G820 WeakPolarHBondContact CD-O 3.49Å; P729-G822 VanDerWaalsContact O-CA 3.27Å; P729-G822 WeakPolarHBondContact O-CA 3.15Å; P729-P823 VanDerWaalsContact O-CD 3.23Å; P729-P823 WeakPolarHBondContact O-CD 3.43Å | ||
| 730 | L | 93.2 | Very high | 92.7 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 63% | 0.628 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -83.2 | -30.6 | -174.1 | -176.1 | 63.4 | 0 | 0 | 0 | 113.1 | K728 S757 | K728-L730 PolarHBondContact O-N 2.85Å; L730-S757 PolarHBondContact N-O 3.03Å |
| 731 | S | 91.6 | Very high | 92 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 33% | 0.329 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -109.2 | 147.3 | -173.5 | -65 | 0 | 0 | 0 | 0 | 112.1 | S757 V815 | S731-S757 VanDerWaalsContact OG-CB 3.28Å; S731-S757 WeakPolarHBondContact OG-CB 3.29Å; S731-V815 VanDerWaalsContact O-CG1 3.31Å; S731-V815 WeakPolarHBondContact O-CG1 3.36Å |
| 732 | A | 92.3 | Very high | 91.5 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 154.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P823 P824 | A732-P823 HydrophobicContact CB-CB 4.49Å; A732-P823 HydrophobicContact CB-CG 4.19Å; A732-P823 WeakPolarHBondContact CB-O 3.33Å; A732-P824 WeakPolarHBondContact CB-O 3.06Å |
| 733 | P | 93.1 | Very high | 91.1 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.013 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 140 | 171.4 | -22.1 | 34.3 | 0 | 0 | 0 | 112.3 | W750 V753 Y765 I813 S825 | P733-W750 HydrophobicContact CB-CB 4.32Å; P733-W750 HydrophobicContact CB-CG 4.29Å; P733-V753 HydrophobicContact CG-CG1 4.47Å; P733-Y765 HydrophobicContact CB-CD1 4.44Å; P733-Y765 HydrophobicContact CB-CE1 4.37Å; P733-Y765 HydrophobicContact CG-CD1 3.73Å; P733-Y765 HydrophobicContact CG-CE1 3.89Å; P733-I813 HydrophobicContact CB-CB 4.44Å; P733-I813 HydrophobicContact CB-CG2 4.44Å; P733-I813 HydrophobicContact CG-CB 4.18Å; P733-I813 HydrophobicContact CG-CG2 3.98Å; P733-S825 WeakPolarHBondContact O-CB 3.34Å |
| 734 | G | 88.7 | Confident | 90.7 | Very high | 24 Ų | 24 | 53.5 Ų | 53.5 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 173.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V736 E751 | G734-V736 VanDerWaalsContact C-N 3.32Å; G734-V736 PolarHBondContact O-N 3.2Å; G734-E751 PolarHBondContact N-O 2.96Å; G734-E751 PolarHBondContact O-N 3.09Å |
| 735 | R | 89.4 | Confident | 90.3 | Very high | 178 Ų | 178 | 55.5 Ų | 55.5 | 67% | 0.672 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 37.3 | 49.9 | 167.2 | -57 | -179.2 | -150.7 | -176.2 | 8.7 | 116.1 | Q737 E751 | R735-Q737 PolarHBondContact O-N 3.41Å; R735-Q737 VanDerWaalsContact O-N 3.16Å; R735-E751 HydrophobicContact CB-CB 4.12Å; R735-E751 WeakPolarHBondContact CD-OE2 3.14Å; R735-E751 HydrophobicContact CG-CB 4.31Å; R735-E751 WeakPolarHBondContact CG-OE2 3.37Å; R735-E751 IonicContact CZ-OE1 2.78Å; R735-E751 IonicContact CZ-OE2 3.81Å; R735-E751 IonicContact NE-OE1 2.72Å; R735-E751 PolarHBondContact NE-OE1 2.81Å; R735-E751 IonicContact NE-OE2 2.74Å; R735-E751 PolarHBondContact NE-OE2 2.94Å; R735-E751 IonicContact NH1-OE1 2.76Å; R735-E751 IonicContact NH2-OE1 3.25Å; R735-E751 PolarHBondContact NH2-OE1 2.68Å; R735-E751 IonicContact NH2-OE2 2.6Å |
| 736 | V | 92.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 14% | 0.139 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 116.8 | -179.7 | -177.1 | 0 | 0 | 0 | 0 | 111 | G734 V748 Q749 W750 L811 I813 K828 | G734-V736 VanDerWaalsContact C-N 3.32Å; G734-V736 PolarHBondContact O-N 3.2Å; V736-V748 HydrophobicContact CG1-CG2 4.01Å; V736-Q749 CarbonylContact C-O 3.52Å; V736-Q749 WeakPolarHBondContact CA-O 3.34Å; V736-W750 HydrophobicContact CG2-CB 4.25Å; V736-L811 HydrophobicContact CG1-CD1 3.69Å; V736-I813 HydrophobicContact CG1-CD1 3.94Å; V736-I813 HydrophobicContact CG1-CG1 4.37Å; V736-I813 HydrophobicContact CG2-CD1 3.88Å; V736-I813 HydrophobicContact CG2-CG1 4.17Å; V736-K828 HydrophobicContact CG1-CB 4.19Å; V736-K828 HydrophobicContact CG1-CG 4.46Å |
| 737 | Q | 92.5 | Very high | 90.1 | Very high | 122 Ų | 122 | 56.7 Ų | 56.7 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 150.7 | 176.6 | -67.1 | -175.1 | 76.1 | 0 | 0 | 109.8 | R735 V748 Q749 | R735-Q737 PolarHBondContact O-N 3.41Å; R735-Q737 VanDerWaalsContact O-N 3.16Å; Q737-V748 WeakPolarHBondContact O-CA 3.3Å; Q737-Q749 PolarHBondContact N-O 3.17Å; Q737-Q749 PolarHBondContact O-N 2.76Å |
| 738 | V | 94.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.1 | 178.6 | -178.5 | 0 | 0 | 0 | 0 | 109 | V740 A746 E747 V748 L811 K828 F830 | V738-V740 HydrophobicContact CG1-CG2 4.22Å; V738-A746 HydrophobicContact CG1-CB 4.05Å; V738-E747 CarbonylContact C-O 3.54Å; V738-E747 VanDerWaalsContact CA-O 3.29Å; V738-E747 WeakPolarHBondContact CA-O 3.31Å; V738-E747 WeakPolarHBondContact CG1-O 3.25Å; V738-V748 HydrophobicContact CG2-CB 4.37Å; V738-V748 HydrophobicContact CG2-CG2 4.18Å; V738-L811 HydrophobicContact CG2-CD1 4.44Å; V738-L811 HydrophobicContact CG2-CD2 3.77Å; V738-L811 HydrophobicContact CG2-CG 4.27Å; V738-K828 HydrophobicContact CG2-CG 3.72Å; V738-F830 HydrophobicContact CB-CD1 4.49Å; V738-F830 HydrophobicContact CB-CG 4.5Å; V738-F830 HydrophobicContact CG1-CB 4.15Å; V738-F830 HydrophobicContact CG1-CD1 3.86Å; V738-F830 HydrophobicContact CG1-CD2 3.98Å; V738-F830 HydrophobicContact CG1-CE1 4.2Å; V738-F830 HydrophobicContact CG1-CE2 4.3Å; V738-F830 HydrophobicContact CG1-CG 3.73Å; V738-F830 HydrophobicContact CG1-CZ 4.4Å; V738-F830 HydrophobicContact CG2-CD1 4.39Å |
| 739 | T | 92.4 | Very high | 90.2 | Very high | 66 Ų | 66 | 52 Ų | 52 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 134 | 177.8 | 24.3 | 0 | 0 | 0 | 0 | 108.1 | P741 A746 E747 | T739-P741 VanDerWaalsContact O-CD 3.25Å; T739-P741 WeakPolarHBondContact O-CD 3.35Å; T739-A746 CarbonylContact O-C 3.55Å; T739-A746 WeakPolarHBondContact O-CA 3.4Å; T739-E747 PolarHBondContact N-O 2.83Å; T739-E747 PolarHBondContact O-N 2.9Å; T739-E747 WeakPolarHBondContact OG1-CB 3.43Å; T739-E747 VanDerWaalsContact OG1-CD 3.25Å; T739-E747 PolarHBondContact OG1-OE2 2.85Å |
| 740 | V | 91.4 | Very high | 90.2 | Very high | 44 Ų | 44 | 52.3 Ų | 52.3 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | trans | -118.1 | 86.4 | -170.8 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | V738 N742 A746 F830 P833 | V738-V740 HydrophobicContact CG1-CG2 4.22Å; V740-N742 WeakPolarHBondContact CG1-O 3.37Å; V740-N742 PolarHBondContact O-N 3.07Å; V740-A746 HydrophobicContact CG2-CB 4.33Å; V740-F830 HydrophobicContact CG2-CD2 3.67Å; V740-F830 HydrophobicContact CG2-CE2 4.3Å; V740-F830 HydrophobicContact CG2-CG 4.47Å; V740-P833 HydrophobicContact CG1-CG 4.45Å | ||
| 741 | P | 80.4 | Confident | 90.2 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | trans | -66.3 | -30.2 | -174.6 | 24.2 | -35.4 | 0 | 0 | 0 | 114.3 | T739 L745 | T739-P741 VanDerWaalsContact O-CD 3.25Å; T739-P741 WeakPolarHBondContact O-CD 3.35Å; P741-L745 VanDerWaalsContact CD-O 3.3Å; P741-L745 WeakPolarHBondContact CD-O 3.35Å; P741-L745 HydrophobicContact CG-CB 4.48Å; P741-L745 HydrophobicContact CG-CD2 4.22Å; P741-L745 HydrophobicContact CG-CG 4.23Å | ||
| 742 | N | 84.8 | Confident | 90.2 | Very high | 66 Ų | 66 | 50.6 Ų | 50.6 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -151.7 | -174.9 | 178.1 | 70.3 | 44.7 | 0 | 0 | 0 | 111.7 | V740 T744 L745 | V740-N742 WeakPolarHBondContact CG1-O 3.37Å; V740-N742 PolarHBondContact O-N 3.07Å; N742-T744 VanDerWaalsContact C-N 3.31Å; N742-T744 PolarHBondContact O-N 2.9Å; N742-T744 PolarHBondContact OD1-N 2.9Å; N742-T744 PolarHBondContact OD1-OG1 3.09Å; N742-L745 VanDerWaalsContact OD1-CB 3.31Å; N742-L745 WeakPolarHBondContact OD1-CB 3.33Å; N742-L745 PolarHBondContact OD1-N 2.83Å |
| 743 | S | 84.9 | Confident | 90.2 | Very high | 25 Ų | 25 | 49.5 Ų | 49.5 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -73.6 | -10.8 | -175.8 | 53.9 | 0 | 0 | 0 | 0 | 115.7 | Q804 P805 T832 P833 | S743-Q804 CarbonylContact O-C 3.58Å; S743-P805 VanDerWaalsContact O-CA 3.3Å; S743-P805 WeakPolarHBondContact O-CA 3.41Å; S743-T832 WeakPolarHBondContact O-CB 3.25Å; S743-P833 WeakPolarHBondContact CB-O 3.47Å |
| 744 | T | 84.9 | Confident | 89.9 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -126.6 | 3.2 | -175.4 | 59.5 | 0 | 0 | 0 | 0 | 114.5 | N742 G802 L803 P805 | N742-T744 VanDerWaalsContact C-N 3.31Å; N742-T744 PolarHBondContact O-N 2.9Å; N742-T744 PolarHBondContact OD1-N 2.9Å; N742-T744 PolarHBondContact OD1-OG1 3.09Å; T744-G802 PolarHBondContact O-N 3.35Å; T744-L803 VanDerWaalsContact CA-O 3.26Å; T744-L803 WeakPolarHBondContact CA-O 3.18Å; T744-L803 WeakPolarHBondContact CB-O 3.43Å; T744-L803 WeakPolarHBondContact CG2-O 3.42Å; T744-L803 PolarHBondContact O-N 3.04Å; T744-P805 HydrophobicContact CG2-CG 4.07Å |
| 745 | L | 86.3 | Confident | 89.6 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 23% | 0.225 | 31% | 0.308 | C | S | . | . | trans | -143.4 | 129.9 | -171.8 | -175.3 | 66 | 0 | 0 | 0 | 110.7 | P741 N742 M799 P801 | P741-L745 VanDerWaalsContact CD-O 3.3Å; P741-L745 WeakPolarHBondContact CD-O 3.35Å; P741-L745 HydrophobicContact CG-CB 4.48Å; P741-L745 HydrophobicContact CG-CD2 4.22Å; P741-L745 HydrophobicContact CG-CG 4.23Å; N742-L745 VanDerWaalsContact OD1-CB 3.31Å; N742-L745 WeakPolarHBondContact OD1-CB 3.33Å; N742-L745 PolarHBondContact OD1-N 2.83Å; L745-M799 HydrophobicContact CD1-CB 4.35Å; L745-M799 HydrophobicContact CD1-CE 3.9Å; L745-M799 HydrophobicContact CD2-CE 3.71Å; L745-M799 HydrophobicContact CG-CE 3.74Å; L745-P801 HydrophobicContact CD1-CB 4.17Å | ||
| 746 | A | 87.8 | Confident | 89.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 153.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V738 T739 V740 L800 L803 F830 | V738-A746 HydrophobicContact CG1-CB 4.05Å; T739-A746 CarbonylContact O-C 3.55Å; T739-A746 WeakPolarHBondContact O-CA 3.4Å; V740-A746 HydrophobicContact CG2-CB 4.33Å; A746-L800 HydrophobicContact CB-CB 4.27Å; A746-L800 HydrophobicContact CB-CD1 4.29Å; A746-L800 PolarHBondContact N-O 3.47Å; A746-L800 VanDerWaalsContact N-O 3.1Å; A746-L800 PolarHBondContact O-N 3.15Å; A746-L803 HydrophobicContact CB-CD1 3.66Å; A746-F830 HydrophobicContact CB-CD2 4.4Å; A746-F830 HydrophobicContact CB-CE2 3.62Å; A746-F830 HydrophobicContact CB-CZ 3.93Å |
| 747 | E | 91.1 | Very high | 89.3 | Confident | 54 Ų | 54 | 54 Ų | 54 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139.3 | 168.4 | 172.1 | -166.4 | -167.5 | 0 | 0 | 107.3 | V738 T739 Q749 M799 | V738-E747 CarbonylContact C-O 3.54Å; V738-E747 VanDerWaalsContact CA-O 3.29Å; V738-E747 WeakPolarHBondContact CA-O 3.31Å; V738-E747 WeakPolarHBondContact CG1-O 3.25Å; T739-E747 PolarHBondContact N-O 2.83Å; T739-E747 PolarHBondContact O-N 2.9Å; T739-E747 WeakPolarHBondContact OG1-CB 3.43Å; T739-E747 VanDerWaalsContact OG1-CD 3.25Å; T739-E747 PolarHBondContact OG1-OE2 2.85Å; E747-Q749 HydrophobicContact CG-CG 4.42Å; E747-Q749 PolarHBondContact OE1-NE2 2.94Å; E747-M799 HydrophobicContact CB-CE 4.1Å; E747-M799 HydrophobicContact CB-SD 3.73Å; E747-M799 HydrophobicContact CG-SD 3.95Å |
| 748 | V | 94.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 130.5 | 177.5 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | V736 Q737 V738 W750 V767 E797 G798 L800 L811 I813 | V736-V748 HydrophobicContact CG1-CG2 4.01Å; Q737-V748 WeakPolarHBondContact O-CA 3.3Å; V738-V748 HydrophobicContact CG2-CB 4.37Å; V738-V748 HydrophobicContact CG2-CG2 4.18Å; V748-W750 HydrophobicContact CG1-CZ3 4.24Å; V748-W750 HydrophobicContact CG2-CE3 4.4Å; V748-V767 HydrophobicContact CG1-CG1 4.41Å; V748-V767 HydrophobicContact CG1-CG2 4.26Å; V748-E797 CarbonylContact O-C 3.56Å; V748-E797 VanDerWaalsContact O-CA 3.32Å; V748-E797 WeakPolarHBondContact O-CA 3.48Å; V748-G798 WeakPolarHBondContact CG1-O 3.33Å; V748-G798 PolarHBondContact N-O 2.83Å; V748-G798 PolarHBondContact O-N 2.86Å; V748-L800 HydrophobicContact CB-CD1 4.23Å; V748-L800 HydrophobicContact CG1-CD1 4.03Å; V748-L800 HydrophobicContact CG1-CD2 3.87Å; V748-L800 HydrophobicContact CG1-CG 3.88Å; V748-L811 HydrophobicContact CB-CD2 4.21Å; V748-L811 HydrophobicContact CG2-CD1 4.18Å; V748-L811 HydrophobicContact CG2-CD2 3.96Å; V748-I813 HydrophobicContact CG2-CD1 3.88Å |
| 749 | Q | 94.3 | Very high | 89 | Confident | 66 Ų | 66 | 49.8 Ų | 49.8 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.2 | -179.4 | -60.7 | -177.8 | 0 | 0 | 0 | 110.2 | V736 Q737 E747 S796 E797 | V736-Q749 CarbonylContact C-O 3.52Å; V736-Q749 WeakPolarHBondContact CA-O 3.34Å; Q737-Q749 PolarHBondContact N-O 3.17Å; Q737-Q749 PolarHBondContact O-N 2.76Å; E747-Q749 HydrophobicContact CG-CG 4.42Å; E747-Q749 PolarHBondContact OE1-NE2 2.94Å; Q749-S796 CarbonylContact C-O 3.54Å; Q749-S796 WeakPolarHBondContact CA-O 3.39Å; Q749-E797 HydrophobicContact CG-CB 4.12Å |
| 750 | W | 94.6 | Very high | 88.9 | Confident | 10 Ų | 10 | 47 Ų | 47 | 4% | 0.038 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 154.7 | -178.5 | 62.9 | 88.9 | 0 | 0 | 0 | 112.8 | P733 V736 V748 P752 Y765 V767 F791 R795 S796 E797 I813 | P733-W750 HydrophobicContact CB-CB 4.32Å; P733-W750 HydrophobicContact CB-CG 4.29Å; V736-W750 HydrophobicContact CG2-CB 4.25Å; V748-W750 HydrophobicContact CG1-CZ3 4.24Å; V748-W750 HydrophobicContact CG2-CE3 4.4Å; W750-P752 WeakPolarHBondContact O-CD 3.29Å; W750-Y765 AromaticContact CE2-CG 3.93Å; W750-Y765 AromaticContact CZ2-CD2 3.99Å; W750-Y765 HydrophobicContact CZ2-CD2 3.99Å; W750-Y765 AromaticContact CZ2-CG 3.93Å; W750-Y765 HydrophobicContact CZ2-CG 3.93Å; W750-Y765 AromaticContact NE1-CD1 3.54Å; W750-Y765 AromaticContact NE1-CD2 3.67Å; W750-Y765 AromaticContact NE1-CE1 3.71Å; W750-Y765 AromaticContact NE1-CE2 3.84Å; W750-Y765 AromaticContact NE1-CG 3.53Å; W750-Y765 AromaticContact NE1-CZ 3.87Å; W750-V767 HydrophobicContact CH2-CG2 4.47Å; W750-V767 HydrophobicContact CZ3-CG2 4.17Å; W750-F791 HydrophobicContact CH2-CB 4.23Å; W750-F791 AromaticContact CH2-CD2 3.94Å; W750-F791 HydrophobicContact CH2-CD2 3.94Å; W750-F791 HydrophobicContact CH2-CG 4.01Å; W750-F791 HydrophobicContact CZ2-CB 4.43Å; W750-R795 VanDerWaalsContact CE2-O 3.32Å; W750-R795 HydrophobicContact CZ2-CB 4.16Å; W750-R795 WeakPolarHBondContact CZ2-O 3.42Å; W750-R795 PolarHBondContact NE1-O 2.93Å; W750-S796 PolarHBondContact N-O 3.01Å; W750-S796 WeakPolarHBondContact O-CB 3.35Å; W750-E797 VanDerWaalsContact CH2-C 3.47Å; W750-E797 WeakPolarHBondContact CH2-O 3.45Å; W750-E797 VanDerWaalsContact CZ3-C 3.44Å; W750-I813 HydrophobicContact CB-CD1 3.8Å; W750-I813 HydrophobicContact CD2-CD1 3.72Å; W750-I813 HydrophobicContact CE3-CD1 3.49Å; W750-I813 VanDerWaalsContact CE3-CD1 3.49Å; W750-I813 HydrophobicContact CG-CD1 3.89Å; W750-I813 HydrophobicContact CZ3-CD1 4.29Å |
| 751 | E | 93.1 | Very high | 88.9 | Confident | 77 Ų | 77 | 49.3 Ų | 49.3 | 36% | 0.36 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 121.2 | 172.3 | -178.3 | 170 | -138.1 | 0 | 0 | 109.3 | G734 R735 | G734-E751 PolarHBondContact N-O 2.96Å; G734-E751 PolarHBondContact O-N 3.09Å; R735-E751 HydrophobicContact CB-CB 4.12Å; R735-E751 WeakPolarHBondContact CD-OE2 3.14Å; R735-E751 HydrophobicContact CG-CB 4.31Å; R735-E751 WeakPolarHBondContact CG-OE2 3.37Å; R735-E751 IonicContact CZ-OE1 2.78Å; R735-E751 IonicContact CZ-OE2 3.81Å; R735-E751 IonicContact NE-OE1 2.72Å; R735-E751 PolarHBondContact NE-OE1 2.81Å; R735-E751 IonicContact NE-OE2 2.74Å; R735-E751 PolarHBondContact NE-OE2 2.94Å; R735-E751 IonicContact NH1-OE1 2.76Å; R735-E751 IonicContact NH2-OE1 3.25Å; R735-E751 PolarHBondContact NH2-OE1 2.68Å; R735-E751 IonicContact NH2-OE2 2.6Å |
| 752 | P | 90.8 | Very high | 89.4 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 153.2 | 177.7 | -29.8 | 38.5 | 0 | 0 | 0 | 113.9 | W750 Y765 | W750-P752 WeakPolarHBondContact O-CD 3.29Å; P752-Y765 WeakPolarHBondContact CA-OH 3.46Å; P752-Y765 WeakPolarHBondContact CB-OH 3.27Å |
| 753 | V | 91.8 | Very high | 89.8 | Confident | 11 Ų | 11 | 47.4 Ų | 47.4 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 150.8 | 173 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | P733 V758 Y765 V815 | P733-V753 HydrophobicContact CG-CG1 4.47Å; V753-V758 HydrophobicContact CG2-CG2 3.82Å; V753-Y765 HydrophobicContact CG1-CE1 4.48Å; V753-Y765 PolarHBondContact N-OH 2.85Å; V753-V815 HydrophobicContact CG1-CB 4.33Å; V753-V815 HydrophobicContact CG1-CG1 3.96Å; V753-V815 HydrophobicContact CG2-CB 4.21Å; V753-V815 HydrophobicContact CG2-CG1 4.19Å; V753-V815 HydrophobicContact CG2-CG2 3.83Å |
| 754 | S | 87.8 | Confident | 90.2 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 50% | 0.503 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -76 | 144.2 | 179.1 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | P756 S757 V758 | S754-P756 VanDerWaalsContact C-CD 3.44Å; S754-P756 VanDerWaalsContact C-N 3.35Å; S754-P756 VanDerWaalsContact O-N 3.16Å; S754-S757 PolarHBondContact N-OG 3.27Å; S754-S757 WeakPolarHBondContact O-CA 3.19Å; S754-S757 WeakPolarHBondContact O-CB 3.44Å; S754-S757 PolarHBondContact O-N 3.12Å; S754-S757 PolarHBondContact O-OG 3.03Å; S754-S757 PolarHBondContact OG-OG 2.88Å; S754-V758 PolarHBondContact O-N 3.26Å |
| 755 | N | 82.8 | Confident | 90.7 | Very high | 128 Ų | 128 | 43.1 Ų | 43.1 | 68% | 0.684 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -48.5 | -44.8 | -176.6 | -58.8 | 8.5 | 0 | 0 | 0 | 114.1 | S757 V758 | N755-S757 PolarHBondContact O-N 2.84Å; N755-S757 VanDerWaalsContact O-N 3.15Å; N755-V758 PolarHBondContact O-N 3.14Å |
| 756 | P | 85.5 | Confident | 91.1 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 73% | 0.727 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.7 | -22.8 | 177.7 | -22.4 | 35 | 0 | 0 | 0 | 114.2 | S754 R759 | S754-P756 VanDerWaalsContact C-CD 3.44Å; S754-P756 VanDerWaalsContact C-N 3.35Å; S754-P756 VanDerWaalsContact O-N 3.16Å; P756-R759 WeakPolarHBondContact O-CG 3.29Å |
| 757 | S | 89.6 | Confident | 91.5 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -87.8 | -10.3 | 177.2 | 71.8 | 0 | 0 | 0 | 0 | 114 | P729 L730 S731 S754 N755 | P729-S757 CarbonylContact C-O 3.57Å; P729-S757 VanDerWaalsContact CA-O 3.23Å; P729-S757 WeakPolarHBondContact CA-O 3.46Å; L730-S757 PolarHBondContact N-O 3.03Å; S731-S757 VanDerWaalsContact OG-CB 3.28Å; S731-S757 WeakPolarHBondContact OG-CB 3.29Å; S754-S757 PolarHBondContact N-OG 3.27Å; S754-S757 WeakPolarHBondContact O-CA 3.19Å; S754-S757 WeakPolarHBondContact O-CB 3.44Å; S754-S757 PolarHBondContact O-N 3.12Å; S754-S757 PolarHBondContact O-OG 3.03Å; S754-S757 PolarHBondContact OG-OG 2.88Å; N755-S757 PolarHBondContact O-N 2.84Å; N755-S757 VanDerWaalsContact O-N 3.15Å |
| 758 | V | 90.4 | Very high | 91.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -36.3 | 172.4 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | P729 V753 S754 N755 G760 L762 N817 | P729-V758 WeakPolarHBondContact CA-O 3.42Å; V753-V758 HydrophobicContact CG2-CG2 3.82Å; S754-V758 PolarHBondContact O-N 3.26Å; N755-V758 PolarHBondContact O-N 3.14Å; V758-G760 VanDerWaalsContact CG1-O 3.23Å; V758-G760 WeakPolarHBondContact CG1-O 3.32Å; V758-G760 PolarHBondContact O-N 3.24Å; V758-G760 VanDerWaalsContact O-N 3.07Å; V758-L762 HydrophobicContact CG1-CB 3.98Å; V758-L762 HydrophobicContact CG1-CD1 4.14Å; V758-L762 HydrophobicContact CG2-CD1 4.32Å; V758-N817 HydrophobicContact CG1-CB 4.41Å; V758-N817 PolarHBondContact O-ND2 3.08Å |
| 759 | R | 90.8 | Very high | 91.5 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | trans | 53.2 | 26.3 | 177.8 | -63.3 | -176.6 | 66 | -134.9 | -2.2 | 114.5 | T697 E726 D727 P756 | T697-R759 HydrophobicContact CG2-CB 3.98Å; T697-R759 WeakPolarHBondContact CG2-O 3.5Å; T697-R759 PolarHBondContact OG1-NH2 3.07Å; E726-R759 WeakPolarHBondContact CA-O 3.49Å; D727-R759 HydrophobicContact CB-CB 4.49Å; D727-R759 VanDerWaalsContact CB-CZ 3.44Å; D727-R759 VanDerWaalsContact CB-NH2 3.33Å; D727-R759 PolarHBondContact N-O 2.78Å; D727-R759 IonicContact OD2-CZ 2.9Å; D727-R759 IonicContact OD2-NH1 3.93Å; D727-R759 PolarHBondContact OD2-NH1 3.25Å; D727-R759 IonicContact OD2-NH2 2.74Å; D727-R759 PolarHBondContact OD2-NH2 2.89Å; P756-R759 WeakPolarHBondContact O-CG 3.29Å | ||
| 760 | G | 90.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 176.8 | -168.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y698 E726 V758 | Y698-G760 VanDerWaalsContact CE1-C 3.46Å; Y698-G760 WeakPolarHBondContact CE1-O 3.34Å; E726-G760 WeakPolarHBondContact OE2-CA 3.15Å; V758-G760 VanDerWaalsContact CG1-O 3.23Å; V758-G760 WeakPolarHBondContact CG1-O 3.32Å; V758-G760 PolarHBondContact O-N 3.24Å; V758-G760 VanDerWaalsContact O-N 3.07Å |
| 761 | E | 90.1 | Very high | 90.8 | Very high | 93 Ų | 93 | 46.5 Ų | 46.5 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | trans | -78.3 | 125.6 | 178.8 | -167.3 | -176.8 | -160.7 | 0 | 0 | 110.7 | E726 Q763 N817 N818 | E726-E761 PolarHBondContact OE2-N 2.85Å; E761-Q763 PolarHBondContact O-N 3.16Å; E761-Q763 PolarHBondContact OE2-NE2 2.96Å; E761-N817 VanDerWaalsContact O-CA 3.26Å; E761-N817 WeakPolarHBondContact O-CA 3.47Å; E761-N817 WeakPolarHBondContact O-CB 3.27Å; E761-N818 WeakPolarHBondContact CB-ND2 3.41Å; E761-N818 PolarHBondContact OE2-ND2 2.67Å | ||
| 762 | L | 91.9 | Very high | 90.3 | Very high | 43 Ų | 43 | 44.3 Ų | 44.3 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | trans | -73.2 | 91.4 | -175.5 | -178.2 | 57.1 | 0 | 0 | 0 | 112.2 | V758 N794 V815 | V758-L762 HydrophobicContact CG1-CB 3.98Å; V758-L762 HydrophobicContact CG1-CD1 4.14Å; V758-L762 HydrophobicContact CG2-CD1 4.32Å; L762-N794 HydrophobicContact CD2-CB 3.69Å; L762-V815 HydrophobicContact CD1-CG2 3.5Å; L762-V815 VanDerWaalsContact CD1-CG2 3.5Å | ||
| 763 | Q | 93.6 | Very high | 89.3 | Confident | 66 Ų | 66 | 48.9 Ų | 48.9 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | trans | -73 | -35.7 | 176.8 | -65.6 | -58.9 | -34 | 0 | 0 | 112.4 | E761 S792 G793 F816 N818 | E761-Q763 PolarHBondContact O-N 3.16Å; E761-Q763 PolarHBondContact OE2-NE2 2.96Å; Q763-S792 WeakPolarHBondContact O-CA 3.29Å; Q763-G793 PolarHBondContact O-N 2.91Å; Q763-F816 HydrophobicContact CB-CD2 3.71Å; Q763-F816 HydrophobicContact CB-CE2 3.42Å; Q763-F816 VanDerWaalsContact CB-CE2 3.42Å; Q763-F816 HydrophobicContact CB-CZ 4.04Å; Q763-F816 PolarHBondContact N-O 3.4Å; Q763-N818 VanDerWaalsContact CD-OD1 3.31Å; Q763-N818 VanDerWaalsContact CG-OD1 3.25Å; Q763-N818 WeakPolarHBondContact CG-OD1 3.5Å; Q763-N818 PolarHBondContact NE2-OD1 3.3Å | ||
| 764 | G | 93.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.2 | -147.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | F791 V815 F816 | G764-F791 WeakPolarHBondContact CA-O 3.41Å; G764-V815 CarbonylContact O-C 3.55Å; G764-V815 WeakPolarHBondContact O-CA 3.37Å; G764-F816 VanDerWaalsContact C-CD1 3.43Å; G764-F816 PolarHBondContact N-O 3.19Å; G764-F816 VanDerWaalsContact O-CD1 3.23Å; G764-F816 WeakPolarHBondContact O-CD1 3.42Å; G764-F816 PolarHBondContact O-N 2.68Å |
| 765 | Y | 95.3 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 152.3 | -178.3 | -58.7 | -90.5 | 0 | 0 | 0 | 112 | P733 W750 P752 V753 F791 N794 R795 K814 V815 | P733-Y765 HydrophobicContact CB-CD1 4.44Å; P733-Y765 HydrophobicContact CB-CE1 4.37Å; P733-Y765 HydrophobicContact CG-CD1 3.73Å; P733-Y765 HydrophobicContact CG-CE1 3.89Å; W750-Y765 AromaticContact CE2-CG 3.93Å; W750-Y765 AromaticContact CZ2-CD2 3.99Å; W750-Y765 HydrophobicContact CZ2-CD2 3.99Å; W750-Y765 AromaticContact CZ2-CG 3.93Å; W750-Y765 HydrophobicContact CZ2-CG 3.93Å; W750-Y765 AromaticContact NE1-CD1 3.54Å; W750-Y765 AromaticContact NE1-CD2 3.67Å; W750-Y765 AromaticContact NE1-CE1 3.71Å; W750-Y765 AromaticContact NE1-CE2 3.84Å; W750-Y765 AromaticContact NE1-CG 3.53Å; W750-Y765 AromaticContact NE1-CZ 3.87Å; P752-Y765 WeakPolarHBondContact CA-OH 3.46Å; P752-Y765 WeakPolarHBondContact CB-OH 3.27Å; V753-Y765 HydrophobicContact CG1-CE1 4.48Å; V753-Y765 PolarHBondContact N-OH 2.85Å; Y765-F791 PolarHBondContact N-O 3.18Å; Y765-F791 PolarHBondContact O-N 3.29Å; Y765-N794 PolarHBondContact OH-OD1 2.84Å; Y765-R795 VanDerWaalsContact CD2-O 3.31Å; Y765-R795 WeakPolarHBondContact CD2-O 3.21Å; Y765-R795 WeakPolarHBondContact CE2-O 3.19Å; Y765-K814 CarbonylContact C-O 3.58Å; Y765-K814 VanDerWaalsContact CA-O 3.27Å; Y765-K814 WeakPolarHBondContact CA-O 3.45Å; Y765-V815 HydrophobicContact CD1-CB 3.84Å; Y765-V815 HydrophobicContact CD1-CG2 4.3Å; Y765-V815 HydrophobicContact CE1-CB 3.77Å; Y765-V815 HydrophobicContact CE1-CG2 4.01Å |
| 766 | R | 94.9 | Very high | 84.2 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 30% | 0.298 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.8 | 175.1 | -73.2 | 176.3 | 177 | -177.1 | -2 | 109.9 | Y768 I788 L789 T790 I813 K814 F816 E821 | R766-Y768 HydrophobicContact CB-CD2 4.43Å; R766-Y768 HydrophobicContact CB-CE2 3.79Å; R766-I788 HydrophobicContact CB-CG2 4.43Å; R766-L789 CarbonylContact C-O 3.59Å; R766-L789 WeakPolarHBondContact CA-O 3.22Å; R766-T790 HydrophobicContact CG-CG2 4.18Å; R766-I813 CarbonylContact O-C 3.57Å; R766-I813 WeakPolarHBondContact O-CA 2.98Å; R766-I813 WeakPolarHBondContact O-CG2 3.33Å; R766-K814 PolarHBondContact N-O 2.87Å; R766-K814 PolarHBondContact O-N 2.99Å; R766-F816 HydrophobicContact CG-CD1 3.86Å; R766-F816 HydrophobicContact CG-CE1 3.9Å; R766-E821 VanDerWaalsContact CD-OE1 3.22Å; R766-E821 WeakPolarHBondContact CD-OE1 3.38Å; R766-E821 IonicContact CZ-OE1 3.18Å; R766-E821 IonicContact NE-OE1 3.67Å; R766-E821 IonicContact NH1-OE1 3.47Å; R766-E821 PolarHBondContact NH1-OE1 2.82Å |
| 767 | V | 94.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.6 | 173.6 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | V748 W750 I788 L789 F791 L800 L811 I813 | V748-V767 HydrophobicContact CG1-CG1 4.41Å; V748-V767 HydrophobicContact CG1-CG2 4.26Å; W750-V767 HydrophobicContact CH2-CG2 4.47Å; W750-V767 HydrophobicContact CZ3-CG2 4.17Å; V767-I788 WeakPolarHBondContact O-CA 3.34Å; V767-L789 PolarHBondContact N-O 2.99Å; V767-L789 PolarHBondContact O-N 2.82Å; V767-F791 HydrophobicContact CB-CE2 4.2Å; V767-F791 HydrophobicContact CG2-CD2 3.91Å; V767-F791 HydrophobicContact CG2-CE2 3.64Å; V767-L800 HydrophobicContact CB-CD2 4.49Å; V767-L800 HydrophobicContact CG1-CD2 3.99Å; V767-L811 HydrophobicContact CG1-CB 4.49Å; V767-L811 HydrophobicContact CG1-CD2 4.28Å; V767-I813 HydrophobicContact CG1-CG1 4.36Å; V767-I813 HydrophobicContact CG2-CD1 4.11Å; V767-I813 HydrophobicContact CG2-CG1 4.05Å; V767-I813 HydrophobicContact CG2-CG2 4.04Å |
| 768 | Y | 92.8 | Very high | 80.3 | Confident | 16 Ų | 16 | 63.2 Ų | 63.2 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.3 | 175.5 | -69.4 | -102 | 0 | 0 | 0 | 108.5 | R766 E786 Q787 I788 L811 F812 K814 E821 | R766-Y768 HydrophobicContact CB-CD2 4.43Å; R766-Y768 HydrophobicContact CB-CE2 3.79Å; Y768-E786 HydrophobicContact CD1-CG 4.15Å; Y768-E786 WeakPolarHBondContact CD1-OE2 3.25Å; Y768-Q787 CarbonylContact C-O 3.45Å; Y768-Q787 WeakPolarHBondContact CA-O 3.4Å; Y768-I788 HydrophobicContact CD1-CD1 4.1Å; Y768-I788 HydrophobicContact CD1-CG1 3.77Å; Y768-I788 HydrophobicContact CD1-CG2 4.46Å; Y768-I788 HydrophobicContact CE1-CD1 3.51Å; Y768-I788 HydrophobicContact CE1-CG1 3.68Å; Y768-I788 HydrophobicContact CE1-CG2 4.15Å; Y768-I788 HydrophobicContact CE2-CG2 4.43Å; Y768-L811 CarbonylContact O-C 3.4Å; Y768-L811 WeakPolarHBondContact O-CA 3.47Å; Y768-L811 VanDerWaalsContact O-CB 3.22Å; Y768-L811 WeakPolarHBondContact O-CB 3.24Å; Y768-F812 HydrophobicContact CD1-CE2 4.16Å; Y768-F812 AromaticContact CD1-CZ 3.93Å; Y768-F812 HydrophobicContact CD1-CZ 3.93Å; Y768-F812 HydrophobicContact CD2-CD2 4.06Å; Y768-F812 AromaticContact CD2-CE2 3.49Å; Y768-F812 HydrophobicContact CD2-CE2 3.49Å; Y768-F812 VanDerWaalsContact CD2-CE2 3.49Å; Y768-F812 HydrophobicContact CD2-CZ 4.07Å; Y768-F812 HydrophobicContact CE2-CE2 4.23Å; Y768-F812 HydrophobicContact CG-CD2 4.22Å; Y768-F812 HydrophobicContact CG-CE1 4.33Å; Y768-F812 AromaticContact CG-CE2 3.45Å; Y768-F812 HydrophobicContact CG-CE2 3.45Å; Y768-F812 VanDerWaalsContact CG-CE2 3.45Å; Y768-F812 AromaticContact CG-CZ 3.52Å; Y768-F812 HydrophobicContact CG-CZ 3.52Å; Y768-F812 PolarHBondContact N-O 3.37Å; Y768-F812 PolarHBondContact O-N 2.91Å; Y768-K814 HydrophobicContact CE2-CD 3.79Å; Y768-K814 HydrophobicContact CE2-CG 4.13Å; Y768-K814 VanDerWaalsContact CZ-NZ 3.29Å; Y768-K814 PolarHBondContact OH-NZ 3.28Å; Y768-E821 PolarHBondContact OH-OE1 2.64Å; Y768-E821 PolarHBondContact OH-OE2 3.04Å |
| 769 | Y | 92.4 | Very high | 78.4 | Confident | 24 Ų | 24 | 72.4 Ų | 72.4 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 154.2 | 179.3 | 69.2 | -72.5 | 0 | 0 | 0 | 112.6 | Q787 L789 L800 L803 Y809 D810 | Y769-Q787 HydrophobicContact CD1-CB 3.91Å; Y769-Q787 WeakPolarHBondContact CD1-O 3.42Å; Y769-Q787 HydrophobicContact CD2-CB 4.38Å; Y769-Q787 HydrophobicContact CE1-CB 3.5Å; Y769-Q787 VanDerWaalsContact CE1-CB 3.5Å; Y769-Q787 HydrophobicContact CE2-CB 4.03Å; Y769-Q787 HydrophobicContact CE2-CG 4.42Å; Y769-Q787 HydrophobicContact CG-CB 4.32Å; Y769-Q787 PolarHBondContact N-O 2.68Å; Y769-Q787 WeakPolarHBondContact O-CB 3.46Å; Y769-Q787 PolarHBondContact O-N 2.81Å; Y769-L789 HydrophobicContact CD1-CD1 4.49Å; Y769-L789 HydrophobicContact CE1-CD1 3.58Å; Y769-L789 HydrophobicContact CE1-CG 3.93Å; Y769-L800 HydrophobicContact CD1-CD2 4.26Å; Y769-L800 HydrophobicContact CE1-CD2 4.36Å; Y769-L803 HydrophobicContact CD2-CD2 3.98Å; Y769-L803 HydrophobicContact CE2-CD2 3.68Å; Y769-Y809 HydrophobicContact CD2-CD1 4.23Å; Y769-Y809 HydrophobicContact CD2-CE1 4.47Å; Y769-D810 CarbonylContact C-O 3.5Å; Y769-D810 WeakPolarHBondContact CA-O 3.46Å |
| 770 | R | 88.3 | Confident | 76.5 | Confident | 91 Ų | 91 | 74.8 Ų | 74.8 | 34% | 0.343 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 151.4 | -180 | 66.4 | -171.5 | -167.5 | 162.9 | 9.5 | 112.1 | V772 Y809 D810 | R770-V772 HydrophobicContact CG-CG1 4.39Å; R770-Y809 WeakPolarHBondContact O-CA 3.01Å; R770-Y809 WeakPolarHBondContact O-CD1 3.26Å; R770-D810 HydrophobicContact CG-CB 4.39Å; R770-D810 PolarHBondContact N-O 3.39Å; R770-D810 PolarHBondContact O-N 2.77Å |
| 771 | R | 87.1 | Confident | 74.7 | Confident | 34 Ų | 34 | 82.6 Ų | 82.6 | 13% | 0.128 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 144.4 | 170.4 | -172.8 | 172.3 | 170.9 | -146.9 | -11.1 | 109 | E780 S807 V808 Y809 | R771-E780 IonicContact CZ-OE2 3.33Å; R771-E780 VanDerWaalsContact CZ-OE2 3.25Å; R771-E780 IonicContact NH1-OE2 3.7Å; R771-E780 PolarHBondContact NH1-OE2 2.82Å; R771-E780 IonicContact NH2-OE2 3.5Å; R771-E780 PolarHBondContact NH2-OE2 2.68Å; R771-S807 PolarHBondContact NE-OG 2.94Å; R771-V808 CarbonylContact C-O 3.46Å; R771-V808 WeakPolarHBondContact CA-O 3.38Å; R771-Y809 HydrophobicContact CB-CD1 4.31Å; R771-Y809 HydrophobicContact CB-CE1 3.85Å |
| 772 | V | 82.8 | Confident | 73 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 145.6 | 173.1 | -65.9 | 0 | 0 | 0 | 0 | 109.2 | R770 G774 V808 D810 | R770-V772 HydrophobicContact CG-CG1 4.39Å; V772-G774 PolarHBondContact O-N 2.9Å; V772-V808 HydrophobicContact CG2-CB 3.83Å; V772-V808 HydrophobicContact CG2-CG1 3.58Å; V772-V808 PolarHBondContact N-O 3.45Å; V772-D810 HydrophobicContact CG1-CB 4.07Å |
| 773 | R | 69.6 | Low | 71.1 | Confident | 151 Ų | 151 | 81.9 Ų | 81.9 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | trans | -60.2 | 125.6 | -178.5 | -88.7 | 176.8 | 173 | 153.6 | -6.8 | 110.8 | E780 A782 | R773-E780 VanDerWaalsContact CZ-O 3.27Å; R773-E780 PolarHBondContact NE-O 3.39Å; R773-E780 PolarHBondContact NH2-O 2.82Å; R773-A782 HydrophobicContact CG-CB 4.33Å | ||
| 774 | G | 58.3 | Low | 69.3 | Low | 19 Ų | 19 | 87.7 Ų | 87.7 | 20% | 0.196 | 41% | 0.411 | C | S | . | . | trans | -70.3 | 161 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V772 Q776 D777 | V772-G774 PolarHBondContact O-N 2.9Å; G774-Q776 PolarHBondContact O-N 2.76Å; G774-D777 WeakPolarHBondContact CA-OD2 3.36Å; G774-D777 PolarHBondContact N-OD2 2.9Å; G774-D777 PolarHBondContact O-N 2.9Å | ||
| 775 | Q | 47.8 | Very low | 67.7 | Low | 210 Ų | 210 | 94.5 Ų | 94.5 | 98% | 0.981 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | 4.7 | 179.9 | -69.6 | -170.4 | -17.5 | 0 | 0 | 114.7 | ||
| 776 | Q | 49.3 | Very low | 66.9 | Low | 162 Ų | 162 | 97.9 Ų | 97.9 | 76% | 0.757 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -3.7 | -177.9 | -61.5 | -172.5 | 2.9 | 0 | 0 | 113.7 | G774 Q778 | G774-Q776 PolarHBondContact O-N 2.76Å; Q776-Q778 PolarHBondContact O-N 3.11Å |
| 777 | D | 49.9 | Very low | 66.4 | Low | 56 Ų | 56 | 97.8 Ų | 97.8 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | trans | -85 | 73.7 | -173.2 | -57.1 | -30.6 | 0 | 0 | 0 | 111.9 | G774 E779 | G774-D777 WeakPolarHBondContact CA-OD2 3.36Å; G774-D777 PolarHBondContact N-OD2 2.9Å; G774-D777 PolarHBondContact O-N 2.9Å; D777-E779 PolarHBondContact O-N 3.43Å | ||
| 778 | Q | 43.8 | Very low | 66.2 | Low | 185 Ų | 185 | 102 Ų | 102 | 86% | 0.864 | 48% | 0.484 | S | S | * | . | trans | -86.4 | 79.6 | 166.8 | -68.9 | -171.6 | 2.5 | 0 | 0 | 110.5 | Q776 | Q776-Q778 PolarHBondContact O-N 3.11Š| ||
| 779 | E | 50.4 | Low | 66.1 | Low | 196 Ų | 196 | 103.5 Ų | 103.5 | 92% | 0.916 | 49% | 0.493 | S | S | * | . | S | Bend | trans | 172.5 | -22.1 | 141.8 | -95.9 | 160.5 | -167.1 | 0 | 0 | 113.7 | D777 | D777-E779 PolarHBondContact O-N 3.43Š|
| 780 | E | 50.8 | Low | 66.1 | Low | 108 Ų | 108 | 105.8 Ų | 105.8 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 139.9 | 179.2 | -70.2 | -173.6 | 175.1 | 0 | 0 | 113.7 | R771 R773 | R771-E780 IonicContact CZ-OE2 3.33Å; R771-E780 VanDerWaalsContact CZ-OE2 3.25Å; R771-E780 IonicContact NH1-OE2 3.7Å; R771-E780 PolarHBondContact NH1-OE2 2.82Å; R771-E780 IonicContact NH2-OE2 3.5Å; R771-E780 PolarHBondContact NH2-OE2 2.68Å; R773-E780 VanDerWaalsContact CZ-O 3.27Å; R773-E780 PolarHBondContact NE-O 3.39Å; R773-E780 PolarHBondContact NH2-O 2.82Å |
| 781 | E | 51.2 | Low | 66.2 | Low | 172 Ų | 172 | 102.7 Ų | 102.7 | 80% | 0.804 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 142.6 | 163 | -67.1 | -169.3 | 133 | 0 | 0 | 110.5 | ||
| 782 | A | 53.9 | Low | 66.4 | Low | 41 Ų | 41 | 105.3 Ų | 105.3 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 141.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R773 E784 | R773-A782 HydrophobicContact CG-CB 4.33Å; A782-E784 PolarHBondContact O-N 3.31Å |
| 783 | D | 53.9 | Low | 66.6 | Low | 79 Ų | 79 | 105.2 Ų | 105.2 | 42% | 0.422 | 53% | 0.527 | S | S | . | . | trans | -61.5 | 108.9 | 167.4 | -175.7 | 1.8 | 0 | 0 | 0 | 109.1 | Q785 | D783-Q785 PolarHBondContact O-N 2.99Å; D783-Q785 WeakPolarHBondContact OD1-CB 3.41Å; D783-Q785 PolarHBondContact OD1-N 2.97Å | ||
| 784 | E | 55 | Low | 67.5 | Low | 188 Ų | 188 | 102.4 Ų | 102.4 | 88% | 0.879 | 52% | 0.523 | S | S | * | . | trans | -73.3 | -12.5 | -179.8 | -62.4 | -157.7 | 136.5 | 0 | 0 | 112.4 | A782 | A782-E784 PolarHBondContact O-N 3.31Š| ||
| 785 | Q | 60.1 | Low | 68.8 | Low | 143 Ų | 143 | 107.8 Ų | 107.8 | 67% | 0.668 | 54% | 0.537 | S | S | * | . | trans | -90.8 | 110.6 | -169.8 | -161.7 | 159.9 | 8.8 | 0 | 0 | 112.5 | D783 Q787 | D783-Q785 PolarHBondContact O-N 2.99Å; D783-Q785 WeakPolarHBondContact OD1-CB 3.41Å; D783-Q785 PolarHBondContact OD1-N 2.97Å; Q785-Q787 PolarHBondContact O-N 2.85Å; Q785-Q787 PolarHBondContact O-NE2 3.06Å | ||
| 786 | E | 77.7 | Confident | 70.8 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 34% | 0.336 | 51% | 0.508 | S | S | . | . | trans | -71 | 119.7 | 178.6 | -168.2 | 167.2 | -99.9 | 0 | 0 | 111.3 | Y768 F812 | Y768-E786 HydrophobicContact CD1-CG 4.15Å; Y768-E786 WeakPolarHBondContact CD1-OE2 3.25Å; E786-F812 WeakPolarHBondContact OE1-CE1 3.31Å | ||
| 787 | Q | 85.4 | Confident | 72.8 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 36% | 0.36 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 142 | -177.2 | -57.5 | -61.1 | -28.3 | 0 | 0 | 110.7 | Y768 Y769 Q785 | Y768-Q787 CarbonylContact C-O 3.45Å; Y768-Q787 WeakPolarHBondContact CA-O 3.4Å; Y769-Q787 HydrophobicContact CD1-CB 3.91Å; Y769-Q787 WeakPolarHBondContact CD1-O 3.42Å; Y769-Q787 HydrophobicContact CD2-CB 4.38Å; Y769-Q787 HydrophobicContact CE1-CB 3.5Å; Y769-Q787 VanDerWaalsContact CE1-CB 3.5Å; Y769-Q787 HydrophobicContact CE2-CB 4.03Å; Y769-Q787 HydrophobicContact CE2-CG 4.42Å; Y769-Q787 HydrophobicContact CG-CB 4.32Å; Y769-Q787 PolarHBondContact N-O 2.68Å; Y769-Q787 WeakPolarHBondContact O-CB 3.46Å; Y769-Q787 PolarHBondContact O-N 2.81Å; Q785-Q787 PolarHBondContact O-N 2.85Å; Q785-Q787 PolarHBondContact O-NE2 3.06Å |
| 788 | I | 90.3 | Very high | 74.6 | Confident | 89 Ų | 89 | 95.1 Ų | 95.1 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 122.8 | -172.9 | -45.9 | 176.8 | 0 | 0 | 0 | 110.6 | R766 V767 Y768 | R766-I788 HydrophobicContact CB-CG2 4.43Å; V767-I788 WeakPolarHBondContact O-CA 3.34Å; Y768-I788 HydrophobicContact CD1-CD1 4.1Å; Y768-I788 HydrophobicContact CD1-CG1 3.77Å; Y768-I788 HydrophobicContact CD1-CG2 4.46Å; Y768-I788 HydrophobicContact CE1-CD1 3.51Å; Y768-I788 HydrophobicContact CE1-CG1 3.68Å; Y768-I788 HydrophobicContact CE1-CG2 4.15Å; Y768-I788 HydrophobicContact CE2-CG2 4.43Å |
| 789 | L | 89.9 | Confident | 76.6 | Confident | 47 Ų | 47 | 90.4 Ų | 90.4 | 25% | 0.246 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 132.8 | 172.7 | -72.4 | 165.4 | 0 | 0 | 0 | 110.4 | R766 V767 Y769 F791 L800 | R766-L789 CarbonylContact C-O 3.59Å; R766-L789 WeakPolarHBondContact CA-O 3.22Å; V767-L789 PolarHBondContact N-O 2.99Å; V767-L789 PolarHBondContact O-N 2.82Å; Y769-L789 HydrophobicContact CD1-CD1 4.49Å; Y769-L789 HydrophobicContact CE1-CD1 3.58Å; Y769-L789 HydrophobicContact CE1-CG 3.93Å; L789-F791 HydrophobicContact CB-CE2 3.78Å; L789-F791 HydrophobicContact CB-CZ 4.11Å; L789-L800 HydrophobicContact CD1-CD2 3.64Å |
| 790 | T | 92.4 | Very high | 78.4 | Confident | 71 Ų | 71 | 81 Ų | 81 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.3 | -176.4 | -57.9 | 0 | 0 | 0 | 0 | 111 | R766 F816 | R766-T790 HydrophobicContact CG-CG2 4.18Å; T790-F816 HydrophobicContact CG2-CE1 3.74Å; T790-F816 HydrophobicContact CG2-CZ 3.7Å |
| 791 | F | 90.8 | Very high | 80 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 100.4 | -176.6 | -64.5 | -80.6 | 0 | 0 | 0 | 109.5 | W750 G764 Y765 V767 L789 R795 G798 | W750-F791 HydrophobicContact CH2-CB 4.23Å; W750-F791 AromaticContact CH2-CD2 3.94Å; W750-F791 HydrophobicContact CH2-CD2 3.94Å; W750-F791 HydrophobicContact CH2-CG 4.01Å; W750-F791 HydrophobicContact CZ2-CB 4.43Å; G764-F791 WeakPolarHBondContact CA-O 3.41Å; Y765-F791 PolarHBondContact N-O 3.18Å; Y765-F791 PolarHBondContact O-N 3.29Å; V767-F791 HydrophobicContact CB-CE2 4.2Å; V767-F791 HydrophobicContact CG2-CD2 3.91Å; V767-F791 HydrophobicContact CG2-CE2 3.64Å; L789-F791 HydrophobicContact CB-CE2 3.78Å; L789-F791 HydrophobicContact CB-CZ 4.11Å; F791-R795 HydrophobicContact CB-CB 4.44Å; F791-G798 VanDerWaalsContact CE1-CA 3.46Å |
| 792 | S | 90.4 | Very high | 81.4 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 62% | 0.615 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 148.3 | -174.7 | -44 | 0 | 0 | 0 | 0 | 113.5 | Q763 | Q763-S792 WeakPolarHBondContact O-CA 3.29Å |
| 793 | G | 87.9 | Confident | 82.9 | Confident | 28 Ų | 28 | 72.7 Ų | 72.7 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 68.5 | -166.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q763 R795 | Q763-G793 PolarHBondContact O-N 2.91Å; G793-R795 PolarHBondContact O-N 2.9Å |
| 794 | N | 87.6 | Confident | 84.3 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 50% | 0.497 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -80.9 | 53.5 | -173 | -158.2 | 21.9 | 0 | 0 | 0 | 114.4 | L762 Y765 | L762-N794 HydrophobicContact CD2-CB 3.69Å; Y765-N794 PolarHBondContact OH-OD1 2.84Å |
| 795 | R | 86.4 | Confident | 85.8 | Confident | 132 Ų | 132 | 65.6 Ų | 65.6 | 50% | 0.498 | 37% | 0.365 | S | S | . | . | trans | -74.1 | 149.4 | 174.5 | -76.2 | 175.4 | 170.3 | -101.2 | 6.7 | 111.8 | W750 Y765 F791 G793 | W750-R795 VanDerWaalsContact CE2-O 3.32Å; W750-R795 HydrophobicContact CZ2-CB 4.16Å; W750-R795 WeakPolarHBondContact CZ2-O 3.42Å; W750-R795 PolarHBondContact NE1-O 2.93Å; Y765-R795 VanDerWaalsContact CD2-O 3.31Å; Y765-R795 WeakPolarHBondContact CD2-O 3.21Å; Y765-R795 WeakPolarHBondContact CE2-O 3.19Å; F791-R795 HydrophobicContact CB-CB 4.44Å; G793-R795 PolarHBondContact O-N 2.9Å | ||
| 796 | S | 89.7 | Confident | 87.1 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | trans | -116.4 | 2.4 | 174.4 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | Q749 W750 | Q749-S796 CarbonylContact C-O 3.54Å; Q749-S796 WeakPolarHBondContact CA-O 3.39Å; W750-S796 PolarHBondContact N-O 3.01Å; W750-S796 WeakPolarHBondContact O-CB 3.35Å | ||
| 797 | E | 91.8 | Very high | 87.4 | Confident | 103 Ų | 103 | 61 Ų | 61 | 48% | 0.481 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 154.9 | -172.5 | 64.4 | -173.9 | -149.8 | 0 | 0 | 112.4 | V748 Q749 W750 | V748-E797 CarbonylContact O-C 3.56Å; V748-E797 VanDerWaalsContact O-CA 3.32Å; V748-E797 WeakPolarHBondContact O-CA 3.48Å; Q749-E797 HydrophobicContact CG-CB 4.12Å; W750-E797 VanDerWaalsContact CH2-C 3.47Å; W750-E797 WeakPolarHBondContact CH2-O 3.45Å; W750-E797 VanDerWaalsContact CZ3-C 3.44Å |
| 798 | G | 86.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 163.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V748 F791 | V748-G798 WeakPolarHBondContact CG1-O 3.33Å; V748-G798 PolarHBondContact N-O 2.83Å; V748-G798 PolarHBondContact O-N 2.86Å; F791-G798 VanDerWaalsContact CE1-CA 3.46Å |
| 799 | M | 87.6 | Confident | 87.6 | Confident | 85 Ų | 85 | 54.8 Ų | 54.8 | 42% | 0.419 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 146.1 | 178 | -57.7 | -59.2 | -70.3 | 0 | 0 | 110.8 | L745 E747 P801 | L745-M799 HydrophobicContact CD1-CB 4.35Å; L745-M799 HydrophobicContact CD1-CE 3.9Å; L745-M799 HydrophobicContact CD2-CE 3.71Å; L745-M799 HydrophobicContact CG-CE 3.74Å; E747-M799 HydrophobicContact CB-CE 4.1Å; E747-M799 HydrophobicContact CB-SD 3.73Å; E747-M799 HydrophobicContact CG-SD 3.95Å; M799-P801 WeakPolarHBondContact O-CD 3.24Å |
| 800 | L | 87.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 87 | 178.9 | -51.3 | 179.1 | 0 | 0 | 0 | 108.6 | A746 V748 V767 Y769 L789 L811 F830 | A746-L800 HydrophobicContact CB-CB 4.27Å; A746-L800 HydrophobicContact CB-CD1 4.29Å; A746-L800 PolarHBondContact N-O 3.47Å; A746-L800 VanDerWaalsContact N-O 3.1Å; A746-L800 PolarHBondContact O-N 3.15Å; V748-L800 HydrophobicContact CB-CD1 4.23Å; V748-L800 HydrophobicContact CG1-CD1 4.03Å; V748-L800 HydrophobicContact CG1-CD2 3.87Å; V748-L800 HydrophobicContact CG1-CG 3.88Å; V767-L800 HydrophobicContact CB-CD2 4.49Å; V767-L800 HydrophobicContact CG1-CD2 3.99Å; Y769-L800 HydrophobicContact CD1-CD2 4.26Å; Y769-L800 HydrophobicContact CE1-CD2 4.36Å; L789-L800 HydrophobicContact CD1-CD2 3.64Å; L800-L811 HydrophobicContact CD1-CD2 3.41Å; L800-L811 VanDerWaalsContact CD1-CD2 3.41Å; L800-F830 HydrophobicContact CD1-CZ 4.29Å |
| 801 | P | 84.9 | Confident | 87.8 | Confident | 70 Ų | 70 | 50.5 Ų | 50.5 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -79.5 | 168.1 | 178.3 | 34.4 | -36.4 | 0 | 0 | 0 | 111.9 | L745 M799 L803 | L745-P801 HydrophobicContact CD1-CB 4.17Å; M799-P801 WeakPolarHBondContact O-CD 3.24Å; P801-L803 PolarHBondContact O-N 2.81Å | ||
| 802 | G | 80 | Confident | 88 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 73% | 0.732 | 28% | 0.284 | S | S | * | . | S | Bend | trans | 75.9 | 19.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T744 | T744-G802 PolarHBondContact O-N 3.35Š|
| 803 | L | 85.6 | Confident | 88.2 | Confident | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 149.5 | 175 | -50.8 | -179.9 | 0 | 0 | 0 | 110.7 | T744 A746 Y769 P801 Y809 F830 T832 | T744-L803 VanDerWaalsContact CA-O 3.26Å; T744-L803 WeakPolarHBondContact CA-O 3.18Å; T744-L803 WeakPolarHBondContact CB-O 3.43Å; T744-L803 WeakPolarHBondContact CG2-O 3.42Å; T744-L803 PolarHBondContact O-N 3.04Å; A746-L803 HydrophobicContact CB-CD1 3.66Å; Y769-L803 HydrophobicContact CD2-CD2 3.98Å; Y769-L803 HydrophobicContact CE2-CD2 3.68Å; P801-L803 PolarHBondContact O-N 2.81Å; L803-Y809 HydrophobicContact CB-CE2 3.99Å; L803-Y809 HydrophobicContact CD2-CD1 4.05Å; L803-Y809 HydrophobicContact CD2-CD2 4.45Å; L803-Y809 HydrophobicContact CD2-CE1 3.77Å; L803-Y809 HydrophobicContact CD2-CE2 4.19Å; L803-Y809 HydrophobicContact CD2-CG 4.4Å; L803-F830 HydrophobicContact CD1-CE2 3.73Å; L803-F830 HydrophobicContact CD1-CZ 3.96Å; L803-T832 HydrophobicContact CB-CG2 3.9Å; L803-T832 HydrophobicContact CD1-CG2 3.86Å |
| 804 | Q | 83.5 | Confident | 88.5 | Confident | 94 Ų | 94 | 46.4 Ų | 46.4 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -81 | 139.5 | 173 | -69.6 | 179.8 | -30.9 | 0 | 0 | 110 | S743 S807 Y809 T832 | S743-Q804 CarbonylContact O-C 3.58Å; Q804-S807 WeakPolarHBondContact O-CB 3.28Å; Q804-Y809 PolarHBondContact N-OH 2.91Å; Q804-T832 PolarHBondContact O-OG1 3.14Å |
| 805 | P | 86.1 | Confident | 88.9 | Confident | 23 Ų | 23 | 42 Ų | 42 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 153 | 171.4 | -26.9 | 36.9 | 0 | 0 | 0 | 113.1 | S743 T744 S807 N864 | S743-P805 VanDerWaalsContact O-CA 3.3Å; S743-P805 WeakPolarHBondContact O-CA 3.41Å; T744-P805 HydrophobicContact CG2-CG 4.07Å; P805-S807 PolarHBondContact O-N 3.33Å; P805-S807 VanDerWaalsContact O-N 3.17Å; P805-S807 PolarHBondContact O-OG 2.79Å; P805-N864 HydrophobicContact CB-CB 3.85Å; P805-N864 HydrophobicContact CG-CB 4.03Å |
| 806 | Y | 86.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 37 Ų | 37 | 44% | 0.443 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.4 | 173.8 | -159.1 | -121.7 | 0 | 0 | 0 | 114.6 | T832 P833 E834 | Y806-T832 WeakPolarHBondContact CA-O 3.23Å; Y806-T832 PolarHBondContact N-O 3.34Å; Y806-T832 PolarHBondContact N-OG1 2.81Å; Y806-T832 VanDerWaalsContact N-OG1 3.07Å; Y806-P833 PolarHBondContact N-O 3.28Å; Y806-E834 HydrophobicContact CD2-CB 4.46Å; Y806-E834 HydrophobicContact CD2-CG 3.52Å; Y806-E834 HydrophobicContact CE2-CG 3.82Å; Y806-E834 HydrophobicContact CG-CG 4.22Å |
| 807 | S | 84.8 | Confident | 89.5 | Confident | 6 Ų | 6 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | trans | -130.4 | 149 | -171.2 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | R771 Q804 P805 E831 T832 | R771-S807 PolarHBondContact NE-OG 2.94Å; Q804-S807 WeakPolarHBondContact O-CB 3.28Å; P805-S807 PolarHBondContact O-N 3.33Å; P805-S807 VanDerWaalsContact O-N 3.17Å; P805-S807 PolarHBondContact O-OG 2.79Å; S807-E831 WeakPolarHBondContact O-CA 3.46Å; S807-T832 PolarHBondContact N-OG1 3.22Å; S807-T832 PolarHBondContact O-N 3.45Å; S807-T832 PolarHBondContact O-OG1 2.97Å | ||
| 808 | V | 89.2 | Confident | 89.4 | Confident | 22 Ų | 22 | 33.9 Ų | 33.9 | 13% | 0.133 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 139 | 179.6 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | R771 V772 T829 E831 | R771-V808 CarbonylContact C-O 3.46Å; R771-V808 WeakPolarHBondContact CA-O 3.38Å; V772-V808 HydrophobicContact CG2-CB 3.83Å; V772-V808 HydrophobicContact CG2-CG1 3.58Å; V772-V808 PolarHBondContact N-O 3.45Å; V808-T829 HydrophobicContact CG1-CG2 3.73Å; V808-E831 HydrophobicContact CG1-CG 4.23Å; V808-E831 HydrophobicContact CG2-CG 4.11Å |
| 809 | Y | 90.7 | Very high | 89.6 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 140.2 | -179.1 | -77.4 | -93.4 | 0 | 0 | 0 | 112 | Y769 R770 R771 L803 Q804 T829 F830 T832 | Y769-Y809 HydrophobicContact CD2-CD1 4.23Å; Y769-Y809 HydrophobicContact CD2-CE1 4.47Å; R770-Y809 WeakPolarHBondContact O-CA 3.01Å; R770-Y809 WeakPolarHBondContact O-CD1 3.26Å; R771-Y809 HydrophobicContact CB-CD1 4.31Å; R771-Y809 HydrophobicContact CB-CE1 3.85Å; L803-Y809 HydrophobicContact CB-CE2 3.99Å; L803-Y809 HydrophobicContact CD2-CD1 4.05Å; L803-Y809 HydrophobicContact CD2-CD2 4.45Å; L803-Y809 HydrophobicContact CD2-CE1 3.77Å; L803-Y809 HydrophobicContact CD2-CE2 4.19Å; L803-Y809 HydrophobicContact CD2-CG 4.4Å; Q804-Y809 PolarHBondContact N-OH 2.91Å; Y809-T829 CarbonylContact O-C 3.58Å; Y809-T829 VanDerWaalsContact O-CA 3.25Å; Y809-T829 WeakPolarHBondContact O-CA 3.14Å; Y809-T829 WeakPolarHBondContact O-CG2 3.44Å; Y809-F830 VanDerWaalsContact CB-CE1 3.48Å; Y809-F830 VanDerWaalsContact CB-CZ 3.49Å; Y809-F830 HydrophobicContact CD2-CE2 4.48Å; Y809-F830 HydrophobicContact CG-CE1 4.49Å; Y809-F830 HydrophobicContact CG-CE2 4.46Å; Y809-F830 HydrophobicContact CG-CZ 4.07Å; Y809-F830 PolarHBondContact N-O 2.83Å; Y809-F830 PolarHBondContact O-N 2.98Å; Y809-T832 HydrophobicContact CD2-CG2 4.24Å; Y809-T832 HydrophobicContact CE2-CG2 4.21Å |
| 810 | D | 91.8 | Very high | 89.8 | Confident | 27 Ų | 27 | 34.5 Ų | 34.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 140.1 | 166.6 | -102.3 | -1.3 | 0 | 0 | 0 | 109.2 | Y769 R770 V772 T829 | Y769-D810 CarbonylContact C-O 3.5Å; Y769-D810 WeakPolarHBondContact CA-O 3.46Å; R770-D810 HydrophobicContact CG-CB 4.39Å; R770-D810 PolarHBondContact N-O 3.39Å; R770-D810 PolarHBondContact O-N 2.77Å; V772-D810 HydrophobicContact CG1-CB 4.07Å; D810-T829 WeakPolarHBondContact OD1-CB 3.47Å; D810-T829 PolarHBondContact OD1-OG1 2.82Å |
| 811 | L | 94.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 162.8 | 166.3 | 73.7 | 72 | 0 | 0 | 0 | 115 | V736 V738 V748 V767 Y768 L800 I813 K827 K828 F830 | V736-L811 HydrophobicContact CG1-CD1 3.69Å; V738-L811 HydrophobicContact CG2-CD1 4.44Å; V738-L811 HydrophobicContact CG2-CD2 3.77Å; V738-L811 HydrophobicContact CG2-CG 4.27Å; V748-L811 HydrophobicContact CB-CD2 4.21Å; V748-L811 HydrophobicContact CG2-CD1 4.18Å; V748-L811 HydrophobicContact CG2-CD2 3.96Å; V767-L811 HydrophobicContact CG1-CB 4.49Å; V767-L811 HydrophobicContact CG1-CD2 4.28Å; Y768-L811 CarbonylContact O-C 3.4Å; Y768-L811 WeakPolarHBondContact O-CA 3.47Å; Y768-L811 VanDerWaalsContact O-CB 3.22Å; Y768-L811 WeakPolarHBondContact O-CB 3.24Å; L800-L811 HydrophobicContact CD1-CD2 3.41Å; L800-L811 VanDerWaalsContact CD1-CD2 3.41Å; L811-I813 HydrophobicContact CD1-CG1 4.44Å; L811-K827 CarbonylContact O-C 3.55Å; L811-K827 VanDerWaalsContact O-CA 3.29Å; L811-K827 WeakPolarHBondContact O-CA 3.29Å; L811-K828 HydrophobicContact CD1-CB 3.97Å; L811-K828 HydrophobicContact CG-CB 4.35Å; L811-K828 PolarHBondContact N-O 2.81Å; L811-K828 PolarHBondContact O-N 3.24Å; L811-F830 HydrophobicContact CD2-CE1 3.94Å; L811-F830 HydrophobicContact CG-CE1 4.38Å |
| 812 | F | 94.3 | Very high | 90.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 166.6 | 164.6 | 60.8 | -88.8 | 0 | 0 | 0 | 111 | Y768 E786 P824 K827 | Y768-F812 HydrophobicContact CD1-CE2 4.16Å; Y768-F812 AromaticContact CD1-CZ 3.93Å; Y768-F812 HydrophobicContact CD1-CZ 3.93Å; Y768-F812 HydrophobicContact CD2-CD2 4.06Å; Y768-F812 AromaticContact CD2-CE2 3.49Å; Y768-F812 HydrophobicContact CD2-CE2 3.49Å; Y768-F812 VanDerWaalsContact CD2-CE2 3.49Å; Y768-F812 HydrophobicContact CD2-CZ 4.07Å; Y768-F812 HydrophobicContact CE2-CE2 4.23Å; Y768-F812 HydrophobicContact CG-CD2 4.22Å; Y768-F812 HydrophobicContact CG-CE1 4.33Å; Y768-F812 AromaticContact CG-CE2 3.45Å; Y768-F812 HydrophobicContact CG-CE2 3.45Å; Y768-F812 VanDerWaalsContact CG-CE2 3.45Å; Y768-F812 AromaticContact CG-CZ 3.52Å; Y768-F812 HydrophobicContact CG-CZ 3.52Å; Y768-F812 PolarHBondContact N-O 3.37Å; Y768-F812 PolarHBondContact O-N 2.91Å; E786-F812 WeakPolarHBondContact OE1-CE1 3.31Å; F812-P824 HydrophobicContact CD2-CB 3.53Å; F812-P824 HydrophobicContact CE2-CB 4.02Å; F812-P824 HydrophobicContact CG-CB 4.28Å; F812-K827 HydrophobicContact CB-CG 4.28Å; F812-K827 HydrophobicContact CD1-CG 4.22Å |
| 813 | I | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 139.6 | -173.6 | -41.8 | -174.9 | 0 | 0 | 0 | 110.5 | P733 V736 V748 W750 R766 V767 L811 P824 S825 | P733-I813 HydrophobicContact CB-CB 4.44Å; P733-I813 HydrophobicContact CB-CG2 4.44Å; P733-I813 HydrophobicContact CG-CB 4.18Å; P733-I813 HydrophobicContact CG-CG2 3.98Å; V736-I813 HydrophobicContact CG1-CD1 3.94Å; V736-I813 HydrophobicContact CG1-CG1 4.37Å; V736-I813 HydrophobicContact CG2-CD1 3.88Å; V736-I813 HydrophobicContact CG2-CG1 4.17Å; V748-I813 HydrophobicContact CG2-CD1 3.88Å; W750-I813 HydrophobicContact CB-CD1 3.8Å; W750-I813 HydrophobicContact CD2-CD1 3.72Å; W750-I813 HydrophobicContact CE3-CD1 3.49Å; W750-I813 VanDerWaalsContact CE3-CD1 3.49Å; W750-I813 HydrophobicContact CG-CD1 3.89Å; W750-I813 HydrophobicContact CZ3-CD1 4.29Å; R766-I813 CarbonylContact O-C 3.57Å; R766-I813 WeakPolarHBondContact O-CA 2.98Å; R766-I813 WeakPolarHBondContact O-CG2 3.33Å; V767-I813 HydrophobicContact CG1-CG1 4.36Å; V767-I813 HydrophobicContact CG2-CD1 4.11Å; V767-I813 HydrophobicContact CG2-CG1 4.05Å; V767-I813 HydrophobicContact CG2-CG2 4.04Å; L811-I813 HydrophobicContact CD1-CG1 4.44Å; I813-P824 CarbonylContact O-C 3.59Å; I813-P824 WeakPolarHBondContact O-CA 2.92Å; I813-S825 PolarHBondContact N-OG 3.16Å; I813-S825 PolarHBondContact O-N 2.66Å |
| 814 | K | 95.1 | Very high | 91.6 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 15% | 0.152 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 149.6 | 168.3 | -60.1 | 176.7 | -168.6 | 149.9 | 0 | 110.1 | Y765 R766 Y768 E821 P824 | Y765-K814 CarbonylContact C-O 3.58Å; Y765-K814 VanDerWaalsContact CA-O 3.27Å; Y765-K814 WeakPolarHBondContact CA-O 3.45Å; R766-K814 PolarHBondContact N-O 2.87Å; R766-K814 PolarHBondContact O-N 2.99Å; Y768-K814 HydrophobicContact CE2-CD 3.79Å; Y768-K814 HydrophobicContact CE2-CG 4.13Å; Y768-K814 VanDerWaalsContact CZ-NZ 3.29Å; Y768-K814 PolarHBondContact OH-NZ 3.28Å; K814-E821 HydrophobicContact CD-CB 3.88Å; K814-E821 HydrophobicContact CD-CG 4.3Å; K814-E821 WeakPolarHBondContact CD-OE2 3.34Å; K814-E821 WeakPolarHBondContact CE-OE2 3.29Å; K814-E821 IonicContact NZ-OE2 3.7Å; K814-E821 PolarHBondContact NZ-OE2 3.36Å; K814-P824 HydrophobicContact CG-CB 4.14Å |
| 815 | V | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 152.7 | 161.3 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | P729 S731 V753 L762 G764 Y765 E821 G822 | P729-V815 HydrophobicContact CB-CG1 3.5Å; P729-V815 HydrophobicContact CB-CG2 4.45Å; P729-V815 HydrophobicContact CG-CG1 3.97Å; P729-V815 HydrophobicContact CG-CG2 4.24Å; S731-V815 VanDerWaalsContact O-CG1 3.31Å; S731-V815 WeakPolarHBondContact O-CG1 3.36Å; V753-V815 HydrophobicContact CG1-CB 4.33Å; V753-V815 HydrophobicContact CG1-CG1 3.96Å; V753-V815 HydrophobicContact CG2-CB 4.21Å; V753-V815 HydrophobicContact CG2-CG1 4.19Å; V753-V815 HydrophobicContact CG2-CG2 3.83Å; L762-V815 HydrophobicContact CD1-CG2 3.5Å; L762-V815 VanDerWaalsContact CD1-CG2 3.5Å; G764-V815 CarbonylContact O-C 3.55Å; G764-V815 WeakPolarHBondContact O-CA 3.37Å; Y765-V815 HydrophobicContact CD1-CB 3.84Å; Y765-V815 HydrophobicContact CD1-CG2 4.3Å; Y765-V815 HydrophobicContact CE1-CB 3.77Å; Y765-V815 HydrophobicContact CE1-CG2 4.01Å; V815-E821 WeakPolarHBondContact O-CA 3.38Å; V815-G822 PolarHBondContact O-N 2.79Å |
| 816 | F | 94.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 36 Ų | 36 | 11% | 0.114 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.5 | 173.6 | 74.8 | -78.9 | 0 | 0 | 0 | 113.7 | Q763 G764 R766 T790 G820 E821 | Q763-F816 HydrophobicContact CB-CD2 3.71Å; Q763-F816 HydrophobicContact CB-CE2 3.42Å; Q763-F816 VanDerWaalsContact CB-CE2 3.42Å; Q763-F816 HydrophobicContact CB-CZ 4.04Å; Q763-F816 PolarHBondContact N-O 3.4Å; G764-F816 VanDerWaalsContact C-CD1 3.43Å; G764-F816 PolarHBondContact N-O 3.19Å; G764-F816 VanDerWaalsContact O-CD1 3.23Å; G764-F816 WeakPolarHBondContact O-CD1 3.42Å; G764-F816 PolarHBondContact O-N 2.68Å; R766-F816 HydrophobicContact CG-CD1 3.86Å; R766-F816 HydrophobicContact CG-CE1 3.9Å; T790-F816 HydrophobicContact CG2-CE1 3.74Å; T790-F816 HydrophobicContact CG2-CZ 3.7Å; F816-G820 VanDerWaalsContact CA-O 3.27Å; F816-G820 WeakPolarHBondContact CA-O 3.4Å; F816-G820 WeakPolarHBondContact CB-O 3.34Å; F816-E821 HydrophobicContact CB-CB 4.47Å; F816-E821 HydrophobicContact CB-CG 4.04Å |
| 817 | N | 93.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | -167.8 | 174.2 | 67 | 17.4 | 0 | 0 | 0 | 110.6 | D727 P729 V758 E761 K819 G820 | D727-N817 PolarHBondContact O-ND2 3.25Å; P729-N817 WeakPolarHBondContact CD-ND2 3.19Å; P729-N817 HydrophobicContact CG-CB 4.45Å; V758-N817 HydrophobicContact CG1-CB 4.41Å; V758-N817 PolarHBondContact O-ND2 3.08Å; E761-N817 VanDerWaalsContact O-CA 3.26Å; E761-N817 WeakPolarHBondContact O-CA 3.47Å; E761-N817 WeakPolarHBondContact O-CB 3.27Å; N817-K819 PolarHBondContact O-N 2.8Å; N817-K819 WeakPolarHBondContact OD1-CA 3.15Å; N817-K819 WeakPolarHBondContact OD1-CB 3.4Å; N817-K819 PolarHBondContact OD1-N 3.05Å; N817-G820 PolarHBondContact N-O 2.97Å; N817-G820 PolarHBondContact O-N 2.85Å; N817-G820 PolarHBondContact OD1-N 2.63Å; N817-G820 PolarHBondContact OD1-O 2.98Å |
| 818 | N | 91.1 | Very high | 93 | Very high | 85 Ų | 85 | 39.8 Ų | 39.8 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -19.9 | -178 | -60.4 | -34.6 | 0 | 0 | 0 | 113.8 | E726 E761 Q763 | E726-N818 WeakPolarHBondContact OE1-CB 3.28Å; E726-N818 PolarHBondContact OE1-ND2 2.94Å; E761-N818 WeakPolarHBondContact CB-ND2 3.41Å; E761-N818 PolarHBondContact OE2-ND2 2.67Å; Q763-N818 VanDerWaalsContact CD-OD1 3.31Å; Q763-N818 VanDerWaalsContact CG-OD1 3.25Å; Q763-N818 WeakPolarHBondContact CG-OD1 3.5Å; Q763-N818 PolarHBondContact NE2-OD1 3.3Å |
| 819 | K | 90.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 42.4 Ų | 42.4 | 37% | 0.365 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.4 | 173.7 | -58.5 | -81.8 | 177.5 | 161.5 | 0 | 112.9 | T642 E726 K728 N817 | T642-K819 PolarHBondContact O-NZ 3.49Å; E726-K819 HydrophobicContact CB-CD 4.22Å; E726-K819 HydrophobicContact CB-CG 3.45Å; E726-K819 VanDerWaalsContact CB-CG 3.45Å; E726-K819 WeakPolarHBondContact O-CE 3.33Å; K728-K819 WeakPolarHBondContact CE-O 3.33Å; K728-K819 HydrophobicContact CG-CB 4.34Å; N817-K819 PolarHBondContact O-N 2.8Å; N817-K819 WeakPolarHBondContact OD1-CA 3.15Å; N817-K819 WeakPolarHBondContact OD1-CB 3.4Å; N817-K819 PolarHBondContact OD1-N 3.05Å |
| 820 | G | 90.6 | Very high | 93.2 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 24% | 0.237 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.1 | -153.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P729 F816 N817 | P729-G820 WeakPolarHBondContact CD-O 3.49Å; F816-G820 VanDerWaalsContact CA-O 3.27Å; F816-G820 WeakPolarHBondContact CA-O 3.4Å; F816-G820 WeakPolarHBondContact CB-O 3.34Å; N817-G820 PolarHBondContact N-O 2.97Å; N817-G820 PolarHBondContact O-N 2.85Å; N817-G820 PolarHBondContact OD1-N 2.63Å; N817-G820 PolarHBondContact OD1-O 2.98Å |
| 821 | E | 94.2 | Very high | 93.1 | Very high | 49 Ų | 49 | 48 Ų | 48 | 23% | 0.229 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141 | -167.3 | -55.1 | 176.1 | 168.3 | 0 | 0 | 113.1 | R766 Y768 K814 V815 F816 | R766-E821 VanDerWaalsContact CD-OE1 3.22Å; R766-E821 WeakPolarHBondContact CD-OE1 3.38Å; R766-E821 IonicContact CZ-OE1 3.18Å; R766-E821 IonicContact NE-OE1 3.67Å; R766-E821 IonicContact NH1-OE1 3.47Å; R766-E821 PolarHBondContact NH1-OE1 2.82Å; Y768-E821 PolarHBondContact OH-OE1 2.64Å; Y768-E821 PolarHBondContact OH-OE2 3.04Å; K814-E821 HydrophobicContact CD-CB 3.88Å; K814-E821 HydrophobicContact CD-CG 4.3Å; K814-E821 WeakPolarHBondContact CD-OE2 3.34Å; K814-E821 WeakPolarHBondContact CE-OE2 3.29Å; K814-E821 IonicContact NZ-OE2 3.7Å; K814-E821 PolarHBondContact NZ-OE2 3.36Å; V815-E821 WeakPolarHBondContact O-CA 3.38Å; F816-E821 HydrophobicContact CB-CB 4.47Å; F816-E821 HydrophobicContact CB-CG 4.04Å |
| 822 | G | 93.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | trans | -81.7 | -173.4 | 167 | 0 | 0 | 0 | 0 | 0 | 113 | P729 V815 | P729-G822 VanDerWaalsContact O-CA 3.27Å; P729-G822 WeakPolarHBondContact O-CA 3.15Å; V815-G822 PolarHBondContact O-N 2.79Å | ||
| 823 | P | 94.8 | Very high | 92.6 | Very high | 54 Ų | 54 | 49.1 Ų | 49.1 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 151 | -179.6 | 27.1 | -33.2 | 0 | 0 | 0 | 112.4 | P729 A732 | P729-P823 VanDerWaalsContact O-CD 3.23Å; P729-P823 WeakPolarHBondContact O-CD 3.43Å; A732-P823 HydrophobicContact CB-CB 4.49Å; A732-P823 HydrophobicContact CB-CG 4.19Å; A732-P823 WeakPolarHBondContact CB-O 3.33Å |
| 824 | P | 94.6 | Very high | 92.2 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 147.2 | 176.6 | 31.8 | -35.2 | 0 | 0 | 0 | 112.1 | A732 F812 I813 K814 | A732-P824 WeakPolarHBondContact CB-O 3.06Å; F812-P824 HydrophobicContact CD2-CB 3.53Å; F812-P824 HydrophobicContact CE2-CB 4.02Å; F812-P824 HydrophobicContact CG-CB 4.28Å; I813-P824 CarbonylContact O-C 3.59Å; I813-P824 WeakPolarHBondContact O-CA 2.92Å; K814-P824 HydrophobicContact CG-CB 4.14Å |
| 825 | S | 95 | Very high | 91.7 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 163.5 | 168.7 | 75 | 0 | 0 | 0 | 0 | 111.3 | P733 I813 K827 | P733-S825 WeakPolarHBondContact O-CB 3.34Å; I813-S825 PolarHBondContact N-OG 3.16Å; I813-S825 PolarHBondContact O-N 2.66Å; S825-K827 PolarHBondContact O-N 2.95Å |
| 826 | P | 91.5 | Very high | 91.3 | Very high | 106 Ų | 106 | 52.2 Ų | 52.2 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -51.9 | 140.8 | 164.4 | -24.6 | 35.1 | 0 | 0 | 0 | 111.1 | ||
| 827 | K | 90.2 | Very high | 91 | Very high | 113 Ų | 113 | 51.1 Ų | 51.1 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 142.8 | 177.2 | -73.8 | -166.2 | 170.3 | -159.1 | 0 | 111.2 | L811 F812 S825 | L811-K827 CarbonylContact O-C 3.55Å; L811-K827 VanDerWaalsContact O-CA 3.29Å; L811-K827 WeakPolarHBondContact O-CA 3.29Å; F812-K827 HydrophobicContact CB-CG 4.28Å; F812-K827 HydrophobicContact CD1-CG 4.22Å; S825-K827 PolarHBondContact O-N 2.95Å |
| 828 | K | 93.4 | Very high | 90.5 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 112.8 | 179.7 | -177.5 | 57.3 | 173.7 | 175 | 0 | 110 | V736 V738 L811 | V736-K828 HydrophobicContact CG1-CB 4.19Å; V736-K828 HydrophobicContact CG1-CG 4.46Å; V738-K828 HydrophobicContact CG2-CG 3.72Å; L811-K828 HydrophobicContact CD1-CB 3.97Å; L811-K828 HydrophobicContact CG-CB 4.35Å; L811-K828 PolarHBondContact N-O 2.81Å; L811-K828 PolarHBondContact O-N 3.24Å |
| 829 | T | 92.4 | Very high | 90.3 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 144.5 | 175.5 | -40.8 | 0 | 0 | 0 | 0 | 110.6 | V808 Y809 D810 | V808-T829 HydrophobicContact CG1-CG2 3.73Å; Y809-T829 CarbonylContact O-C 3.58Å; Y809-T829 VanDerWaalsContact O-CA 3.25Å; Y809-T829 WeakPolarHBondContact O-CA 3.14Å; Y809-T829 WeakPolarHBondContact O-CG2 3.44Å; D810-T829 WeakPolarHBondContact OD1-CB 3.47Å; D810-T829 PolarHBondContact OD1-OG1 2.82Å |
| 830 | F | 91.7 | Very high | 90.3 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 168 | 174.8 | 69.6 | -82.1 | 0 | 0 | 0 | 111.6 | V738 V740 A746 L800 L803 Y809 L811 | V738-F830 HydrophobicContact CB-CD1 4.49Å; V738-F830 HydrophobicContact CB-CG 4.5Å; V738-F830 HydrophobicContact CG1-CB 4.15Å; V738-F830 HydrophobicContact CG1-CD1 3.86Å; V738-F830 HydrophobicContact CG1-CD2 3.98Å; V738-F830 HydrophobicContact CG1-CE1 4.2Å; V738-F830 HydrophobicContact CG1-CE2 4.3Å; V738-F830 HydrophobicContact CG1-CG 3.73Å; V738-F830 HydrophobicContact CG1-CZ 4.4Å; V738-F830 HydrophobicContact CG2-CD1 4.39Å; V740-F830 HydrophobicContact CG2-CD2 3.67Å; V740-F830 HydrophobicContact CG2-CE2 4.3Å; V740-F830 HydrophobicContact CG2-CG 4.47Å; A746-F830 HydrophobicContact CB-CD2 4.4Å; A746-F830 HydrophobicContact CB-CE2 3.62Å; A746-F830 HydrophobicContact CB-CZ 3.93Å; L800-F830 HydrophobicContact CD1-CZ 4.29Å; L803-F830 HydrophobicContact CD1-CE2 3.73Å; L803-F830 HydrophobicContact CD1-CZ 3.96Å; Y809-F830 VanDerWaalsContact CB-CE1 3.48Å; Y809-F830 VanDerWaalsContact CB-CZ 3.49Å; Y809-F830 HydrophobicContact CD2-CE2 4.48Å; Y809-F830 HydrophobicContact CG-CE1 4.49Å; Y809-F830 HydrophobicContact CG-CE2 4.46Å; Y809-F830 HydrophobicContact CG-CZ 4.07Å; Y809-F830 PolarHBondContact N-O 2.83Å; Y809-F830 PolarHBondContact O-N 2.98Å; L811-F830 HydrophobicContact CD2-CE1 3.94Å; L811-F830 HydrophobicContact CG-CE1 4.38Å |
| 831 | E | 90.4 | Very high | 90 | Very high | 139 Ų | 139 | 51.1 Ų | 51.1 | 65% | 0.65 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 140.7 | -178.4 | -55 | -173.1 | 159.7 | 0 | 0 | 110.6 | S807 V808 | S807-E831 WeakPolarHBondContact O-CA 3.46Å; V808-E831 HydrophobicContact CG1-CG 4.23Å; V808-E831 HydrophobicContact CG2-CG 4.11Å |
| 832 | T | 88.8 | Confident | 89.7 | Confident | 6 Ų | 6 | 53 Ų | 53 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 140.6 | 172.3 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | S743 L803 Q804 Y806 S807 Y809 | S743-T832 WeakPolarHBondContact O-CB 3.25Å; L803-T832 HydrophobicContact CB-CG2 3.9Å; L803-T832 HydrophobicContact CD1-CG2 3.86Å; Q804-T832 PolarHBondContact O-OG1 3.14Å; Y806-T832 WeakPolarHBondContact CA-O 3.23Å; Y806-T832 PolarHBondContact N-O 3.34Å; Y806-T832 PolarHBondContact N-OG1 2.81Å; Y806-T832 VanDerWaalsContact N-OG1 3.07Å; S807-T832 PolarHBondContact N-OG1 3.22Å; S807-T832 PolarHBondContact O-N 3.45Å; S807-T832 PolarHBondContact O-OG1 2.97Å; Y809-T832 HydrophobicContact CD2-CG2 4.24Å; Y809-T832 HydrophobicContact CE2-CG2 4.21Å |
| 833 | P | 87.8 | Confident | 89.5 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 158.5 | 172.3 | -27.8 | 34.3 | 0 | 0 | 0 | 114.1 | V740 S743 Y806 | V740-P833 HydrophobicContact CG1-CG 4.45Å; S743-P833 WeakPolarHBondContact CB-O 3.47Å; Y806-P833 PolarHBondContact N-O 3.28Å |
| 834 | E | 86.9 | Confident | 89.2 | Confident | 24 Ų | 24 | 52.4 Ų | 52.4 | 11% | 0.112 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 145.3 | 158.6 | -65.2 | -174.3 | -123.7 | 0 | 0 | 110 | Y806 R866 R918 K919 | Y806-E834 HydrophobicContact CD2-CB 4.46Å; Y806-E834 HydrophobicContact CD2-CG 3.52Å; Y806-E834 HydrophobicContact CE2-CG 3.82Å; Y806-E834 HydrophobicContact CG-CG 4.22Å; E834-R866 PolarHBondContact OE2-N 3.04Å; E834-R918 WeakPolarHBondContact OE1-CD 3.49Å; E834-R918 IonicContact OE1-NH1 2.64Å; E834-R918 PolarHBondContact OE1-NH1 2.83Å; E834-K919 HydrophobicContact CB-CG 4.04Å; E834-K919 WeakPolarHBondContact O-CE 3.3Å; E834-K919 WeakPolarHBondContact O-CG 3.41Å |
| 835 | G | 85.4 | Confident | 89 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | trans | -112.9 | -164 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | N864 T917 | G835-N864 PolarHBondContact N-O 3.06Å; G835-T917 PolarHBondContact O-OG1 2.77Å | ||
| 836 | V | 87 | Confident | 88.3 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | trans | -89.1 | 145.1 | 168.1 | -66.1 | 0 | 0 | 0 | 0 | 110 | N864 K919 | V836-N864 WeakPolarHBondContact O-CB 3.28Å; V836-N864 PolarHBondContact O-ND2 2.81Å; V836-K919 HydrophobicContact CG1-CB 4.31Å | ||
| 837 | P | 87.2 | Confident | 87.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | trans | -73.2 | 160.9 | -178.2 | 31.9 | -32.3 | 0 | 0 | 0 | 111.5 | P860 L867 A915 T917 G922 P923 | P837-P860 HydrophobicContact CB-CG 4.18Å; P837-L867 HydrophobicContact CB-CD2 3.83Å; P837-L867 HydrophobicContact CG-CD2 4.11Å; P837-A915 HydrophobicContact CB-CB 4.04Å; P837-A915 HydrophobicContact CG-CB 3.63Å; P837-T917 HydrophobicContact CB-CG2 4.01Å; P837-T917 HydrophobicContact CG-CG2 3.97Å; P837-G922 WeakPolarHBondContact O-CA 3.26Å; P837-P923 WeakPolarHBondContact O-CD 3.46Å | ||
| 838 | D | 84 | Confident | 87.5 | Confident | 46 Ų | 46 | 51.8 Ų | 51.8 | 25% | 0.246 | 28% | 0.281 | C | S | . | . | trans | -69.7 | -179.3 | 177.3 | -67 | -6.9 | 0 | 0 | 0 | 112.8 | P860 L861 S862 N864 | D838-P860 HydrophobicContact CB-CB 4.17Å; D838-P860 VanDerWaalsContact O-CB 3.26Å; D838-P860 WeakPolarHBondContact O-CB 3.37Å; D838-L861 HydrophobicContact CB-CB 4.3Å; D838-S862 PolarHBondContact N-O 3Å; D838-S862 WeakPolarHBondContact OD2-CA 3.38Å; D838-S862 WeakPolarHBondContact OD2-CB 3.17Å; D838-S862 PolarHBondContact OD2-N 3.29Å; D838-S862 PolarHBondContact OD2-OG 2.82Å; D838-N864 PolarHBondContact OD1-ND2 3.36Å | ||
| 839 | L | 86.9 | Confident | 86.9 | Confident | 76 Ų | 76 | 48.6 Ų | 48.6 | 40% | 0.398 | 27% | 0.272 | S | S | . | . | trans | -61.2 | 134.6 | 171.1 | -166.3 | 73.6 | 0 | 0 | 0 | 110.7 | S841 P860 P923 E924 I925 | L839-S841 PolarHBondContact O-N 2.81Å; L839-P860 VanDerWaalsContact O-CA 3.28Å; L839-P860 WeakPolarHBondContact O-CA 3.29Å; L839-P923 HydrophobicContact CB-CG 4.03Å; L839-P923 HydrophobicContact CD1-CB 4.07Å; L839-P923 HydrophobicContact CD1-CG 4.04Å; L839-E924 VanDerWaalsContact CD1-C 3.48Å; L839-I925 HydrophobicContact CD1-CB 3.92Å; L839-I925 HydrophobicContact CD2-CB 4.49Å; L839-I925 HydrophobicContact CG-CB 4.16Å | ||
| 840 | P | 89.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -55.6 | 131.5 | 169.6 | -23.6 | 34.2 | 0 | 0 | 0 | 111.3 | F842 L913 A915 I925 | P840-F842 PolarHBondContact O-N 2.93Å; P840-F842 VanDerWaalsContact O-N 3.11Å; P840-L913 HydrophobicContact CB-CD2 4.17Å; P840-L913 HydrophobicContact CG-CD2 4.18Å; P840-A915 HydrophobicContact CG-CB 4.48Å; P840-I925 HydrophobicContact CB-CG2 4.03Å; P840-I925 HydrophobicContact CG-CG2 4.11Å |
| 841 | S | 85.1 | Confident | 85.9 | Confident | 74 Ų | 74 | 51.4 Ų | 51.4 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -59.9 | -25.8 | -170.5 | 47.6 | 0 | 0 | 0 | 0 | 115.2 | L839 G858 P859 | L839-S841 PolarHBondContact O-N 2.81Å; S841-G858 WeakPolarHBondContact OG-CA 3.26Å; S841-P859 WeakPolarHBondContact CB-O 3.47Å; S841-P859 PolarHBondContact N-O 2.92Å; S841-P859 PolarHBondContact OG-O 2.88Å |
| 842 | F | 87.6 | Confident | 85.7 | Confident | 88 Ų | 88 | 46 Ų | 46 | 39% | 0.386 | 26% | 0.261 | S | S | . | . | trans | -158.6 | 160.1 | 166.1 | 67.4 | -87.1 | 0 | 0 | 0 | 110.9 | P840 K856 W857 G858 | P840-F842 PolarHBondContact O-N 2.93Å; P840-F842 VanDerWaalsContact O-N 3.11Å; F842-K856 HydrophobicContact CE2-CG 4.14Å; F842-W857 VanDerWaalsContact CZ-C 3.45Å; F842-W857 WeakPolarHBondContact O-CA 3.45Å; F842-W857 WeakPolarHBondContact O-CB 3.14Å; F842-G858 VanDerWaalsContact CE1-CA 3.4Å; F842-G858 PolarHBondContact O-N 3.24Å; F842-G858 VanDerWaalsContact O-N 3.07Å | ||
| 843 | L | 90.5 | Very high | 85.7 | Confident | 15 Ų | 15 | 45.8 Ų | 45.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138 | 162.3 | 171.9 | 65.5 | 0 | 0 | 0 | 106.6 | L855 K856 W857 F911 L913 I925 E927 | L843-L855 HydrophobicContact CD1-CB 4.37Å; L843-L855 HydrophobicContact CD1-CD2 4.12Å; L843-K856 CarbonylContact C-O 3.56Å; L843-K856 WeakPolarHBondContact CA-O 3.4Å; L843-W857 HydrophobicContact CD1-CB 4.27Å; L843-W857 HydrophobicContact CD1-CE3 4.22Å; L843-F911 HydrophobicContact CD2-CB 4.24Å; L843-L913 HydrophobicContact CD1-CB 4.35Å; L843-L913 HydrophobicContact CD1-CD2 4.25Å; L843-L913 HydrophobicContact CD2-CB 3.94Å; L843-I925 HydrophobicContact CB-CD1 4.4Å; L843-I925 HydrophobicContact CB-CG1 4.3Å; L843-I925 HydrophobicContact CB-CG2 3.73Å; L843-I925 HydrophobicContact CD2-CG2 4.33Å; L843-E927 HydrophobicContact CD2-CB 3.67Å; L843-E927 HydrophobicContact CG-CB 3.85Å |
| 844 | S | 87.9 | Confident | 85.8 | Confident | 36 Ų | 36 | 44.5 Ų | 44.5 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.5 | 176.1 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | L855 K856 E927 | S844-L855 CarbonylContact O-C 3.56Å; S844-L855 WeakPolarHBondContact O-CA 3.31Å; S844-K856 PolarHBondContact N-O 2.83Å; S844-K856 PolarHBondContact O-N 2.72Å; S844-E927 WeakPolarHBondContact CA-OE1 3.29Å |
| 845 | V | 88.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 43.4 Ų | 43.4 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.1 | 169.1 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | L853 L855 F911 E927 A929 | V845-L853 HydrophobicContact CG1-CB 4.37Å; V845-L853 HydrophobicContact CG1-CD2 4.12Å; V845-L855 HydrophobicContact CG2-CD2 4.03Å; V845-L855 HydrophobicContact CG2-CG 4.07Å; V845-F911 HydrophobicContact CG2-CE2 4.49Å; V845-E927 HydrophobicContact CG2-CG 3.94Å; V845-A929 HydrophobicContact CB-CB 3.91Å; V845-A929 HydrophobicContact CG1-CB 3.98Å; V845-A929 HydrophobicContact CG2-CB 3.56Å |
| 846 | T | 81.8 | Confident | 86.4 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -13.4 | -164.6 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | T854 K856 | T846-T854 PolarHBondContact N-O 2.84Å; T846-T854 PolarHBondContact OG1-O 2.78Å; T846-K856 HydrophobicContact CG2-CB 3.91Å |
| 847 | D | 77.6 | Confident | 86.7 | Confident | 90 Ų | 90 | 44.6 Ų | 44.6 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 144 | 174.1 | -174.4 | 24.9 | 0 | 0 | 0 | 109.9 | L853 T854 | D847-L853 WeakPolarHBondContact O-CA 3.48Å; D847-T854 PolarHBondContact O-N 3.49Å; D847-T854 VanDerWaalsContact O-N 3.08Å |
| 848 | H | 86.3 | Confident | 86.7 | Confident | 91 Ų | 91 | 44.6 Ų | 44.6 | 42% | 0.421 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 90.9 | -172.6 | -64.2 | -110.1 | 0 | 0 | 0 | 110.5 | L853 S930 | H848-L853 HydrophobicContact CB-CD2 4.25Å; H848-S930 PolarHBondContact ND1-O 2.7Å |
| 849 | G | 81.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 19% | 0.186 | 26% | 0.255 | C | S | . | . | trans | -84.8 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T852 A932 | G849-T852 WeakPolarHBondContact CA-OG1 3.27Å; G849-T852 PolarHBondContact N-O 3.08Å; G849-A932 WeakPolarHBondContact O-CB 3.37Å; G849-A932 PolarHBondContact O-N 3.48Å | ||
| 850 | L | 80 | Confident | 86.8 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 45% | 0.445 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65.3 | -43.6 | 175.6 | -68.7 | 170.5 | 0 | 0 | 0 | 111.3 | T905 T931 A932 | L850-T905 HydrophobicContact CB-CG2 4.23Å; L850-T905 WeakPolarHBondContact O-CA 3.48Å; L850-T905 VanDerWaalsContact O-CG2 3.31Å; L850-T905 WeakPolarHBondContact O-CG2 3.49Å; L850-T931 WeakPolarHBondContact O-CB 3.28Å; L850-A932 HydrophobicContact CD2-CB 4.15Å |
| 851 | D | 84 | Confident | 86.2 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -120.7 | 12.6 | 178 | 75.2 | -59.2 | 0 | 0 | 0 | 113.3 | T901 S902 L903 | D851-T901 CarbonylContact O-C 3.45Å; D851-S902 PolarHBondContact O-N 2.73Å; D851-S902 VanDerWaalsContact O-N 3.16Å; D851-S902 PolarHBondContact OD2-N 2.84Å; D851-L903 WeakPolarHBondContact CA-O 3.46Å; D851-L903 WeakPolarHBondContact CB-O 3.27Å; D851-L903 WeakPolarHBondContact O-CB 3.36Å; D851-L903 PolarHBondContact O-N 2.94Å |
| 852 | T | 86.1 | Confident | 86 | Confident | 27 Ų | 27 | 48.9 Ų | 48.9 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | trans | -133.4 | 149.5 | -172.5 | 71.6 | 0 | 0 | 0 | 0 | 113.3 | G849 L900 T901 | G849-T852 WeakPolarHBondContact CA-OG1 3.27Å; G849-T852 PolarHBondContact N-O 3.08Å; T852-L900 WeakPolarHBondContact CA-O 3.1Å; T852-L900 VanDerWaalsContact CB-O 3.29Å; T852-L900 WeakPolarHBondContact CB-O 3.41Å; T852-T901 HydrophobicContact CG2-CG2 3.88Å | ||
| 853 | L | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 129.9 | 172.3 | -69.3 | 173.1 | 0 | 0 | 0 | 109.8 | V845 D847 H848 L900 L903 Y909 F911 A929 T931 | V845-L853 HydrophobicContact CG1-CB 4.37Å; V845-L853 HydrophobicContact CG1-CD2 4.12Å; D847-L853 WeakPolarHBondContact O-CA 3.48Å; H848-L853 HydrophobicContact CB-CD2 4.25Å; L853-L900 PolarHBondContact N-O 2.76Å; L853-L900 VanDerWaalsContact N-O 3.08Å; L853-L900 PolarHBondContact O-N 2.89Å; L853-L903 HydrophobicContact CB-CD1 3.89Å; L853-L903 HydrophobicContact CD1-CD1 3.72Å; L853-L903 HydrophobicContact CG-CD1 3.72Å; L853-Y909 HydrophobicContact CD1-CD2 4.32Å; L853-F911 HydrophobicContact CD1-CE2 4.16Å; L853-F911 HydrophobicContact CD1-CZ 3.69Å; L853-A929 HydrophobicContact CD1-CB 4.3Å; L853-A929 HydrophobicContact CD2-CB 4.42Å; L853-T931 HydrophobicContact CD1-CG2 4.25Å; L853-T931 HydrophobicContact CG-CG2 4.1Å |
| 854 | T | 89.2 | Confident | 85.3 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.4 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | T846 D847 T897 I898 T899 | T846-T854 PolarHBondContact N-O 2.84Å; T846-T854 PolarHBondContact OG1-O 2.78Å; D847-T854 PolarHBondContact O-N 3.49Å; D847-T854 VanDerWaalsContact O-N 3.08Å; T854-T897 HydrophobicContact CG2-CG2 3.96Å; T854-I898 CarbonylContact C-O 3.58Å; T854-I898 WeakPolarHBondContact CA-O 3.36Å; T854-T899 WeakPolarHBondContact CG2-OG1 3.49Å; T854-T899 WeakPolarHBondContact OG1-CG2 3.4Å; T854-T899 PolarHBondContact OG1-OG1 3.18Å |
| 855 | L | 92.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 145.6 | -179.7 | -59.8 | 100.1 | 0 | 0 | 0 | 111.6 | L843 S844 V845 W857 T897 I898 L900 F911 | L843-L855 HydrophobicContact CD1-CB 4.37Å; L843-L855 HydrophobicContact CD1-CD2 4.12Å; S844-L855 CarbonylContact O-C 3.56Å; S844-L855 WeakPolarHBondContact O-CA 3.31Å; V845-L855 HydrophobicContact CG2-CD2 4.03Å; V845-L855 HydrophobicContact CG2-CG 4.07Å; L855-W857 HydrophobicContact CB-CZ3 4.43Å; L855-T897 CarbonylContact O-C 3.56Å; L855-T897 VanDerWaalsContact O-CA 3.23Å; L855-T897 WeakPolarHBondContact O-CA 3.41Å; L855-T897 WeakPolarHBondContact O-CG2 3.48Å; L855-I898 HydrophobicContact CB-CG2 4.43Å; L855-I898 HydrophobicContact CD1-CG2 4.46Å; L855-I898 PolarHBondContact N-O 2.93Å; L855-I898 PolarHBondContact O-N 2.79Å; L855-L900 HydrophobicContact CD1-CD1 3.55Å; L855-L900 HydrophobicContact CD1-CG 3.8Å; L855-F911 HydrophobicContact CD1-CD1 4.27Å; L855-F911 HydrophobicContact CD1-CE1 4.08Å; L855-F911 HydrophobicContact CD2-CB 3.97Å; L855-F911 HydrophobicContact CD2-CD1 3.51Å; L855-F911 HydrophobicContact CD2-CD2 3.97Å; L855-F911 HydrophobicContact CD2-CE1 4.02Å; L855-F911 HydrophobicContact CD2-CE2 4.41Å; L855-F911 HydrophobicContact CD2-CG 3.51Å; L855-F911 HydrophobicContact CD2-CZ 4.44Å |
| 856 | K | 91.9 | Very high | 85 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 43% | 0.426 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.4 | 177.7 | -176.1 | 173.5 | -179 | -177.1 | 0 | 110.6 | F842 L843 S844 T846 T896 T897 | F842-K856 HydrophobicContact CE2-CG 4.14Å; L843-K856 CarbonylContact C-O 3.56Å; L843-K856 WeakPolarHBondContact CA-O 3.4Å; S844-K856 PolarHBondContact N-O 2.83Å; S844-K856 PolarHBondContact O-N 2.72Å; T846-K856 HydrophobicContact CG2-CB 3.91Å; K856-T896 WeakPolarHBondContact CA-O 3.49Å; K856-T896 WeakPolarHBondContact CG-O 3.36Å; K856-T897 HydrophobicContact CB-CG2 4.42Å |
| 857 | W | 93.5 | Very high | 85.2 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 162.3 | -179.4 | 58.2 | 89.8 | 0 | 0 | 0 | 113.5 | F842 L843 L855 Y870 F891 V895 T896 I898 L913 | F842-W857 VanDerWaalsContact CZ-C 3.45Å; F842-W857 WeakPolarHBondContact O-CA 3.45Å; F842-W857 WeakPolarHBondContact O-CB 3.14Å; L843-W857 HydrophobicContact CD1-CB 4.27Å; L843-W857 HydrophobicContact CD1-CE3 4.22Å; L855-W857 HydrophobicContact CB-CZ3 4.43Å; W857-Y870 AromaticContact CD1-CE1 3.95Å; W857-Y870 HydrophobicContact CZ2-CD2 4.48Å; W857-Y870 AromaticContact NE1-CD1 3.74Å; W857-Y870 AromaticContact NE1-CD2 3.41Å; W857-Y870 AromaticContact NE1-CE1 3.91Å; W857-Y870 AromaticContact NE1-CE2 3.6Å; W857-Y870 AromaticContact NE1-CG 3.51Å; W857-Y870 AromaticContact NE1-CZ 3.87Å; W857-F891 AromaticContact CH2-CD2 3.76Å; W857-F891 HydrophobicContact CH2-CD2 3.76Å; W857-F891 AromaticContact CH2-CE2 3.78Å; W857-F891 HydrophobicContact CH2-CE2 3.78Å; W857-F891 AromaticContact CZ2-CD2 3.89Å; W857-F891 HydrophobicContact CZ2-CD2 3.89Å; W857-F891 HydrophobicContact CZ2-CE2 4.37Å; W857-V895 HydrophobicContact CH2-CG1 4.26Å; W857-V895 HydrophobicContact CZ2-CG1 3.98Å; W857-V895 WeakPolarHBondContact CZ2-O 3.49Å; W857-V895 PolarHBondContact NE1-O 2.82Å; W857-T896 PolarHBondContact N-O 3.43Å; W857-T896 WeakPolarHBondContact O-CB 3.46Å; W857-I898 HydrophobicContact CH2-CB 4.14Å; W857-I898 HydrophobicContact CH2-CG2 3.91Å; W857-I898 HydrophobicContact CZ3-CB 4.32Å; W857-I898 HydrophobicContact CZ3-CG2 3.73Å; W857-L913 HydrophobicContact CB-CD2 3.37Å; W857-L913 HydrophobicContact CD2-CD1 4.06Å; W857-L913 HydrophobicContact CD2-CD2 3.57Å; W857-L913 HydrophobicContact CD2-CG 4.48Å; W857-L913 HydrophobicContact CE3-CD1 4.2Å; W857-L913 HydrophobicContact CE3-CD2 4.12Å; W857-L913 HydrophobicContact CG-CD2 3.23Å; W857-L913 HydrophobicContact CH2-CD1 4.46Å; W857-L913 HydrophobicContact CZ2-CD1 4.31Å; W857-L913 HydrophobicContact CZ3-CD1 4.39Å |
| 858 | G | 86.8 | Confident | 85.7 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 168.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | S841 F842 | S841-G858 WeakPolarHBondContact OG-CA 3.26Å; F842-G858 VanDerWaalsContact CE1-CA 3.4Å; F842-G858 PolarHBondContact O-N 3.24Å; F842-G858 VanDerWaalsContact O-N 3.07Å |
| 859 | P | 85.9 | Confident | 85.8 | Confident | 73 Ų | 73 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 160.5 | 168.4 | 31.1 | -35.4 | 0 | 0 | 0 | 111.3 | S841 Y870 | S841-P859 WeakPolarHBondContact CB-O 3.47Å; S841-P859 PolarHBondContact N-O 2.92Å; S841-P859 PolarHBondContact OG-O 2.88Å; P859-Y870 WeakPolarHBondContact CA-OH 3.46Å |
| 860 | P | 86.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -68.2 | 160.6 | 170.9 | 32.9 | -36.1 | 0 | 0 | 0 | 111.7 | P837 D838 L839 L867 A915 | P837-P860 HydrophobicContact CB-CG 4.18Å; D838-P860 HydrophobicContact CB-CB 4.17Å; D838-P860 VanDerWaalsContact O-CB 3.26Å; D838-P860 WeakPolarHBondContact O-CB 3.37Å; L839-P860 VanDerWaalsContact O-CA 3.28Å; L839-P860 WeakPolarHBondContact O-CA 3.29Å; P860-L867 HydrophobicContact CG-CD1 4.21Å; P860-L867 HydrophobicContact CG-CD2 4.15Å; P860-A915 HydrophobicContact CB-CB 4.37Å; P860-A915 HydrophobicContact CG-CB 4.08Å |
| 861 | L | 77.4 | Confident | 87 | Confident | 156 Ų | 156 | 42.9 Ų | 42.9 | 82% | 0.817 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -62.1 | -54.7 | -178.7 | -176.1 | 64.7 | 0 | 0 | 0 | 111.4 | D838 | D838-L861 HydrophobicContact CB-CB 4.3Š|
| 862 | S | 80.9 | Confident | 87.5 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | trans | -115.2 | 135.3 | 169.7 | -33 | 0 | 0 | 0 | 0 | 110.1 | D838 N864 | D838-S862 PolarHBondContact N-O 3Å; D838-S862 WeakPolarHBondContact OD2-CA 3.38Å; D838-S862 WeakPolarHBondContact OD2-CB 3.17Å; D838-S862 PolarHBondContact OD2-N 3.29Å; D838-S862 PolarHBondContact OD2-OG 2.82Å; S862-N864 VanDerWaalsContact C-N 3.35Å; S862-N864 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 863 | N | 81.5 | Confident | 87.8 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 40% | 0.401 | 21% | 0.213 | S | C | . | . | trans | -77 | -23.2 | 177.2 | -67.7 | -44 | 0 | 0 | 0 | 112.8 | G865 L867 T917 | N863-G865 WeakPolarHBondContact CB-O 3.14Å; N863-G865 PolarHBondContact O-N 2.85Å; N863-L867 HydrophobicContact CB-CG 4.32Å; N863-L867 WeakPolarHBondContact OD1-CD1 3.48Å; N863-L867 WeakPolarHBondContact OD1-CG 3.36Å; N863-T917 WeakPolarHBondContact O-CG2 3.48Å | ||
| 864 | N | 81.8 | Confident | 87.9 | Confident | 33 Ų | 33 | 41.8 Ų | 41.8 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | S | Bend | trans | 51.3 | 20.4 | -179.6 | -59.7 | -25.9 | 0 | 0 | 0 | 115.2 | P805 G835 V836 D838 S862 | P805-N864 HydrophobicContact CB-CB 3.85Å; P805-N864 HydrophobicContact CG-CB 4.03Å; G835-N864 PolarHBondContact N-O 3.06Å; V836-N864 WeakPolarHBondContact O-CB 3.28Å; V836-N864 PolarHBondContact O-ND2 2.81Å; D838-N864 PolarHBondContact OD1-ND2 3.36Å; S862-N864 VanDerWaalsContact C-N 3.35Å; S862-N864 WeakPolarHBondContact CB-OD1 3.24Å |
| 865 | G | 84.6 | Confident | 88.1 | Confident | 12 Ų | 12 | 41.3 Ų | 41.3 | 12% | 0.124 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 145.3 | -164.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N863 | N863-G865 WeakPolarHBondContact CB-O 3.14Å; N863-G865 PolarHBondContact O-N 2.85Å |
| 866 | R | 85.8 | Confident | 87.9 | Confident | 164 Ų | 164 | 42.7 Ų | 42.7 | 62% | 0.619 | 22% | 0.221 | S | C | * | . | trans | -92.7 | 112.5 | -176 | -168.5 | 176.1 | -178.4 | -154.1 | -0.4 | 111.2 | E834 T868 T917 | E834-R866 PolarHBondContact OE2-N 3.04Å; R866-T868 PolarHBondContact O-N 2.91Å; R866-T917 WeakPolarHBondContact O-CA 3.49Å | ||
| 867 | L | 85.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | trans | -55.2 | 129.2 | 173.9 | -76.2 | -175.3 | 0 | 0 | 0 | 111.9 | P837 P860 N863 A893 A915 R916 T917 | P837-L867 HydrophobicContact CB-CD2 3.83Å; P837-L867 HydrophobicContact CG-CD2 4.11Å; P860-L867 HydrophobicContact CG-CD1 4.21Å; P860-L867 HydrophobicContact CG-CD2 4.15Å; N863-L867 HydrophobicContact CB-CG 4.32Å; N863-L867 WeakPolarHBondContact OD1-CD1 3.48Å; N863-L867 WeakPolarHBondContact OD1-CG 3.36Å; L867-A893 HydrophobicContact CB-CB 3.97Å; L867-A915 HydrophobicContact CD2-CB 4.09Å; L867-R916 WeakPolarHBondContact CA-O 3.37Å; L867-T917 HydrophobicContact CD2-CG2 4.48Å | ||
| 868 | T | 88.6 | Confident | 86.3 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 36% | 0.362 | 23% | 0.232 | S | C | . | . | trans | -104.4 | -19.8 | 174.1 | 60.3 | 0 | 0 | 0 | 0 | 112 | R866 R916 T917 R918 | R866-T868 PolarHBondContact O-N 2.91Å; T868-R916 PolarHBondContact N-O 2.87Å; T868-R916 WeakPolarHBondContact OG1-CD 3.48Å; T868-R916 WeakPolarHBondContact OG1-CG 3.28Å; T868-R916 PolarHBondContact OG1-O 3.35Å; T868-R916 VanDerWaalsContact OG1-O 3.14Å; T868-T917 VanDerWaalsContact CG2-O 3.31Å; T868-T917 WeakPolarHBondContact CG2-O 3.25Å; T868-T917 PolarHBondContact OG1-O 2.98Å; T868-R918 HydrophobicContact CG2-CG 3.95Å | ||
| 869 | G | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.3 | -153.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | F891 A915 R916 | G869-F891 CarbonylContact C-O 3.51Å; G869-F891 WeakPolarHBondContact CA-O 3.32Å; G869-A915 CarbonylContact O-C 3.54Å; G869-R916 VanDerWaalsContact C-CG 3.4Å; G869-R916 PolarHBondContact N-O 2.56Å; G869-R916 WeakPolarHBondContact O-CG 3.33Å; G869-R916 PolarHBondContact O-N 3.06Å |
| 870 | Y | 93.4 | Very high | 83.6 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.2 | 176.3 | -58.1 | -86.1 | 0 | 0 | 0 | 111.4 | W857 P859 T890 F891 V895 L913 K914 A915 | W857-Y870 AromaticContact CD1-CE1 3.95Å; W857-Y870 HydrophobicContact CZ2-CD2 4.48Å; W857-Y870 AromaticContact NE1-CD1 3.74Å; W857-Y870 AromaticContact NE1-CD2 3.41Å; W857-Y870 AromaticContact NE1-CE1 3.91Å; W857-Y870 AromaticContact NE1-CE2 3.6Å; W857-Y870 AromaticContact NE1-CG 3.51Å; W857-Y870 AromaticContact NE1-CZ 3.87Å; P859-Y870 WeakPolarHBondContact CA-OH 3.46Å; Y870-T890 CarbonylContact O-C 3.52Å; Y870-T890 VanDerWaalsContact O-CA 3.32Å; Y870-T890 WeakPolarHBondContact O-CA 3.22Å; Y870-T890 WeakPolarHBondContact O-CB 3.24Å; Y870-F891 PolarHBondContact N-O 2.93Å; Y870-F891 PolarHBondContact O-N 3.39Å; Y870-V895 WeakPolarHBondContact CD2-O 3.41Å; Y870-V895 WeakPolarHBondContact CE2-O 3.28Å; Y870-L913 HydrophobicContact CD1-CD2 4.47Å; Y870-K914 CarbonylContact C-O 3.55Å; Y870-K914 VanDerWaalsContact CA-O 3.24Å; Y870-K914 WeakPolarHBondContact CA-O 3.34Å; Y870-A915 HydrophobicContact CD1-CB 4.03Å; Y870-A915 HydrophobicContact CE1-CB 3.89Å |
| 871 | T | 92.6 | Very high | 82.3 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 8% | 0.08 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 128.5 | 171.1 | -67.3 | 0 | 0 | 0 | 0 | 108.9 | E888 V889 T890 L913 K914 | T871-E888 HydrophobicContact CG2-CG 3.97Å; T871-E888 WeakPolarHBondContact CG2-OE1 3.42Å; T871-V889 WeakPolarHBondContact CA-O 3.45Å; T871-T890 HydrophobicContact CG2-CG2 4.2Å; T871-T890 WeakPolarHBondContact OG1-CG2 3.42Å; T871-L913 WeakPolarHBondContact O-CA 3.3Å; T871-K914 PolarHBondContact N-O 2.98Å; T871-K914 PolarHBondContact O-N 2.02Å |
| 872 | L | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.4 | 177.2 | 178.5 | 66.6 | 0 | 0 | 0 | 109.6 | E888 V889 F891 I898 L900 F911 Y912 L913 | L872-E888 WeakPolarHBondContact O-CA 3.26Å; L872-V889 PolarHBondContact N-O 2.94Å; L872-V889 PolarHBondContact O-N 2.74Å; L872-F891 HydrophobicContact CB-CE2 3.78Å; L872-F891 HydrophobicContact CD2-CE2 4.18Å; L872-F891 HydrophobicContact CD2-CZ 4.49Å; L872-I898 HydrophobicContact CD2-CG2 4.12Å; L872-L900 HydrophobicContact CD2-CD1 4.47Å; L872-F911 HydrophobicContact CD1-CB 4.32Å; L872-F911 HydrophobicContact CD1-CD1 4.48Å; L872-Y912 CarbonylContact C-O 3.55Å; L872-Y912 WeakPolarHBondContact CA-O 3.22Å; L872-L913 HydrophobicContact CB-CD1 3.99Å; L872-L913 HydrophobicContact CD1-CB 4.24Å; L872-L913 HydrophobicContact CD1-CD1 4.18Å |
| 873 | K | 93 | Very high | 81.4 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147.3 | 167.5 | -59.2 | 174.2 | -173 | -93.3 | 0 | 109.7 | V886 K887 E888 F911 Y912 | K873-V886 HydrophobicContact CB-CG1 4.08Å; K873-K887 CarbonylContact C-O 3.52Å; K873-K887 VanDerWaalsContact CA-O 3.3Å; K873-K887 WeakPolarHBondContact CA-O 3.15Å; K873-E888 WeakPolarHBondContact CE-OE1 3.45Å; K873-E888 HydrophobicContact CG-CB 4.12Å; K873-E888 HydrophobicContact CG-CG 3.85Å; K873-E888 IonicContact NZ-OE1 3.71Å; K873-E888 PolarHBondContact NZ-OE1 2.81Å; K873-E888 IonicContact NZ-OE2 2.79Å; K873-E888 PolarHBondContact NZ-OE2 2.77Å; K873-F911 WeakPolarHBondContact O-CA 3.22Å; K873-Y912 HydrophobicContact CB-CD2 4.5Å; K873-Y912 PolarHBondContact N-O 2.95Å; K873-Y912 PolarHBondContact O-N 2.82Å |
| 874 | Y | 92 | Very high | 81.1 | Confident | 19 Ų | 19 | 53.4 Ų | 53.4 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 151.5 | 173.3 | 66.5 | -81.6 | 0 | 0 | 0 | 113.7 | V886 K887 V889 L900 L903 Y909 K910 F911 | Y874-V886 WeakPolarHBondContact O-CA 3.38Å; Y874-K887 HydrophobicContact CD1-CB 4.17Å; Y874-K887 HydrophobicContact CD2-CB 4.49Å; Y874-K887 HydrophobicContact CE1-CB 3.74Å; Y874-K887 HydrophobicContact CE1-CD 4.45Å; Y874-K887 HydrophobicContact CE2-CB 4.1Å; Y874-K887 HydrophobicContact CE2-CD 3.69Å; Y874-K887 HydrophobicContact CE2-CG 4.42Å; Y874-K887 PolarHBondContact N-O 3.17Å; Y874-K887 PolarHBondContact O-N 2.78Å; Y874-K887 VanDerWaalsContact OH-CD 3.27Å; Y874-K887 WeakPolarHBondContact OH-CD 3Å; Y874-V889 HydrophobicContact CE1-CG2 4.3Å; Y874-L900 HydrophobicContact CD1-CD1 3.95Å; Y874-L900 HydrophobicContact CD2-CD1 4.17Å; Y874-L900 HydrophobicContact CE1-CD1 3.86Å; Y874-L900 HydrophobicContact CE1-CD2 3.95Å; Y874-L900 HydrophobicContact CE2-CD1 4.08Å; Y874-L900 HydrophobicContact CG-CD1 4.11Å; Y874-L903 HydrophobicContact CD2-CD2 4.45Å; Y874-L903 HydrophobicContact CE2-CD2 3.7Å; Y874-Y909 HydrophobicContact CD2-CD1 4.1Å; Y874-Y909 HydrophobicContact CD2-CE1 4.46Å; Y874-K910 WeakPolarHBondContact CA-O 3.32Å; Y874-K910 WeakPolarHBondContact CB-O 3.3Å; Y874-F911 VanDerWaalsContact CB-CD1 3.41Å; Y874-F911 HydrophobicContact CD2-CE1 4.23Å; Y874-F911 HydrophobicContact CG-CD1 4.19Å; Y874-F911 AromaticContact CG-CE1 3.99Å; Y874-F911 HydrophobicContact CG-CE1 3.99Å |
| 875 | H | 91.6 | Very high | 81 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 3% | 0.028 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 155.8 | 176.1 | 51.8 | 73.3 | 0 | 0 | 0 | 111.1 | G884 V886 Y909 K910 Y912 | H875-G884 WeakPolarHBondContact CB-O 3.39Å; H875-V886 HydrophobicContact CB-CG2 4.22Å; H875-Y909 WeakPolarHBondContact O-CA 3.47Å; H875-Y909 WeakPolarHBondContact O-CD1 3.34Å; H875-K910 PolarHBondContact N-O 3.06Å; H875-K910 VanDerWaalsContact N-O 3.17Å; H875-K910 PolarHBondContact O-N 3.12Å; H875-Y912 AromaticContact CD2-CE2 3.84Å; H875-Y912 AromaticContact NE2-CE2 3.22Å; H875-Y912 WeakPolarHBondContact NE2-CE2 3.38Å; H875-Y912 AromaticContact NE2-CZ 3.56Å; H875-Y912 PolarHBondContact NE2-OH 3.08Å; H875-Y912 VanDerWaalsContact NE2-OH 3.1Å |
| 876 | P | 89 | Confident | 81.1 | Confident | 28 Ų | 28 | 60.8 Ų | 60.8 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 143.3 | 171.8 | 31 | -31.2 | 0 | 0 | 0 | 110.8 | G884 V907 L908 Y909 | P876-G884 WeakPolarHBondContact O-CA 3.06Å; P876-G884 PolarHBondContact O-N 3.48Å; P876-V907 HydrophobicContact CB-CG1 3.65Å; P876-L908 CarbonylContact C-O 3.57Å; P876-L908 WeakPolarHBondContact CA-O 3.32Å; P876-Y909 HydrophobicContact CB-CD1 4.05Å; P876-Y909 HydrophobicContact CB-CE1 3.65Å; P876-Y909 HydrophobicContact CG-CE1 4.17Å |
| 877 | V | 82.9 | Confident | 81.1 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.158 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 126 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | L883 L908 K910 | V877-L883 HydrophobicContact CG2-CD2 4.32Å; V877-L908 HydrophobicContact CB-CB 4.29Å; V877-L908 HydrophobicContact CB-CD2 4.03Å; V877-L908 HydrophobicContact CB-CG 4.08Å; V877-L908 HydrophobicContact CG1-CD2 4.27Å; V877-L908 HydrophobicContact CG2-CD2 4.27Å; V877-L908 HydrophobicContact CG2-CG 4.15Å; V877-L908 PolarHBondContact N-O 2.83Å; V877-K910 HydrophobicContact CG2-CB 4.07Å |
| 878 | N | 70 | Confident | 81.4 | Confident | 93 Ų | 93 | 61 Ų | 61 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 168 | -178 | -163.2 | 20.6 | 0 | 0 | 0 | 112.1 | T880 S881 E882 | N878-T880 PolarHBondContact ND2-OG1 3.26Å; N878-T880 PolarHBondContact O-N 3.23Å; N878-T880 VanDerWaalsContact O-N 3.08Å; N878-S881 WeakPolarHBondContact O-CA 3.32Å; N878-S881 PolarHBondContact O-N 3.24Å; N878-E882 WeakPolarHBondContact CB-O 3.34Å; N878-E882 PolarHBondContact N-O 2.65Å |
| 879 | T | 58.4 | Low | 81.5 | Confident | 141 Ų | 141 | 60.6 Ų | 60.6 | 87% | 0.865 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -12.4 | 179.2 | 53 | 0 | 0 | 0 | 0 | 114.7 | ||
| 880 | T | 57.1 | Low | 81.5 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 3.8 | 171.1 | 47.1 | 0 | 0 | 0 | 0 | 113.7 | N878 E882 | N878-T880 PolarHBondContact ND2-OG1 3.26Å; N878-T880 PolarHBondContact O-N 3.23Å; N878-T880 VanDerWaalsContact O-N 3.08Å; T880-E882 WeakPolarHBondContact CB-OE2 2.97Å; T880-E882 PolarHBondContact O-N 3.34Å; T880-E882 WeakPolarHBondContact OG1-CG 3.28Å; T880-E882 PolarHBondContact OG1-OE2 3.05Å |
| 881 | S | 59 | Low | 81.3 | Confident | 98 Ų | 98 | 64.9 Ų | 64.9 | 69% | 0.685 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 62 | 10.9 | -166.7 | -55.5 | 0 | 0 | 0 | 0 | 114.9 | N878 | N878-S881 WeakPolarHBondContact O-CA 3.32Å; N878-S881 PolarHBondContact O-N 3.24Å |
| 882 | E | 63.7 | Low | 81.2 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | trans | -76.2 | 145.8 | 172.9 | -66.5 | 171.1 | 127 | 0 | 0 | 111.2 | N878 T880 | N878-E882 WeakPolarHBondContact CB-O 3.34Å; N878-E882 PolarHBondContact N-O 2.65Å; T880-E882 WeakPolarHBondContact CB-OE2 2.97Å; T880-E882 PolarHBondContact O-N 3.34Å; T880-E882 WeakPolarHBondContact OG1-CG 3.28Å; T880-E882 PolarHBondContact OG1-OE2 3.05Å | ||
| 883 | L | 75.8 | Confident | 80.9 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 129.2 | -173.2 | -51 | -174.8 | 0 | 0 | 0 | 111 | V877 | V877-L883 HydrophobicContact CG2-CD2 4.32Å |
| 884 | G | 75.7 | Confident | 80.6 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | trans | -79.7 | -172.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H875 P876 V886 | H875-G884 WeakPolarHBondContact CB-O 3.39Å; P876-G884 WeakPolarHBondContact O-CA 3.06Å; P876-G884 PolarHBondContact O-N 3.48Å; G884-V886 PolarHBondContact O-N 2.85Å | ||
| 885 | P | 79.4 | Confident | 80.4 | Confident | 111 Ų | 111 | 74.4 Ų | 74.4 | 72% | 0.721 | 43% | 0.433 | S | S | * | . | trans | -64.8 | 130.5 | -177.7 | 26.4 | -34.4 | 0 | 0 | 0 | 112.1 | ||||
| 886 | V | 85.9 | Confident | 80.3 | Confident | 88 Ų | 88 | 77 Ų | 77 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | trans | -81.3 | 131.6 | -177.4 | -168 | 0 | 0 | 0 | 0 | 111.5 | K873 Y874 H875 G884 | K873-V886 HydrophobicContact CB-CG1 4.08Å; Y874-V886 WeakPolarHBondContact O-CA 3.38Å; H875-V886 HydrophobicContact CB-CG2 4.22Å; G884-V886 PolarHBondContact O-N 2.85Å | ||
| 887 | K | 86.9 | Confident | 80.4 | Confident | 101 Ų | 101 | 78.7 Ų | 78.7 | 44% | 0.439 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 145.2 | 166.1 | -65.8 | 178.1 | -179.5 | 176.8 | 0 | 109.2 | K873 Y874 | K873-K887 CarbonylContact C-O 3.52Å; K873-K887 VanDerWaalsContact CA-O 3.3Å; K873-K887 WeakPolarHBondContact CA-O 3.15Å; Y874-K887 HydrophobicContact CD1-CB 4.17Å; Y874-K887 HydrophobicContact CD2-CB 4.49Å; Y874-K887 HydrophobicContact CE1-CB 3.74Å; Y874-K887 HydrophobicContact CE1-CD 4.45Å; Y874-K887 HydrophobicContact CE2-CB 4.1Å; Y874-K887 HydrophobicContact CE2-CD 3.69Å; Y874-K887 HydrophobicContact CE2-CG 4.42Å; Y874-K887 PolarHBondContact N-O 3.17Å; Y874-K887 PolarHBondContact O-N 2.78Å; Y874-K887 VanDerWaalsContact OH-CD 3.27Å; Y874-K887 WeakPolarHBondContact OH-CD 3Å |
| 888 | E | 91.4 | Very high | 80.7 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 137.5 | -179.5 | -178.6 | 163 | -160.8 | 0 | 0 | 111 | T871 L872 K873 | T871-E888 HydrophobicContact CG2-CG 3.97Å; T871-E888 WeakPolarHBondContact CG2-OE1 3.42Å; L872-E888 WeakPolarHBondContact O-CA 3.26Å; K873-E888 WeakPolarHBondContact CE-OE1 3.45Å; K873-E888 HydrophobicContact CG-CB 4.12Å; K873-E888 HydrophobicContact CG-CG 3.85Å; K873-E888 IonicContact NZ-OE1 3.71Å; K873-E888 PolarHBondContact NZ-OE1 2.81Å; K873-E888 IonicContact NZ-OE2 2.79Å; K873-E888 PolarHBondContact NZ-OE2 2.77Å |
| 889 | V | 89.5 | Confident | 81.6 | Confident | 52 Ų | 52 | 78.7 Ų | 78.7 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 145.2 | -177.7 | -168.3 | 0 | 0 | 0 | 0 | 108.7 | T871 L872 Y874 F891 | T871-V889 WeakPolarHBondContact CA-O 3.45Å; L872-V889 PolarHBondContact N-O 2.94Å; L872-V889 PolarHBondContact O-N 2.74Å; Y874-V889 HydrophobicContact CE1-CG2 4.3Å; V889-F891 HydrophobicContact CB-CE1 4.39Å; V889-F891 HydrophobicContact CB-CE2 4.41Å; V889-F891 HydrophobicContact CB-CZ 3.9Å; V889-F891 HydrophobicContact CG1-CD1 4.3Å; V889-F891 HydrophobicContact CG1-CE1 3.49Å; V889-F891 VanDerWaalsContact CG1-CE1 3.49Å; V889-F891 HydrophobicContact CG1-CE2 4.31Å; V889-F891 HydrophobicContact CG1-CZ 3.5Å |
| 890 | T | 90.4 | Very high | 83.2 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 45% | 0.454 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 144.7 | 174.8 | 88.1 | 0 | 0 | 0 | 0 | 111.5 | Y870 T871 R916 | Y870-T890 CarbonylContact O-C 3.52Å; Y870-T890 VanDerWaalsContact O-CA 3.32Å; Y870-T890 WeakPolarHBondContact O-CA 3.22Å; Y870-T890 WeakPolarHBondContact O-CB 3.24Å; T871-T890 HydrophobicContact CG2-CG2 4.2Å; T871-T890 WeakPolarHBondContact OG1-CG2 3.42Å; T890-R916 PolarHBondContact OG1-NH1 2.77Å; T890-R916 PolarHBondContact OG1-NH2 2.96Å; T890-R916 VanDerWaalsContact OG1-NH2 3.13Å |
| 891 | F | 89.2 | Confident | 84.5 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 8% | 0.083 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.3 | -174.5 | -49.3 | -71.2 | 0 | 0 | 0 | 111 | W857 G869 Y870 L872 V889 V895 I898 R916 | W857-F891 AromaticContact CH2-CD2 3.76Å; W857-F891 HydrophobicContact CH2-CD2 3.76Å; W857-F891 AromaticContact CH2-CE2 3.78Å; W857-F891 HydrophobicContact CH2-CE2 3.78Å; W857-F891 AromaticContact CZ2-CD2 3.89Å; W857-F891 HydrophobicContact CZ2-CD2 3.89Å; W857-F891 HydrophobicContact CZ2-CE2 4.37Å; G869-F891 CarbonylContact C-O 3.51Å; G869-F891 WeakPolarHBondContact CA-O 3.32Å; Y870-F891 PolarHBondContact N-O 2.93Å; Y870-F891 PolarHBondContact O-N 3.39Å; L872-F891 HydrophobicContact CB-CE2 3.78Å; L872-F891 HydrophobicContact CD2-CE2 4.18Å; L872-F891 HydrophobicContact CD2-CZ 4.49Å; V889-F891 HydrophobicContact CB-CE1 4.39Å; V889-F891 HydrophobicContact CB-CE2 4.41Å; V889-F891 HydrophobicContact CB-CZ 3.9Å; V889-F891 HydrophobicContact CG1-CD1 4.3Å; V889-F891 HydrophobicContact CG1-CE1 3.49Å; V889-F891 VanDerWaalsContact CG1-CE1 3.49Å; V889-F891 HydrophobicContact CG1-CE2 4.31Å; V889-F891 HydrophobicContact CG1-CZ 3.5Å; F891-V895 HydrophobicContact CB-CB 3.87Å; F891-V895 HydrophobicContact CB-CG1 4.03Å; F891-V895 HydrophobicContact CB-CG2 4.24Å; F891-V895 HydrophobicContact CD1-CG1 4.39Å; F891-V895 HydrophobicContact CG-CG1 4.19Å; F891-I898 HydrophobicContact CE1-CB 4.43Å; F891-I898 HydrophobicContact CE1-CD1 3.9Å; F891-I898 HydrophobicContact CE1-CG1 3.84Å; F891-I898 HydrophobicContact CE2-CG2 4.42Å; F891-I898 HydrophobicContact CZ-CB 4.16Å; F891-I898 HydrophobicContact CZ-CD1 4.4Å; F891-I898 HydrophobicContact CZ-CG1 3.82Å; F891-I898 HydrophobicContact CZ-CG2 4.08Å; F891-R916 PolarHBondContact O-NH2 3.02Å |
| 892 | P | 90.5 | Very high | 85.7 | Confident | 76 Ų | 76 | 72.1 Ų | 72.1 | 49% | 0.494 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 166 | 170.8 | -16.3 | 30.8 | 0 | 0 | 0 | 112.8 | N894 V895 | P892-N894 PolarHBondContact O-N 3.29Å; P892-N894 VanDerWaalsContact O-N 3.15Å; P892-V895 PolarHBondContact O-N 3.43Å; P892-V895 VanDerWaalsContact O-N 3.13Å |
| 893 | A | 86.9 | Confident | 86.8 | Confident | 38 Ų | 38 | 66.6 Ų | 66.6 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -15.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L867 | L867-A893 HydrophobicContact CB-CB 3.97Š|
| 894 | N | 86.9 | Confident | 87.1 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -0.2 | 175.9 | 67 | -25.4 | 0 | 0 | 0 | 113.9 | P892 | P892-N894 PolarHBondContact O-N 3.29Å; P892-N894 VanDerWaalsContact O-N 3.15Å |
| 895 | V | 88.6 | Confident | 87.4 | Confident | 37 Ų | 37 | 68.9 Ų | 68.9 | 22% | 0.224 | 40% | 0.403 | C | S | . | . | trans | -95.2 | 121.6 | 178 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | W857 Y870 F891 P892 | W857-V895 HydrophobicContact CH2-CG1 4.26Å; W857-V895 HydrophobicContact CZ2-CG1 3.98Å; W857-V895 WeakPolarHBondContact CZ2-O 3.49Å; W857-V895 PolarHBondContact NE1-O 2.82Å; Y870-V895 WeakPolarHBondContact CD2-O 3.41Å; Y870-V895 WeakPolarHBondContact CE2-O 3.28Å; F891-V895 HydrophobicContact CB-CB 3.87Å; F891-V895 HydrophobicContact CB-CG1 4.03Å; F891-V895 HydrophobicContact CB-CG2 4.24Å; F891-V895 HydrophobicContact CD1-CG1 4.39Å; F891-V895 HydrophobicContact CG-CG1 4.19Å; P892-V895 PolarHBondContact O-N 3.43Å; P892-V895 VanDerWaalsContact O-N 3.13Å | ||
| 896 | T | 89.6 | Confident | 87.2 | Confident | 61 Ų | 61 | 66.5 Ų | 66.5 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -126 | 6.1 | -179.8 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | K856 W857 | K856-T896 WeakPolarHBondContact CA-O 3.49Å; K856-T896 WeakPolarHBondContact CG-O 3.36Å; W857-T896 PolarHBondContact N-O 3.43Å; W857-T896 WeakPolarHBondContact O-CB 3.46Å | ||
| 897 | T | 89.8 | Confident | 87 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 141.7 | 179.7 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | T854 L855 K856 | T854-T897 HydrophobicContact CG2-CG2 3.96Å; L855-T897 CarbonylContact O-C 3.56Å; L855-T897 VanDerWaalsContact O-CA 3.23Å; L855-T897 WeakPolarHBondContact O-CA 3.41Å; L855-T897 WeakPolarHBondContact O-CG2 3.48Å; K856-T897 HydrophobicContact CB-CG2 4.42Å |
| 898 | I | 89.6 | Confident | 87 | Confident | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.246 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 143.5 | 174.6 | -164.4 | 64.6 | 0 | 0 | 0 | 111.3 | T854 L855 W857 L872 F891 | T854-I898 CarbonylContact C-O 3.58Å; T854-I898 WeakPolarHBondContact CA-O 3.36Å; L855-I898 HydrophobicContact CB-CG2 4.43Å; L855-I898 HydrophobicContact CD1-CG2 4.46Å; L855-I898 PolarHBondContact N-O 2.93Å; L855-I898 PolarHBondContact O-N 2.79Å; W857-I898 HydrophobicContact CH2-CB 4.14Å; W857-I898 HydrophobicContact CH2-CG2 3.91Å; W857-I898 HydrophobicContact CZ3-CB 4.32Å; W857-I898 HydrophobicContact CZ3-CG2 3.73Å; L872-I898 HydrophobicContact CD2-CG2 4.12Å; F891-I898 HydrophobicContact CE1-CB 4.43Å; F891-I898 HydrophobicContact CE1-CD1 3.9Å; F891-I898 HydrophobicContact CE1-CG1 3.84Å; F891-I898 HydrophobicContact CE2-CG2 4.42Å; F891-I898 HydrophobicContact CZ-CB 4.16Å; F891-I898 HydrophobicContact CZ-CD1 4.4Å; F891-I898 HydrophobicContact CZ-CG1 3.82Å; F891-I898 HydrophobicContact CZ-CG2 4.08Å |
| 899 | T | 90.1 | Very high | 86.9 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 44% | 0.436 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 119.6 | 167.2 | -55.1 | 0 | 0 | 0 | 0 | 109.7 | T854 T901 | T854-T899 WeakPolarHBondContact CG2-OG1 3.49Å; T854-T899 WeakPolarHBondContact OG1-CG2 3.4Å; T854-T899 PolarHBondContact OG1-OG1 3.18Å; T899-T901 HydrophobicContact CG2-CG2 4.29Å |
| 900 | L | 90.3 | Very high | 86.9 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 143.5 | 168.6 | -59.1 | 179 | 0 | 0 | 0 | 109.2 | T852 L853 L855 L872 Y874 L903 F911 | T852-L900 WeakPolarHBondContact CA-O 3.1Å; T852-L900 VanDerWaalsContact CB-O 3.29Å; T852-L900 WeakPolarHBondContact CB-O 3.41Å; L853-L900 PolarHBondContact N-O 2.76Å; L853-L900 VanDerWaalsContact N-O 3.08Å; L853-L900 PolarHBondContact O-N 2.89Å; L855-L900 HydrophobicContact CD1-CD1 3.55Å; L855-L900 HydrophobicContact CD1-CG 3.8Å; L872-L900 HydrophobicContact CD2-CD1 4.47Å; Y874-L900 HydrophobicContact CD1-CD1 3.95Å; Y874-L900 HydrophobicContact CD2-CD1 4.17Å; Y874-L900 HydrophobicContact CE1-CD1 3.86Å; Y874-L900 HydrophobicContact CE1-CD2 3.95Å; Y874-L900 HydrophobicContact CE2-CD1 4.08Å; Y874-L900 HydrophobicContact CG-CD1 4.11Å; L900-L903 HydrophobicContact CB-CD1 4.16Å; L900-L903 HydrophobicContact CB-CD2 4.49Å; L900-L903 HydrophobicContact CB-CG 4.5Å; L900-F911 HydrophobicContact CD1-CD1 4.29Å; L900-F911 HydrophobicContact CD1-CE1 3.58Å; L900-F911 HydrophobicContact CD1-CZ 4.49Å |
| 901 | T | 86.1 | Confident | 87 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 50% | 0.503 | 32% | 0.32 | S | S | . | . | trans | -135.5 | 165.7 | -176.6 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | D851 T852 T899 L903 | D851-T901 CarbonylContact O-C 3.45Å; T852-T901 HydrophobicContact CG2-CG2 3.88Å; T899-T901 HydrophobicContact CG2-CG2 4.29Å; T901-L903 VanDerWaalsContact C-N 3.28Å; T901-L903 PolarHBondContact O-N 2.8Å | ||
| 902 | S | 84.1 | Confident | 87.2 | Confident | 90 Ų | 90 | 55 Ų | 55 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 56.5 | 43.3 | -175.3 | -55.6 | 0 | 0 | 0 | 0 | 112.5 | D851 | D851-S902 PolarHBondContact O-N 2.73Å; D851-S902 VanDerWaalsContact O-N 3.16Å; D851-S902 PolarHBondContact OD2-N 2.84Å |
| 903 | L | 86.4 | Confident | 87.3 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -88.3 | 159.3 | 166.9 | -55.5 | -178.8 | 0 | 0 | 0 | 109.9 | D851 L853 Y874 L900 T901 Y909 T931 | D851-L903 WeakPolarHBondContact CA-O 3.46Å; D851-L903 WeakPolarHBondContact CB-O 3.27Å; D851-L903 WeakPolarHBondContact O-CB 3.36Å; D851-L903 PolarHBondContact O-N 2.94Å; L853-L903 HydrophobicContact CB-CD1 3.89Å; L853-L903 HydrophobicContact CD1-CD1 3.72Å; L853-L903 HydrophobicContact CG-CD1 3.72Å; Y874-L903 HydrophobicContact CD2-CD2 4.45Å; Y874-L903 HydrophobicContact CE2-CD2 3.7Å; L900-L903 HydrophobicContact CB-CD1 4.16Å; L900-L903 HydrophobicContact CB-CD2 4.49Å; L900-L903 HydrophobicContact CB-CG 4.5Å; T901-L903 VanDerWaalsContact C-N 3.28Å; T901-L903 PolarHBondContact O-N 2.8Å; L903-Y909 HydrophobicContact CB-CE2 3.87Å; L903-Y909 HydrophobicContact CD1-CD2 4.48Å; L903-Y909 HydrophobicContact CD1-CE2 4.44Å; L903-Y909 HydrophobicContact CD2-CE1 4.09Å; L903-Y909 HydrophobicContact CD2-CE2 4.45Å; L903-Y909 HydrophobicContact CG-CE2 4.49Å; L903-T931 HydrophobicContact CB-CG2 3.83Å; L903-T931 HydrophobicContact CD1-CG2 4.12Å |
| 904 | N | 82.4 | Confident | 87.5 | Confident | 99 Ų | 99 | 51.3 Ų | 51.3 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -74 | 138.4 | 176.4 | -67.1 | 0.7 | 0 | 0 | 0 | 109.8 | V907 Y909 T931 | N904-V907 HydrophobicContact CB-CB 4Å; N904-V907 HydrophobicContact CB-CG2 3.67Å; N904-Y909 PolarHBondContact N-OH 3.45Å; N904-T931 WeakPolarHBondContact O-CB 3.26Å; N904-T931 WeakPolarHBondContact O-CG2 3.4Å; N904-T931 PolarHBondContact O-OG1 2.82Å |
| 905 | T | 80.5 | Confident | 87.7 | Confident | 76 Ų | 76 | 44.8 Ų | 44.8 | 47% | 0.466 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 143 | 174.8 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | L850 V907 | L850-T905 HydrophobicContact CB-CG2 4.23Å; L850-T905 WeakPolarHBondContact O-CA 3.48Å; L850-T905 VanDerWaalsContact O-CG2 3.31Å; L850-T905 WeakPolarHBondContact O-CG2 3.49Å; T905-V907 VanDerWaalsContact C-N 3.26Å; T905-V907 PolarHBondContact O-N 3.37Å |
| 906 | S | 76.8 | Confident | 87.8 | Confident | 62 Ų | 62 | 46.1 Ų | 46.1 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 28 | 180 | -47.8 | 0 | 0 | 0 | 0 | 115.4 | T931 A932 M933 | S906-T931 PolarHBondContact N-OG1 3.27Å; S906-T931 VanDerWaalsContact N-OG1 3.07Å; S906-A932 PolarHBondContact N-O 2.94Å; S906-M933 WeakPolarHBondContact OG-CA 3.47Å |
| 907 | V | 81.8 | Confident | 87.8 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 22% | 0.224 | 24% | 0.243 | C | C | . | . | trans | -116.6 | 134.9 | -176.5 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | P876 N904 T905 Y909 S930 T931 | P876-V907 HydrophobicContact CB-CG1 3.65Å; N904-V907 HydrophobicContact CB-CB 4Å; N904-V907 HydrophobicContact CB-CG2 3.67Å; T905-V907 VanDerWaalsContact C-N 3.26Å; T905-V907 PolarHBondContact O-N 3.37Å; V907-Y909 HydrophobicContact CB-CE2 3.97Å; V907-Y909 HydrophobicContact CG1-CD2 4.15Å; V907-Y909 HydrophobicContact CG1-CE2 3.71Å; V907-Y909 WeakPolarHBondContact O-CD2 3.41Å; V907-S930 WeakPolarHBondContact O-CA 3.39Å; V907-T931 PolarHBondContact N-OG1 2.98Å; V907-T931 PolarHBondContact O-N 2.83Å; V907-T931 VanDerWaalsContact O-N 3.1Å; V907-T931 PolarHBondContact O-OG1 2.96Å | ||
| 908 | L | 86.8 | Confident | 87.6 | Confident | 56 Ų | 56 | 48.4 Ų | 48.4 | 29% | 0.293 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 132.9 | 171.3 | 178.7 | 61.4 | 0 | 0 | 0 | 110.2 | P876 V877 E928 | P876-L908 CarbonylContact C-O 3.57Å; P876-L908 WeakPolarHBondContact CA-O 3.32Å; V877-L908 HydrophobicContact CB-CB 4.29Å; V877-L908 HydrophobicContact CB-CD2 4.03Å; V877-L908 HydrophobicContact CB-CG 4.08Å; V877-L908 HydrophobicContact CG1-CD2 4.27Å; V877-L908 HydrophobicContact CG2-CD2 4.27Å; V877-L908 HydrophobicContact CG2-CG 4.15Å; V877-L908 PolarHBondContact N-O 2.83Å; L908-E928 HydrophobicContact CD1-CB 4.29Å |
| 909 | Y | 87.8 | Confident | 87.4 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 144.9 | 173.7 | -76.2 | -92.2 | 0 | 0 | 0 | 110.9 | L853 Y874 H875 P876 L903 N904 V907 F911 E928 A929 T931 | L853-Y909 HydrophobicContact CD1-CD2 4.32Å; Y874-Y909 HydrophobicContact CD2-CD1 4.1Å; Y874-Y909 HydrophobicContact CD2-CE1 4.46Å; H875-Y909 WeakPolarHBondContact O-CA 3.47Å; H875-Y909 WeakPolarHBondContact O-CD1 3.34Å; P876-Y909 HydrophobicContact CB-CD1 4.05Å; P876-Y909 HydrophobicContact CB-CE1 3.65Å; P876-Y909 HydrophobicContact CG-CE1 4.17Å; L903-Y909 HydrophobicContact CB-CE2 3.87Å; L903-Y909 HydrophobicContact CD1-CD2 4.48Å; L903-Y909 HydrophobicContact CD1-CE2 4.44Å; L903-Y909 HydrophobicContact CD2-CE1 4.09Å; L903-Y909 HydrophobicContact CD2-CE2 4.45Å; L903-Y909 HydrophobicContact CG-CE2 4.49Å; N904-Y909 PolarHBondContact N-OH 3.45Å; V907-Y909 HydrophobicContact CB-CE2 3.97Å; V907-Y909 HydrophobicContact CG1-CD2 4.15Å; V907-Y909 HydrophobicContact CG1-CE2 3.71Å; V907-Y909 WeakPolarHBondContact O-CD2 3.41Å; Y909-F911 VanDerWaalsContact CB-CZ 3.41Å; Y909-F911 HydrophobicContact CG-CZ 4.34Å; Y909-F911 WeakPolarHBondContact O-CE2 3.47Å; Y909-E928 WeakPolarHBondContact O-CA 3.49Å; Y909-A929 PolarHBondContact N-O 3.36Å; Y909-A929 PolarHBondContact O-N 2.72Å; Y909-T931 HydrophobicContact CE2-CG2 4.38Å |
| 910 | K | 90.6 | Very high | 87.1 | Confident | 49 Ų | 49 | 49.9 Ų | 49.9 | 21% | 0.213 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.9 | 173.7 | -172.5 | 164.4 | -169.2 | 144 | 0 | 110.8 | Y874 H875 V877 Y912 E928 | Y874-K910 WeakPolarHBondContact CA-O 3.32Å; Y874-K910 WeakPolarHBondContact CB-O 3.3Å; H875-K910 PolarHBondContact N-O 3.06Å; H875-K910 VanDerWaalsContact N-O 3.17Å; H875-K910 PolarHBondContact O-N 3.12Å; V877-K910 HydrophobicContact CG2-CB 4.07Å; K910-Y912 HydrophobicContact CB-CE2 4.34Å; K910-Y912 HydrophobicContact CD-CE2 4.29Å; K910-Y912 HydrophobicContact CG-CE2 3.76Å; K910-E928 HydrophobicContact CB-CG 3.91Å; K910-E928 HydrophobicContact CD-CG 3.97Å; K910-E928 VanDerWaalsContact CD-OE1 3.29Å; K910-E928 WeakPolarHBondContact CD-OE1 3.32Å; K910-E928 VanDerWaalsContact CE-OE1 3.22Å; K910-E928 WeakPolarHBondContact CE-OE1 3.38Å; K910-E928 HydrophobicContact CG-CG 3.67Å; K910-E928 IonicContact NZ-OE1 2.8Å; K910-E928 PolarHBondContact NZ-OE1 3.49Å |
| 911 | F | 92.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.3 | -170.3 | -57.9 | -81.1 | 0 | 0 | 0 | 111.3 | L843 V845 L853 L855 L872 K873 Y874 L900 Y909 T926 E927 A929 | L843-F911 HydrophobicContact CD2-CB 4.24Å; V845-F911 HydrophobicContact CG2-CE2 4.49Å; L853-F911 HydrophobicContact CD1-CE2 4.16Å; L853-F911 HydrophobicContact CD1-CZ 3.69Å; L855-F911 HydrophobicContact CD1-CD1 4.27Å; L855-F911 HydrophobicContact CD1-CE1 4.08Å; L855-F911 HydrophobicContact CD2-CB 3.97Å; L855-F911 HydrophobicContact CD2-CD1 3.51Å; L855-F911 HydrophobicContact CD2-CD2 3.97Å; L855-F911 HydrophobicContact CD2-CE1 4.02Å; L855-F911 HydrophobicContact CD2-CE2 4.41Å; L855-F911 HydrophobicContact CD2-CG 3.51Å; L855-F911 HydrophobicContact CD2-CZ 4.44Å; L872-F911 HydrophobicContact CD1-CB 4.32Å; L872-F911 HydrophobicContact CD1-CD1 4.48Å; K873-F911 WeakPolarHBondContact O-CA 3.22Å; Y874-F911 VanDerWaalsContact CB-CD1 3.41Å; Y874-F911 HydrophobicContact CD2-CE1 4.23Å; Y874-F911 HydrophobicContact CG-CD1 4.19Å; Y874-F911 AromaticContact CG-CE1 3.99Å; Y874-F911 HydrophobicContact CG-CE1 3.99Å; L900-F911 HydrophobicContact CD1-CD1 4.29Å; L900-F911 HydrophobicContact CD1-CE1 3.58Å; L900-F911 HydrophobicContact CD1-CZ 4.49Å; Y909-F911 VanDerWaalsContact CB-CZ 3.41Å; Y909-F911 HydrophobicContact CG-CZ 4.34Å; Y909-F911 WeakPolarHBondContact O-CE2 3.47Å; F911-T926 WeakPolarHBondContact O-CA 3.48Å; F911-T926 WeakPolarHBondContact O-CB 3.23Å; F911-E927 HydrophobicContact CB-CB 4.48Å; F911-E927 WeakPolarHBondContact CD2-O 3.44Å; F911-E927 PolarHBondContact N-O 2.75Å; F911-E927 PolarHBondContact O-N 2.59Å; F911-E927 VanDerWaalsContact O-N 3.13Å; F911-A929 HydrophobicContact CE2-CB 4.15Å |
| 912 | Y | 92.4 | Very high | 86.9 | Confident | 45 Ų | 45 | 49.1 Ų | 49.1 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 116 | 179.9 | -52.3 | -114.1 | 0 | 0 | 0 | 108.3 | L872 K873 H875 K910 E924 I925 T926 | L872-Y912 CarbonylContact C-O 3.55Å; L872-Y912 WeakPolarHBondContact CA-O 3.22Å; K873-Y912 HydrophobicContact CB-CD2 4.5Å; K873-Y912 PolarHBondContact N-O 2.95Å; K873-Y912 PolarHBondContact O-N 2.82Å; H875-Y912 AromaticContact CD2-CE2 3.84Å; H875-Y912 AromaticContact NE2-CE2 3.22Å; H875-Y912 WeakPolarHBondContact NE2-CE2 3.38Å; H875-Y912 AromaticContact NE2-CZ 3.56Å; H875-Y912 PolarHBondContact NE2-OH 3.08Å; H875-Y912 VanDerWaalsContact NE2-OH 3.1Å; K910-Y912 HydrophobicContact CB-CE2 4.34Å; K910-Y912 HydrophobicContact CD-CE2 4.29Å; K910-Y912 HydrophobicContact CG-CE2 3.76Å; Y912-E924 VanDerWaalsContact CD1-OE1 3.28Å; Y912-E924 WeakPolarHBondContact CD1-OE1 3.2Å; Y912-I925 CarbonylContact C-O 3.52Å; Y912-I925 WeakPolarHBondContact CA-O 3.44Å; Y912-T926 HydrophobicContact CD1-CG2 3.38Å; Y912-T926 HydrophobicContact CE1-CG2 3.76Å; Y912-T926 HydrophobicContact CG-CG2 3.96Å |
| 913 | L | 92.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 132.8 | -178.5 | -176.6 | 85.4 | 0 | 0 | 0 | 111.1 | P840 L843 W857 Y870 T871 L872 E924 I925 | P840-L913 HydrophobicContact CB-CD2 4.17Å; P840-L913 HydrophobicContact CG-CD2 4.18Å; L843-L913 HydrophobicContact CD1-CB 4.35Å; L843-L913 HydrophobicContact CD1-CD2 4.25Å; L843-L913 HydrophobicContact CD2-CB 3.94Å; W857-L913 HydrophobicContact CB-CD2 3.37Å; W857-L913 HydrophobicContact CD2-CD1 4.06Å; W857-L913 HydrophobicContact CD2-CD2 3.57Å; W857-L913 HydrophobicContact CD2-CG 4.48Å; W857-L913 HydrophobicContact CE3-CD1 4.2Å; W857-L913 HydrophobicContact CE3-CD2 4.12Å; W857-L913 HydrophobicContact CG-CD2 3.23Å; W857-L913 HydrophobicContact CH2-CD1 4.46Å; W857-L913 HydrophobicContact CZ2-CD1 4.31Å; W857-L913 HydrophobicContact CZ3-CD1 4.39Å; Y870-L913 HydrophobicContact CD1-CD2 4.47Å; T871-L913 WeakPolarHBondContact O-CA 3.3Å; L872-L913 HydrophobicContact CB-CD1 3.99Å; L872-L913 HydrophobicContact CD1-CB 4.24Å; L872-L913 HydrophobicContact CD1-CD1 4.18Å; L913-E924 CarbonylContact O-C 3.58Å; L913-E924 VanDerWaalsContact O-CA 3.23Å; L913-E924 WeakPolarHBondContact O-CA 3.4Å; L913-I925 HydrophobicContact CB-CG2 4.06Å; L913-I925 HydrophobicContact CD2-CG2 4.49Å; L913-I925 PolarHBondContact N-O 2.84Å; L913-I925 WeakPolarHBondContact O-CG2 3.36Å; L913-I925 PolarHBondContact O-N 3.08Å |
| 914 | K | 92.8 | Very high | 87 | Confident | 37 Ų | 37 | 51.5 Ų | 51.5 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 146.5 | 169.9 | 55.5 | -158.7 | 175.6 | -165.8 | 0 | 113.4 | Y870 T871 P921 G922 P923 E924 | Y870-K914 CarbonylContact C-O 3.55Å; Y870-K914 VanDerWaalsContact CA-O 3.24Å; Y870-K914 WeakPolarHBondContact CA-O 3.34Å; T871-K914 PolarHBondContact N-O 2.98Å; T871-K914 PolarHBondContact O-N 2.02Å; K914-P921 HydrophobicContact CD-CB 3.84Å; K914-P921 HydrophobicContact CG-CB 4.03Å; K914-G922 WeakPolarHBondContact CB-O 3.16Å; K914-P923 VanDerWaalsContact CB-O 3.28Å; K914-P923 WeakPolarHBondContact CB-O 3.29Å; K914-E924 HydrophobicContact CB-CB 4.09Å; K914-E924 HydrophobicContact CD-CB 4.18Å; K914-E924 WeakPolarHBondContact CD-OE2 3.23Å; K914-E924 WeakPolarHBondContact CE-OE2 3.17Å; K914-E924 IonicContact NZ-OE2 3.55Å; K914-E924 PolarHBondContact NZ-OE2 2.83Å |
| 915 | A | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 165.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P837 P840 P860 L867 G869 Y870 P921 G922 | P837-A915 HydrophobicContact CB-CB 4.04Å; P837-A915 HydrophobicContact CG-CB 3.63Å; P840-A915 HydrophobicContact CG-CB 4.48Å; P860-A915 HydrophobicContact CB-CB 4.37Å; P860-A915 HydrophobicContact CG-CB 4.08Å; L867-A915 HydrophobicContact CD2-CB 4.09Å; G869-A915 CarbonylContact O-C 3.54Å; Y870-A915 HydrophobicContact CD1-CB 4.03Å; Y870-A915 HydrophobicContact CE1-CB 3.89Å; A915-P921 CarbonylContact O-C 3.56Å; A915-P921 VanDerWaalsContact O-CA 3.26Å; A915-P921 WeakPolarHBondContact O-CA 3.28Å; A915-G922 PolarHBondContact O-N 2.78Å |
| 916 | R | 90.7 | Very high | 87.7 | Confident | 64 Ų | 64 | 48.1 Ų | 48.1 | 24% | 0.242 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 143.3 | 173.3 | 46.7 | 165.3 | -179.9 | -166.8 | -7.1 | 112.1 | L867 T868 G869 T890 F891 G920 | L867-R916 WeakPolarHBondContact CA-O 3.37Å; T868-R916 PolarHBondContact N-O 2.87Å; T868-R916 WeakPolarHBondContact OG1-CD 3.48Å; T868-R916 WeakPolarHBondContact OG1-CG 3.28Å; T868-R916 PolarHBondContact OG1-O 3.35Å; T868-R916 VanDerWaalsContact OG1-O 3.14Å; G869-R916 VanDerWaalsContact C-CG 3.4Å; G869-R916 PolarHBondContact N-O 2.56Å; G869-R916 WeakPolarHBondContact O-CG 3.33Å; G869-R916 PolarHBondContact O-N 3.06Å; T890-R916 PolarHBondContact OG1-NH1 2.77Å; T890-R916 PolarHBondContact OG1-NH2 2.96Å; T890-R916 VanDerWaalsContact OG1-NH2 3.13Å; F891-R916 PolarHBondContact O-NH2 3.02Å; R916-G920 WeakPolarHBondContact CA-O 3.37Å |
| 917 | T | 90.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | -105.1 | -154.9 | 168.2 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | G835 P837 N863 R866 L867 T868 K919 G920 | G835-T917 PolarHBondContact O-OG1 2.77Å; P837-T917 HydrophobicContact CB-CG2 4.01Å; P837-T917 HydrophobicContact CG-CG2 3.97Å; N863-T917 WeakPolarHBondContact O-CG2 3.48Å; R866-T917 WeakPolarHBondContact O-CA 3.49Å; L867-T917 HydrophobicContact CD2-CG2 4.48Å; T868-T917 VanDerWaalsContact CG2-O 3.31Å; T868-T917 WeakPolarHBondContact CG2-O 3.25Å; T868-T917 PolarHBondContact OG1-O 2.98Å; T917-K919 PolarHBondContact OG1-N 2.87Å; T917-G920 PolarHBondContact N-O 2.88Å | ||
| 918 | R | 85.6 | Confident | 88.7 | Confident | 167 Ų | 167 | 50.9 Ų | 50.9 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -82.1 | -18.4 | 166.9 | -74.8 | 161.5 | 153.8 | -175.2 | -5.9 | 114.3 | E834 T868 | E834-R918 WeakPolarHBondContact OE1-CD 3.49Å; E834-R918 IonicContact OE1-NH1 2.64Å; E834-R918 PolarHBondContact OE1-NH1 2.83Å; T868-R918 HydrophobicContact CG2-CG 3.95Å |
| 919 | K | 84.2 | Confident | 88.7 | Confident | 133 Ų | 133 | 48.6 Ų | 48.6 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -80.5 | -39 | 177.2 | -68.1 | -58.8 | -166 | 174.7 | 0 | 112.5 | E834 V836 T917 | E834-K919 HydrophobicContact CB-CG 4.04Å; E834-K919 WeakPolarHBondContact O-CE 3.3Å; E834-K919 WeakPolarHBondContact O-CG 3.41Å; V836-K919 HydrophobicContact CG1-CB 4.31Å; T917-K919 PolarHBondContact OG1-N 2.87Å |
| 920 | G | 83.8 | Confident | 88.5 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 18% | 0.175 | 26% | 0.255 | C | S | . | . | trans | 169.3 | -176 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R916 T917 | R916-G920 WeakPolarHBondContact CA-O 3.37Å; T917-G920 PolarHBondContact N-O 2.88Å | ||
| 921 | P | 85.5 | Confident | 88.2 | Confident | 68 Ų | 68 | 48.7 Ų | 48.7 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 148.9 | 168.4 | 33.7 | -34.1 | 0 | 0 | 0 | 111.4 | K914 A915 | K914-P921 HydrophobicContact CD-CB 3.84Å; K914-P921 HydrophobicContact CG-CB 4.03Å; A915-P921 CarbonylContact O-C 3.56Å; A915-P921 VanDerWaalsContact O-CA 3.26Å; A915-P921 WeakPolarHBondContact O-CA 3.28Å |
| 922 | G | 86.2 | Confident | 87.4 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 10% | 0.103 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -172 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P837 K914 A915 | P837-G922 WeakPolarHBondContact O-CA 3.26Å; K914-G922 WeakPolarHBondContact CB-O 3.16Å; A915-G922 PolarHBondContact O-N 2.78Å |
| 923 | P | 84.2 | Confident | 86.1 | Confident | 71 Ų | 71 | 55 Ų | 55 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 159 | 172.4 | 30.4 | -34.5 | 0 | 0 | 0 | 111.6 | P837 L839 K914 | P837-P923 WeakPolarHBondContact O-CD 3.46Å; L839-P923 HydrophobicContact CB-CG 4.03Å; L839-P923 HydrophobicContact CD1-CB 4.07Å; L839-P923 HydrophobicContact CD1-CG 4.04Å; K914-P923 VanDerWaalsContact CB-O 3.28Å; K914-P923 WeakPolarHBondContact CB-O 3.29Å |
| 924 | E | 89.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 60 Ų | 60 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.4 | -177.3 | 44.9 | -164.7 | -121.1 | 0 | 0 | 113.7 | L839 Y912 L913 K914 | L839-E924 VanDerWaalsContact CD1-C 3.48Å; Y912-E924 VanDerWaalsContact CD1-OE1 3.28Å; Y912-E924 WeakPolarHBondContact CD1-OE1 3.2Å; L913-E924 CarbonylContact O-C 3.58Å; L913-E924 VanDerWaalsContact O-CA 3.23Å; L913-E924 WeakPolarHBondContact O-CA 3.4Å; K914-E924 HydrophobicContact CB-CB 4.09Å; K914-E924 HydrophobicContact CD-CB 4.18Å; K914-E924 WeakPolarHBondContact CD-OE2 3.23Å; K914-E924 WeakPolarHBondContact CE-OE2 3.17Å; K914-E924 IonicContact NZ-OE2 3.55Å; K914-E924 PolarHBondContact NZ-OE2 2.83Å |
| 925 | I | 87.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 18% | 0.179 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 142.8 | 169.2 | -172.8 | 163.5 | 0 | 0 | 0 | 109.1 | L839 P840 L843 Y912 L913 | L839-I925 HydrophobicContact CD1-CB 3.92Å; L839-I925 HydrophobicContact CD2-CB 4.49Å; L839-I925 HydrophobicContact CG-CB 4.16Å; P840-I925 HydrophobicContact CB-CG2 4.03Å; P840-I925 HydrophobicContact CG-CG2 4.11Å; L843-I925 HydrophobicContact CB-CD1 4.4Å; L843-I925 HydrophobicContact CB-CG1 4.3Å; L843-I925 HydrophobicContact CB-CG2 3.73Å; L843-I925 HydrophobicContact CD2-CG2 4.33Å; Y912-I925 CarbonylContact C-O 3.52Å; Y912-I925 WeakPolarHBondContact CA-O 3.44Å; L913-I925 HydrophobicContact CB-CG2 4.06Å; L913-I925 HydrophobicContact CD2-CG2 4.49Å; L913-I925 PolarHBondContact N-O 2.84Å; L913-I925 WeakPolarHBondContact O-CG2 3.36Å; L913-I925 PolarHBondContact O-N 3.08Å |
| 926 | T | 90.1 | Very high | 80.6 | Confident | 70 Ų | 70 | 68.3 Ų | 68.3 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.2 | -175.9 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | F911 Y912 | F911-T926 WeakPolarHBondContact O-CA 3.48Å; F911-T926 WeakPolarHBondContact O-CB 3.23Å; Y912-T926 HydrophobicContact CD1-CG2 3.38Å; Y912-T926 HydrophobicContact CE1-CG2 3.76Å; Y912-T926 HydrophobicContact CG-CG2 3.96Å |
| 927 | E | 90.1 | Very high | 78.2 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 31% | 0.308 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 156 | 179 | 178.3 | 66.9 | 138.8 | 0 | 0 | 109.6 | L843 S844 V845 F911 | L843-E927 HydrophobicContact CD2-CB 3.67Å; L843-E927 HydrophobicContact CG-CB 3.85Å; S844-E927 WeakPolarHBondContact CA-OE1 3.29Å; V845-E927 HydrophobicContact CG2-CG 3.94Å; F911-E927 HydrophobicContact CB-CB 4.48Å; F911-E927 WeakPolarHBondContact CD2-O 3.44Å; F911-E927 PolarHBondContact N-O 2.75Å; F911-E927 PolarHBondContact O-N 2.59Å; F911-E927 VanDerWaalsContact O-N 3.13Å |
| 928 | E | 90.5 | Very high | 75.6 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 136.2 | 178.6 | -75.9 | -178.3 | -148.5 | 0 | 0 | 112.2 | L908 Y909 K910 | L908-E928 HydrophobicContact CD1-CB 4.29Å; Y909-E928 WeakPolarHBondContact O-CA 3.49Å; K910-E928 HydrophobicContact CB-CG 3.91Å; K910-E928 HydrophobicContact CD-CG 3.97Å; K910-E928 VanDerWaalsContact CD-OE1 3.29Å; K910-E928 WeakPolarHBondContact CD-OE1 3.32Å; K910-E928 VanDerWaalsContact CE-OE1 3.22Å; K910-E928 WeakPolarHBondContact CE-OE1 3.38Å; K910-E928 HydrophobicContact CG-CG 3.67Å; K910-E928 IonicContact NZ-OE1 2.8Å; K910-E928 PolarHBondContact NZ-OE1 3.49Å |
| 929 | A | 85.6 | Confident | 73 | Confident | 7 Ų | 7 | 81.3 Ų | 81.3 | 6% | 0.058 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 142.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V845 L853 Y909 F911 | V845-A929 HydrophobicContact CB-CB 3.91Å; V845-A929 HydrophobicContact CG1-CB 3.98Å; V845-A929 HydrophobicContact CG2-CB 3.56Å; L853-A929 HydrophobicContact CD1-CB 4.3Å; L853-A929 HydrophobicContact CD2-CB 4.42Å; Y909-A929 PolarHBondContact N-O 3.36Å; Y909-A929 PolarHBondContact O-N 2.72Å; F911-A929 HydrophobicContact CE2-CB 4.15Å |
| 930 | S | 84.6 | Confident | 71 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 39% | 0.385 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 145.7 | 173.5 | -57.8 | 0 | 0 | 0 | 0 | 112.4 | H848 V907 | H848-S930 PolarHBondContact ND1-O 2.7Å; V907-S930 WeakPolarHBondContact O-CA 3.39Å |
| 931 | T | 83.8 | Confident | 68.3 | Low | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.037 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 156 | 162.2 | 47.8 | 0 | 0 | 0 | 0 | 111.3 | L850 L853 L903 N904 S906 V907 Y909 | L850-T931 WeakPolarHBondContact O-CB 3.28Å; L853-T931 HydrophobicContact CD1-CG2 4.25Å; L853-T931 HydrophobicContact CG-CG2 4.1Å; L903-T931 HydrophobicContact CB-CG2 3.83Å; L903-T931 HydrophobicContact CD1-CG2 4.12Å; N904-T931 WeakPolarHBondContact O-CB 3.26Å; N904-T931 WeakPolarHBondContact O-CG2 3.4Å; N904-T931 PolarHBondContact O-OG1 2.82Å; S906-T931 PolarHBondContact N-OG1 3.27Å; S906-T931 VanDerWaalsContact N-OG1 3.07Å; V907-T931 PolarHBondContact N-OG1 2.98Å; V907-T931 PolarHBondContact O-N 2.83Å; V907-T931 VanDerWaalsContact O-N 3.1Å; V907-T931 PolarHBondContact O-OG1 2.96Å; Y909-T931 HydrophobicContact CE2-CG2 4.38Å |
| 932 | A | 75.9 | Confident | 65.7 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 28% | 0.281 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 151.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G849 L850 S906 | G849-A932 WeakPolarHBondContact O-CB 3.37Å; G849-A932 PolarHBondContact O-N 3.48Å; L850-A932 HydrophobicContact CD2-CB 4.15Å; S906-A932 PolarHBondContact N-O 2.94Å |
| 933 | M | 65.3 | Low | 62.7 | Low | 144 Ų | 144 | 97.2 Ų | 97.2 | 71% | 0.709 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -81 | 133.4 | 178.2 | -69.8 | -173.6 | 175.6 | 0 | 0 | 112.2 | S906 | S906-M933 WeakPolarHBondContact OG-CA 3.47Š|
| 934 | D | 59.1 | Low | 60.1 | Low | 103 Ų | 103 | 99.2 Ų | 99.2 | 55% | 0.551 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.1 | 162.9 | -173.8 | -0 | 0 | 0 | 0 | 109.7 | A936 | D934-A936 VanDerWaalsContact OD1-CB 3.29Å; D934-A936 WeakPolarHBondContact OD1-CB 3.5Å; D934-A936 PolarHBondContact OD1-N 3.47Å |
| 935 | T | 54.7 | Low | 57.1 | Low | 130 Ų | 130 | 99.2 Ų | 99.2 | 80% | 0.798 | 57% | 0.57 | S | S | * | * | trans | -113.8 | 9.1 | -175.6 | 45.5 | 0 | 0 | 0 | 0 | 113 | L937 | T935-L937 PolarHBondContact O-N 2.89Š| ||
| 936 | A | 45.3 | Very low | 54.2 | Low | 82 Ų | 82 | 107.4 Ų | 107.4 | 68% | 0.678 | 61% | 0.605 | S | S | * | * | trans | -73 | -3.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D934 | D934-A936 VanDerWaalsContact OD1-CB 3.29Å; D934-A936 WeakPolarHBondContact OD1-CB 3.5Å; D934-A936 PolarHBondContact OD1-N 3.47Å | ||
| 937 | L | 40.7 | Very low | 51.4 | Low | 152 Ų | 152 | 110.7 Ų | 110.7 | 80% | 0.796 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -127.7 | 131 | -179.8 | -68.1 | 174.1 | 0 | 0 | 0 | 112.3 | T935 | T935-L937 PolarHBondContact O-N 2.89Š|
| 938 | I | 36.5 | Very low | 48.4 | Very low | 171 Ų | 171 | 113.7 Ų | 113.7 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | trans | 104.5 | 91.1 | 173 | -55.8 | 161.9 | 0 | 0 | 0 | 115.4 | ||||
| 939 | Q | 29.1 | Very low | 45.7 | Very low | 186 Ų | 186 | 114.5 Ų | 114.5 | 87% | 0.869 | 66% | 0.663 | S | S | * | * | trans | -156.9 | 159.6 | 149.8 | -85.1 | -154.5 | 10.7 | 0 | 0 | 108.8 | ||||
| 940 | P | 43.2 | Very low | 43.3 | Very low | 96 Ų | 96 | 119.4 Ų | 119.4 | 62% | 0.623 | 70% | 0.703 | S | S | * | * | cis | -135.6 | 158.8 | -44 | 37.4 | -22.4 | 0 | 0 | 0 | 112.5 | ||||
| 941 | T | 27.6 | Very low | 41.1 | Very low | 145 Ų | 145 | 119 Ų | 119 | 89% | 0.89 | 71% | 0.708 | S | S | * | * | trans | -124 | 112.9 | 164.4 | -56 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 942 | I | 29.3 | Very low | 39.4 | Very low | 143 Ų | 143 | 120.6 Ų | 120.6 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | trans | -119.9 | 131.2 | 175.1 | -64.3 | 175.3 | 0 | 0 | 0 | 108.7 | ||||
| 943 | Q | 24.4 | Very low | 38.2 | Very low | 179 Ų | 179 | 123.4 Ų | 123.4 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | trans | -110.1 | 146.9 | 153.5 | -83.7 | -81 | -19 | 0 | 0 | 107.8 | ||||
| 944 | P | 30.3 | Very low | 37.7 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | trans | -96.8 | 165.4 | -147.8 | 37.2 | -37.2 | 0 | 0 | 0 | 113.7 | ||||
| 945 | G | 25.9 | Very low | 37.7 | Very low | 75 Ų | 75 | 114.2 Ų | 114.2 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | trans | 166 | -22.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 946 | K | 25.4 | Very low | 37.9 | Very low | 208 Ų | 208 | 112.5 Ų | 112.5 | 90% | 0.904 | 68% | 0.681 | S | S | * | * | trans | -163 | 127.7 | 171.2 | -120.2 | 170.3 | -176.6 | -179.5 | 0 | 113.3 | ||||
| 947 | V | 31.9 | Very low | 38.9 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 84% | 0.836 | 65% | 0.653 | S | S | * | * | trans | -118.3 | 122.6 | 173 | 175.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 948 | T | 27.9 | Very low | 40.5 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 80% | 0.798 | 64% | 0.641 | S | S | * | * | trans | -149.2 | 99.3 | 154.3 | 42.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 949 | S | 33.9 | Very low | 42.3 | Very low | 107 Ų | 107 | 100 Ų | 100 | 75% | 0.748 | 61% | 0.609 | S | S | * | * | trans | 29 | 101.5 | 153.4 | 56.5 | 0 | 0 | 0 | 0 | 118.7 | G951 | S949-G951 PolarHBondContact O-N 3.39Š| ||
| 950 | A | 34 | Very low | 44.3 | Very low | 111 Ų | 111 | 94.6 Ų | 94.6 | 92% | 0.917 | 59% | 0.592 | S | S | * | * | trans | -76.2 | 107.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 951 | G | 38.9 | Very low | 45.6 | Very low | 46 Ų | 46 | 93 Ų | 93 | 47% | 0.474 | 58% | 0.58 | S | S | . | * | trans | -83.4 | 174.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | S949 | S949-G951 PolarHBondContact O-N 3.39Š| ||
| 952 | S | 47.1 | Very low | 47.4 | Very low | 39 Ų | 39 | 88.5 Ų | 88.5 | 27% | 0.273 | 56% | 0.555 | S | S | . | * | trans | -61.2 | 141.3 | 173 | -48.1 | 0 | 0 | 0 | 0 | 111 | H1028 | S952-H1028 PolarHBondContact N-CE1 2.86Å; S952-H1028 PolarHBondContact N-NE2 2.96Å; S952-H1028 PolarHBondContact O-CE1 2.81Å; S952-H1028 PolarHBondContact O-ND1 2.84Å | ||
| 953 | V | 51.3 | Low | 48.9 | Very low | 93 Ų | 93 | 91.7 Ų | 91.7 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.7 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | F973 | V953-F973 PolarHBondContact O-N 2.85Å; V953-F973 VanDerWaalsContact O-N 3.07Å |
| 954 | F | 55.6 | Low | 50.4 | Low | 28 Ų | 28 | 89.6 Ų | 89.6 | 12% | 0.123 | 56% | 0.557 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -82 | 138.4 | 159.9 | -79 | -84.1 | 0 | 0 | 0 | 108.9 | Y972 L979 V1017 A1019 H1028 T1030 | F954-Y972 AromaticContact CD1-CD2 3.49Å; F954-Y972 HydrophobicContact CD1-CD2 3.49Å; F954-Y972 VanDerWaalsContact CD1-CD2 3.49Å; F954-Y972 HydrophobicContact CD1-CE2 4.45Å; F954-Y972 HydrophobicContact CD1-CG 4.02Å; F954-Y972 AromaticContact CD2-CD2 4Å; F954-Y972 HydrophobicContact CD2-CD2 4Å; F954-Y972 HydrophobicContact CD2-CE2 4.25Å; F954-Y972 AromaticContact CE1-CD2 3.43Å; F954-Y972 HydrophobicContact CE1-CD2 3.43Å; F954-Y972 VanDerWaalsContact CE1-CD2 3.43Å; F954-Y972 HydrophobicContact CE1-CE2 4.18Å; F954-Y972 AromaticContact CE1-CG 3.81Å; F954-Y972 HydrophobicContact CE1-CG 3.81Å; F954-Y972 AromaticContact CE2-CD2 3.94Å; F954-Y972 HydrophobicContact CE2-CD2 3.94Å; F954-Y972 AromaticContact CE2-CE2 3.98Å; F954-Y972 HydrophobicContact CE2-CE2 3.98Å; F954-Y972 AromaticContact CG-CD2 3.79Å; F954-Y972 HydrophobicContact CG-CD2 3.79Å; F954-Y972 HydrophobicContact CG-CE2 4.49Å; F954-Y972 AromaticContact CZ-CD2 3.66Å; F954-Y972 HydrophobicContact CZ-CD2 3.66Å; F954-Y972 AromaticContact CZ-CE2 3.94Å; F954-Y972 HydrophobicContact CZ-CE2 3.94Å; F954-Y972 HydrophobicContact CZ-CG 4.34Å; F954-L979 HydrophobicContact CE1-CD2 3.92Å; F954-L979 HydrophobicContact CZ-CD2 3.75Å; F954-V1017 HydrophobicContact CE1-CB 4.11Å; F954-V1017 HydrophobicContact CE1-CG1 3.82Å; F954-V1017 HydrophobicContact CZ-CG1 4.2Å; F954-A1019 HydrophobicContact CE2-CB 4.2Å; F954-A1019 HydrophobicContact CZ-CB 4.05Å; F954-H1028 HydrophobicContact CD2-CB 4.05Å; F954-H1028 HydrophobicContact CE2-CB 3.72Å; F954-T1030 HydrophobicContact CB-CG2 3.74Å; F954-T1030 HydrophobicContact CD1-CG2 3.55Å; F954-T1030 HydrophobicContact CD2-CG2 3.93Å; F954-T1030 HydrophobicContact CE1-CG2 4.05Å; F954-T1030 HydrophobicContact CE2-CG2 4.38Å; F954-T1030 HydrophobicContact CG-CG2 3.49Å; F954-T1030 VanDerWaalsContact CG-CG2 3.49Å; F954-T1030 HydrophobicContact CZ-CG2 4.44Å |
| 955 | G | 58.5 | Low | 52.2 | Low | 26 Ų | 26 | 85 Ų | 85 | 27% | 0.268 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -160.2 | 166 | 0 | 0 | 0 | 0 | 0 | 111.5 | E971 | G955-E971 PolarHBondContact N-O 3.1Å |
| 956 | T | 58.7 | Low | 54.7 | Low | 94 Ų | 94 | 81.6 Ų | 81.6 | 58% | 0.577 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 137.1 | 178.2 | 32 | 0 | 0 | 0 | 0 | 112.4 | ||
| 957 | V | 66.4 | Low | 57.3 | Low | 17 Ų | 17 | 73.6 Ų | 73.6 | 10% | 0.103 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.5 | 165.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | I968 S969 W970 V1017 T1030 V1033 | V957-I968 HydrophobicContact CG1-CG2 3.71Å; V957-S969 CarbonylContact C-O 3.57Å; V957-S969 WeakPolarHBondContact CA-O 3.28Å; V957-W970 HydrophobicContact CG2-CB 3.96Å; V957-V1017 HydrophobicContact CG1-CG2 4.41Å; V957-V1017 HydrophobicContact CG2-CG2 4.16Å; V957-T1030 HydrophobicContact CG2-CG2 3.49Å; V957-T1030 VanDerWaalsContact CG2-CG2 3.49Å; V957-V1033 HydrophobicContact CB-CG2 4.13Å; V957-V1033 HydrophobicContact CG1-CG2 4.3Å |
| 958 | N | 73.8 | Confident | 59.7 | Low | 100 Ų | 100 | 67 Ų | 67 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.4 | 171.8 | -69.8 | -46.6 | 0 | 0 | 0 | 109.3 | I968 S969 | N958-I968 CarbonylContact O-C 3.54Å; N958-I968 WeakPolarHBondContact O-CA 3.48Å; N958-S969 PolarHBondContact N-O 2.86Å; N958-S969 PolarHBondContact O-N 2.75Å |
| 959 | A | 74.1 | Confident | 62.1 | Low | 26 Ų | 26 | 63.2 Ų | 63.2 | 22% | 0.215 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 135.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.4 | L966 V967 I968 V1033 V1035 | A959-L966 HydrophobicContact CB-CD1 4.34Å; A959-V967 CarbonylContact C-O 3.58Å; A959-V967 WeakPolarHBondContact CA-O 3.4Å; A959-I968 HydrophobicContact CB-CD1 4.38Å; A959-I968 HydrophobicContact CB-CG1 3.91Å; A959-I968 HydrophobicContact CB-CG2 4.44Å; A959-V1033 HydrophobicContact CB-CG1 4.29Å; A959-V1035 HydrophobicContact CB-CG2 3.57Å |
| 960 | S | 71.6 | Confident | 64.2 | Low | 73 Ų | 73 | 58.5 Ų | 58.5 | 51% | 0.51 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 149.2 | -175.8 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | V967 | S960-V967 PolarHBondContact N-O 2.79Å; S960-V967 PolarHBondContact O-N 2.89Å; S960-V967 VanDerWaalsContact O-O 3.12Å |
| 961 | V | 70.1 | Confident | 65.7 | Low | 62 Ų | 62 | 58 Ų | 58 | 38% | 0.376 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.2 | -177.7 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | L966 V1035 | V961-L966 HydrophobicContact CG2-CD1 3.93Å; V961-V1035 HydrophobicContact CG2-CG1 3.76Å |
| 962 | S | 66.8 | Low | 66.8 | Low | 51 Ų | 51 | 56.9 Ų | 56.9 | 36% | 0.357 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 170.3 | 171.6 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | E964 G965 V967 | S962-E964 PolarHBondContact O-N 3.07Å; S962-E964 PolarHBondContact OG-N 2.95Å; S962-G965 PolarHBondContact N-O 2.73Å; S962-G965 PolarHBondContact O-N 2.65Å; S962-G965 VanDerWaalsContact O-N 3.13Å; S962-G965 PolarHBondContact OG-N 2.71Å; S962-G965 PolarHBondContact OG-O 3.44Å; S962-G965 VanDerWaalsContact OG-O 3.05Å; S962-V967 WeakPolarHBondContact OG-CG2 3.13Å |
| 963 | E | 60 | Low | 67.2 | Low | 209 Ų | 209 | 62 Ų | 62 | 98% | 0.977 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.5 | 176.7 | -58.6 | -172 | 162.2 | 0 | 0 | 113 | ||
| 964 | E | 56.5 | Low | 67.3 | Low | 136 Ų | 136 | 59 Ų | 59 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.5 | 177.2 | -72.9 | -163.9 | -154.8 | 0 | 0 | 114.8 | S962 K1005 | S962-E964 PolarHBondContact O-N 3.07Å; S962-E964 PolarHBondContact OG-N 2.95Å; E964-K1005 WeakPolarHBondContact O-CD 3.39Å; E964-K1005 WeakPolarHBondContact O-CE 3.2Å; E964-K1005 VanDerWaalsContact O-CG 3.32Å; E964-K1005 WeakPolarHBondContact O-CG 3.31Å; E964-K1005 IonicContact OE2-NZ 3.65Å; E964-K1005 PolarHBondContact OE2-NZ 2.71Å |
| 965 | G | 68.1 | Low | 67 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 18% | 0.175 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -169.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | S962 V967 I1004 | S962-G965 PolarHBondContact N-O 2.73Å; S962-G965 PolarHBondContact O-N 2.65Å; S962-G965 VanDerWaalsContact O-N 3.13Å; S962-G965 PolarHBondContact OG-N 2.71Å; S962-G965 PolarHBondContact OG-O 3.44Å; S962-G965 VanDerWaalsContact OG-O 3.05Å; G965-V967 PolarHBondContact O-N 2.85Å; G965-I1004 WeakPolarHBondContact CA-O 3.37Å |
| 966 | L | 78.6 | Confident | 66.8 | Low | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 108.4 | 176.2 | 178.1 | 63.7 | 0 | 0 | 0 | 109.4 | A959 V961 I968 T1003 I1004 L1007 V1015 V1035 | A959-L966 HydrophobicContact CB-CD1 4.34Å; V961-L966 HydrophobicContact CG2-CD1 3.93Å; L966-I968 HydrophobicContact CD2-CD1 4.14Å; L966-I968 HydrophobicContact CG-CD1 4.18Å; L966-I968 HydrophobicContact CG-CG1 4.08Å; L966-T1003 CarbonylContact O-C 3.58Å; L966-T1003 WeakPolarHBondContact O-CA 3.01Å; L966-I1004 HydrophobicContact CD2-CD1 4.46Å; L966-I1004 PolarHBondContact N-O 3.2Å; L966-I1004 PolarHBondContact O-N 3.27Å; L966-L1007 HydrophobicContact CB-CD1 3.61Å; L966-L1007 HydrophobicContact CD2-CD1 3.73Å; L966-L1007 HydrophobicContact CG-CD1 4.33Å; L966-V1015 HydrophobicContact CD2-CG2 3.92Å; L966-V1035 HydrophobicContact CD1-CB 3.96Å; L966-V1035 HydrophobicContact CD1-CG1 3.7Å; L966-V1035 HydrophobicContact CD1-CG2 4.28Å |
| 967 | V | 80.1 | Confident | 66.5 | Low | 40 Ų | 40 | 71.7 Ų | 71.7 | 24% | 0.242 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 134.5 | 177 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | A959 S960 S962 G965 T1003 | A959-V967 CarbonylContact C-O 3.58Å; A959-V967 WeakPolarHBondContact CA-O 3.4Å; S960-V967 PolarHBondContact N-O 2.79Å; S960-V967 PolarHBondContact O-N 2.89Å; S960-V967 VanDerWaalsContact O-O 3.12Å; S962-V967 WeakPolarHBondContact OG-CG2 3.13Å; G965-V967 PolarHBondContact O-N 2.85Å; V967-T1003 HydrophobicContact CG2-CG2 3.98Å |
| 968 | I | 81.4 | Confident | 66.4 | Low | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 135.2 | -177.9 | -54.1 | -171.3 | 0 | 0 | 0 | 108.5 | V957 N958 A959 L966 W970 V981 S1001 H1002 I1004 V1015 | V957-I968 HydrophobicContact CG1-CG2 3.71Å; N958-I968 CarbonylContact O-C 3.54Å; N958-I968 WeakPolarHBondContact O-CA 3.48Å; A959-I968 HydrophobicContact CB-CD1 4.38Å; A959-I968 HydrophobicContact CB-CG1 3.91Å; A959-I968 HydrophobicContact CB-CG2 4.44Å; L966-I968 HydrophobicContact CD2-CD1 4.14Å; L966-I968 HydrophobicContact CG-CD1 4.18Å; L966-I968 HydrophobicContact CG-CG1 4.08Å; I968-W970 HydrophobicContact CG2-CE3 4.24Å; I968-W970 HydrophobicContact CG2-CZ3 4.45Å; I968-V981 HydrophobicContact CD1-CG1 4.3Å; I968-S1001 CarbonylContact O-C 3.54Å; I968-S1001 WeakPolarHBondContact O-CA 3.42Å; I968-S1001 WeakPolarHBondContact O-CB 3.37Å; I968-H1002 PolarHBondContact N-O 2.71Å; I968-H1002 PolarHBondContact O-N 3.19Å; I968-I1004 HydrophobicContact CD1-CD1 3.68Å; I968-V1015 HydrophobicContact CD1-CB 3.72Å; I968-V1015 HydrophobicContact CD1-CG1 3.2Å; I968-V1015 HydrophobicContact CD1-CG2 4.05Å |
| 969 | S | 78.8 | Confident | 66.4 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152 | 176.8 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | V957 N958 H1000 | V957-S969 CarbonylContact C-O 3.57Å; V957-S969 WeakPolarHBondContact CA-O 3.28Å; N958-S969 PolarHBondContact N-O 2.86Å; N958-S969 PolarHBondContact O-N 2.75Å; S969-H1000 CarbonylContact C-O 3.55Å; S969-H1000 WeakPolarHBondContact CA-O 3.27Å; S969-H1000 WeakPolarHBondContact CB-O 3.29Å |
| 970 | W | 78.3 | Confident | 66.6 | Low | 8 Ų | 8 | 72 Ų | 72 | 3% | 0.03 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 156.2 | -177.7 | 62 | 88.3 | 0 | 0 | 0 | 112 | V957 I968 V981 V996 T999 H1000 H1002 V1017 | V957-W970 HydrophobicContact CG2-CB 3.96Å; I968-W970 HydrophobicContact CG2-CE3 4.24Å; I968-W970 HydrophobicContact CG2-CZ3 4.45Å; W970-V981 HydrophobicContact CH2-CG2 3.95Å; W970-V981 HydrophobicContact CZ3-CG2 3.87Å; W970-V996 HydrophobicContact CH2-CB 4.25Å; W970-V996 HydrophobicContact CH2-CG1 3.91Å; W970-V996 HydrophobicContact CH2-CG2 4.04Å; W970-V996 HydrophobicContact CZ2-CB 4.36Å; W970-V996 HydrophobicContact CZ2-CG1 4.08Å; W970-T999 WeakPolarHBondContact CZ2-O 3.28Å; W970-H1000 PolarHBondContact N-O 3.03Å; W970-H1000 PolarHBondContact O-CD2 2.83Å; W970-H1002 HydrophobicContact CH2-CB 3.97Å; W970-H1002 HydrophobicContact CZ3-CB 4.14Å; W970-V1017 HydrophobicContact CB-CG2 4.2Å; W970-V1017 HydrophobicContact CD2-CG1 4.16Å; W970-V1017 HydrophobicContact CD2-CG2 3.67Å; W970-V1017 HydrophobicContact CE3-CG2 3.65Å; W970-V1017 HydrophobicContact CG-CG1 4.41Å; W970-V1017 HydrophobicContact CG-CG2 3.91Å; W970-V1017 HydrophobicContact CZ2-CG1 4.43Å; W970-V1017 HydrophobicContact CZ3-CG2 4.31Å |
| 971 | E | 64.4 | Low | 67.2 | Low | 101 Ų | 101 | 68.5 Ų | 68.5 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 136.4 | 167.2 | -63.9 | 171.9 | 169.1 | 0 | 0 | 109.4 | G955 F973 | G955-E971 PolarHBondContact N-O 3.1Å; E971-F973 HydrophobicContact CB-CE2 3.96Å; E971-F973 HydrophobicContact CB-CZ 4.35Å |
| 972 | Y | 61.6 | Low | 67.9 | Low | 22 Ų | 22 | 66.1 Ų | 66.1 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 122.9 | 176.5 | 174.5 | -114 | 0 | 0 | 0 | 111.1 | F954 G974 L979 | F954-Y972 AromaticContact CD1-CD2 3.49Å; F954-Y972 HydrophobicContact CD1-CD2 3.49Å; F954-Y972 VanDerWaalsContact CD1-CD2 3.49Å; F954-Y972 HydrophobicContact CD1-CE2 4.45Å; F954-Y972 HydrophobicContact CD1-CG 4.02Å; F954-Y972 AromaticContact CD2-CD2 4Å; F954-Y972 HydrophobicContact CD2-CD2 4Å; F954-Y972 HydrophobicContact CD2-CE2 4.25Å; F954-Y972 AromaticContact CE1-CD2 3.43Å; F954-Y972 HydrophobicContact CE1-CD2 3.43Å; F954-Y972 VanDerWaalsContact CE1-CD2 3.43Å; F954-Y972 HydrophobicContact CE1-CE2 4.18Å; F954-Y972 AromaticContact CE1-CG 3.81Å; F954-Y972 HydrophobicContact CE1-CG 3.81Å; F954-Y972 AromaticContact CE2-CD2 3.94Å; F954-Y972 HydrophobicContact CE2-CD2 3.94Å; F954-Y972 AromaticContact CE2-CE2 3.98Å; F954-Y972 HydrophobicContact CE2-CE2 3.98Å; F954-Y972 AromaticContact CG-CD2 3.79Å; F954-Y972 HydrophobicContact CG-CD2 3.79Å; F954-Y972 HydrophobicContact CG-CE2 4.49Å; F954-Y972 AromaticContact CZ-CD2 3.66Å; F954-Y972 HydrophobicContact CZ-CD2 3.66Å; F954-Y972 AromaticContact CZ-CE2 3.94Å; F954-Y972 HydrophobicContact CZ-CE2 3.94Å; F954-Y972 HydrophobicContact CZ-CG 4.34Å; Y972-G974 WeakPolarHBondContact CE1-O 3.14Å; Y972-L979 HydrophobicContact CD1-CD1 4.14Å; Y972-L979 HydrophobicContact CD1-CD2 4.18Å; Y972-L979 HydrophobicContact CE1-CD2 4.31Å; Y972-L979 HydrophobicContact CG-CD2 4.4Å |
| 973 | F | 56.3 | Low | 68.8 | Low | 148 Ų | 148 | 64.8 Ų | 64.8 | 65% | 0.649 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 83.5 | -179.7 | -58.4 | -75.1 | 0 | 0 | 0 | 109.6 | V953 E971 | V953-F973 PolarHBondContact O-N 2.85Å; V953-F973 VanDerWaalsContact O-N 3.07Å; E971-F973 HydrophobicContact CB-CE2 3.96Å; E971-F973 HydrophobicContact CB-CZ 4.35Å |
| 974 | G | 52.6 | Low | 69.8 | Low | 30 Ų | 30 | 55 Ų | 55 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -167.9 | 162.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y972 | Y972-G974 WeakPolarHBondContact CE1-O 3.14Š|
| 975 | H | 51.1 | Low | 70.9 | Confident | 182 Ų | 182 | 51.6 Ų | 51.6 | 84% | 0.843 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -88.8 | -0.8 | -172.2 | -63.1 | -67 | 0 | 0 | 0 | 114.6 | K977 | H975-K977 PolarHBondContact O-N 3.37Š|
| 976 | N | 52.5 | Low | 71.3 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 23% | 0.225 | 27% | 0.271 | C | S | . | . | trans | -83.2 | 119.9 | -171.5 | -61.6 | 11 | 0 | 0 | 0 | 110.6 | N978 D1021 | N976-N978 VanDerWaalsContact C-N 3.33Å; N976-N978 PolarHBondContact O-N 3.1Å; N976-D1021 VanDerWaalsContact CG-OD1 3.29Å; N976-D1021 PolarHBondContact ND2-OD1 2.84Å; N976-D1021 PolarHBondContact ND2-OD2 2.83Å | ||
| 977 | K | 53.3 | Low | 71 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 83% | 0.826 | 31% | 0.312 | S | S | * | . | trans | -82.4 | -2.6 | -171 | -61.7 | -170.8 | 176.7 | -173.1 | 0 | 115.3 | H975 | H975-K977 PolarHBondContact O-N 3.37Š| ||
| 978 | N | 65.3 | Low | 70.9 | Confident | 81 Ų | 81 | 62 Ų | 62 | 43% | 0.433 | 32% | 0.315 | S | S | . | . | trans | -108.2 | 83.1 | -173.4 | -66.5 | -14 | 0 | 0 | 0 | 110.7 | N976 F980 R1020 | N976-N978 VanDerWaalsContact C-N 3.33Å; N976-N978 PolarHBondContact O-N 3.1Å; N978-F980 HydrophobicContact CB-CE2 4.14Å; N978-R1020 VanDerWaalsContact CB-O 3.3Å; N978-R1020 WeakPolarHBondContact CB-O 3.39Å; N978-R1020 PolarHBondContact O-N 3.47Å | ||
| 979 | L | 73.1 | Confident | 70.5 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.1 | 174.4 | -68.1 | 173 | 0 | 0 | 0 | 110.9 | F954 Y972 V996 V1017 A1019 | F954-L979 HydrophobicContact CE1-CD2 3.92Å; F954-L979 HydrophobicContact CZ-CD2 3.75Å; Y972-L979 HydrophobicContact CD1-CD1 4.14Å; Y972-L979 HydrophobicContact CD1-CD2 4.18Å; Y972-L979 HydrophobicContact CE1-CD2 4.31Å; Y972-L979 HydrophobicContact CG-CD2 4.4Å; L979-V996 PolarHBondContact O-N 3.47Å; L979-V1017 HydrophobicContact CD2-CG1 4.35Å; L979-A1019 HydrophobicContact CD2-CB 4.03Å |
| 980 | F | 77.5 | Confident | 70.3 | Confident | 49 Ų | 49 | 75.1 Ų | 75.1 | 22% | 0.215 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.9 | 174.6 | -53.5 | -98.9 | 0 | 0 | 0 | 110.1 | N978 R993 E994 V1017 V1018 R1020 | N978-F980 HydrophobicContact CB-CE2 4.14Å; F980-R993 HydrophobicContact CB-CG 3.65Å; F980-R993 HydrophobicContact CD1-CG 3.89Å; F980-R993 HydrophobicContact CG-CG 4.05Å; F980-E994 CarbonylContact C-O 3.57Å; F980-E994 WeakPolarHBondContact CA-O 3.43Å; F980-E994 WeakPolarHBondContact CB-O 3.12Å; F980-V1017 WeakPolarHBondContact O-CA 3.23Å; F980-V1018 HydrophobicContact CB-CG2 3.86Å; F980-V1018 HydrophobicContact CD2-CG2 4.49Å; F980-V1018 PolarHBondContact N-O 3.25Å; F980-V1018 PolarHBondContact O-N 2.67Å; F980-R1020 HydrophobicContact CD2-CB 4.49Å; F980-R1020 HydrophobicContact CD2-CG 4.27Å; F980-R1020 HydrophobicContact CE2-CB 4.14Å; F980-R1020 HydrophobicContact CE2-CG 4.36Å |
| 981 | V | 84 | Confident | 70.5 | Confident | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.9 | 167.5 | 176 | 0 | 0 | 0 | 0 | 107.7 | I968 W970 R993 E994 V996 H1002 I1004 V1015 C1016 | I968-V981 HydrophobicContact CD1-CG1 4.3Å; W970-V981 HydrophobicContact CH2-CG2 3.95Å; W970-V981 HydrophobicContact CZ3-CG2 3.87Å; V981-R993 WeakPolarHBondContact O-CA 3.33Å; V981-E994 PolarHBondContact N-O 3.06Å; V981-E994 PolarHBondContact O-N 3.31Å; V981-V996 HydrophobicContact CG2-CG2 3.83Å; V981-H1002 HydrophobicContact CG2-CB 4.27Å; V981-I1004 HydrophobicContact CG1-CD1 3.93Å; V981-I1004 HydrophobicContact CG1-CG1 4.48Å; V981-V1015 HydrophobicContact CG1-CG1 3.59Å; V981-C1016 WeakPolarHBondContact CA-O 3.37Å |
| 982 | E | 85.1 | Confident | 71.1 | Confident | 12 Ų | 12 | 80.2 Ų | 80.2 | 6% | 0.056 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125.9 | 174.9 | -72.7 | -177.7 | 169.8 | 0 | 0 | 109.2 | W991 K992 R993 V1015 C1016 V1018 R1020 | E982-W991 HydrophobicContact CB-CE3 4.02Å; E982-W991 WeakPolarHBondContact O-CZ3 3.49Å; E982-K992 CarbonylContact C-O 3.54Å; E982-K992 VanDerWaalsContact CA-O 3.23Å; E982-K992 WeakPolarHBondContact CA-O 3.42Å; E982-R993 HydrophobicContact CG-CB 4.06Å; E982-R993 HydrophobicContact CG-CG 3.87Å; E982-R993 IonicContact OE1-CZ 3.66Å; E982-R993 IonicContact OE1-NE 3.68Å; E982-R993 PolarHBondContact OE1-NE 3.17Å; E982-R993 IonicContact OE1-NH2 2.67Å; E982-R993 PolarHBondContact OE1-NH2 3.43Å; E982-V1015 WeakPolarHBondContact O-CG1 3.34Å; E982-C1016 PolarHBondContact N-O 3.49Å; E982-C1016 PolarHBondContact O-N 3.04Å; E982-C1016 PolarHBondContact O-SG 3.46Å; E982-V1018 HydrophobicContact CG-CG2 3.91Å; E982-R1020 IonicContact OE1-CZ 2.9Å; E982-R1020 IonicContact OE1-NE 3.31Å; E982-R1020 IonicContact OE1-NH2 2.73Å; E982-R1020 PolarHBondContact OE1-NH2 2.9Å; E982-R1020 IonicContact OE2-NH2 3.14Å |
| 983 | Y | 87.1 | Confident | 72.1 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 9% | 0.09 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 140.7 | -179.5 | 61.9 | -83.9 | 0 | 0 | 0 | 112.9 | K992 E994 I1004 L1007 S1014 | Y983-K992 HydrophobicContact CD1-CB 4.35Å; Y983-K992 HydrophobicContact CD2-CB 4.26Å; Y983-K992 HydrophobicContact CE1-CB 4.07Å; Y983-K992 HydrophobicContact CE2-CB 3.96Å; Y983-K992 HydrophobicContact CE2-CD 3.92Å; Y983-K992 HydrophobicContact CG-CB 4.45Å; Y983-K992 PolarHBondContact N-O 3.31Å; Y983-K992 PolarHBondContact O-N 3.24Å; Y983-E994 HydrophobicContact CE1-CG 4.19Å; Y983-E994 WeakPolarHBondContact CE1-OE1 3.38Å; Y983-E994 VanDerWaalsContact CZ-OE1 3.31Å; Y983-E994 PolarHBondContact OH-OE1 3.21Å; Y983-I1004 HydrophobicContact CD1-CD1 3.62Å; Y983-I1004 HydrophobicContact CD1-CG1 4.25Å; Y983-I1004 HydrophobicContact CD1-CG2 4.26Å; Y983-I1004 HydrophobicContact CD2-CG2 4.37Å; Y983-I1004 HydrophobicContact CE1-CD1 4.1Å; Y983-I1004 HydrophobicContact CE1-CG1 4.24Å; Y983-I1004 HydrophobicContact CE1-CG2 3.72Å; Y983-I1004 HydrophobicContact CE2-CG2 3.87Å; Y983-I1004 HydrophobicContact CG-CD1 3.87Å; Y983-I1004 VanDerWaalsContact CZ-CG2 3.49Å; Y983-L1007 HydrophobicContact CD2-CD2 3.95Å; Y983-L1007 HydrophobicContact CE2-CD2 3.67Å; Y983-S1014 WeakPolarHBondContact CA-O 3.5Å |
| 984 | A | 80.5 | Confident | 73.2 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 3% | 0.025 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 164.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W991 Y1013 S1014 | A984-W991 HydrophobicContact CB-CD2 3.53Å; A984-W991 HydrophobicContact CB-CE3 3.91Å; A984-W991 HydrophobicContact CB-CG 3.84Å; A984-W991 HydrophobicContact CB-CH2 4.36Å; A984-W991 HydrophobicContact CB-CZ2 4.03Å; A984-W991 HydrophobicContact CB-CZ3 4.3Å; A984-Y1013 CarbonylContact O-C 3.57Å; A984-Y1013 WeakPolarHBondContact O-CA 3.33Å; A984-Y1013 WeakPolarHBondContact O-CB 2.94Å; A984-Y1013 WeakPolarHBondContact O-CD1 3.43Å; A984-S1014 PolarHBondContact N-O 2.99Å; A984-S1014 PolarHBondContact O-N 2.72Å |
| 985 | V | 79.8 | Confident | 74.3 | Confident | 65 Ų | 65 | 83.2 Ų | 83.2 | 39% | 0.394 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 140.7 | 160.9 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | N987 S988 T1011 Y1013 | V985-N987 PolarHBondContact O-N 3Å; V985-S988 WeakPolarHBondContact O-CB 3.43Å; V985-S988 PolarHBondContact O-N 3.05Å; V985-T1011 HydrophobicContact CG1-CG2 3.81Å; V985-T1011 HydrophobicContact CG2-CG2 4.01Å; V985-Y1013 HydrophobicContact CG2-CD1 4.1Å; V985-Y1013 HydrophobicContact CG2-CE1 3.55Å |
| 986 | E | 76.9 | Confident | 75.2 | Confident | 73 Ų | 73 | 74.8 Ų | 74.8 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.7 | -177.3 | -179.7 | 166.2 | -129.1 | 0 | 0 | 111.5 | S1012 S1014 S1034 | E986-S1012 PolarHBondContact N-O 3.2Å; E986-S1012 WeakPolarHBondContact OE2-CB 3.46Å; E986-S1012 PolarHBondContact OE2-OG 2.97Å; E986-S1014 WeakPolarHBondContact CA-OG 3.34Å; E986-S1034 WeakPolarHBondContact OE1-CB 3.46Å; E986-S1034 PolarHBondContact OE1-OG 2.8Å |
| 987 | N | 71.3 | Confident | 75.3 | Confident | 163 Ų | 163 | 80 Ų | 80 | 87% | 0.872 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 27.9 | -169 | -46.1 | -76.4 | 0 | 0 | 0 | 116.4 | V985 | V985-N987 PolarHBondContact O-N 3Š|
| 988 | S | 76.9 | Confident | 75.4 | Confident | 43 Ų | 43 | 74 Ų | 74 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | trans | -108.5 | 138.5 | 171.1 | -171.7 | 0 | 0 | 0 | 0 | 112.7 | V985 E990 W991 | V985-S988 WeakPolarHBondContact O-CB 3.43Å; V985-S988 PolarHBondContact O-N 3.05Å; S988-E990 VanDerWaalsContact C-N 3.29Å; S988-E990 PolarHBondContact OG-N 2.9Å; S988-W991 PolarHBondContact O-NE1 2.95Å | ||
| 989 | D | 73.1 | Confident | 75 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -77.8 | -9.7 | 172.9 | -63.7 | -49.6 | 0 | 0 | 0 | 113.4 | W991 | D989-W991 PolarHBondContact O-N 3.39Š|
| 990 | E | 74.8 | Confident | 74.8 | Confident | 165 Ų | 165 | 78.8 Ų | 78.8 | 77% | 0.771 | 41% | 0.411 | S | S | * | . | trans | -87.5 | 81 | -179.6 | -69 | -163.4 | 162.4 | 0 | 0 | 112.6 | S988 | S988-E990 VanDerWaalsContact C-N 3.29Å; S988-E990 PolarHBondContact OG-N 2.9Å | ||
| 991 | W | 83.3 | Confident | 74.7 | Confident | 82 Ų | 82 | 79 Ų | 79 | 31% | 0.311 | 42% | 0.42 | S | S | . | . | trans | -80.5 | 126.3 | 177.7 | -68.9 | 76.1 | 0 | 0 | 0 | 113.1 | E982 A984 S988 D989 S1014 E1032 | E982-W991 HydrophobicContact CB-CE3 4.02Å; E982-W991 WeakPolarHBondContact O-CZ3 3.49Å; A984-W991 HydrophobicContact CB-CD2 3.53Å; A984-W991 HydrophobicContact CB-CE3 3.91Å; A984-W991 HydrophobicContact CB-CG 3.84Å; A984-W991 HydrophobicContact CB-CH2 4.36Å; A984-W991 HydrophobicContact CB-CZ2 4.03Å; A984-W991 HydrophobicContact CB-CZ3 4.3Å; S988-W991 PolarHBondContact O-NE1 2.95Å; D989-W991 PolarHBondContact O-N 3.39Å; W991-S1014 WeakPolarHBondContact CH2-O 3.38Å; W991-S1014 VanDerWaalsContact CZ3-O 3.24Å; W991-S1014 WeakPolarHBondContact CZ3-O 3.45Å; W991-E1032 VanDerWaalsContact CH2-CD 3.43Å; W991-E1032 HydrophobicContact CH2-CG 3.79Å; W991-E1032 WeakPolarHBondContact CH2-OE2 3.33Å; W991-E1032 HydrophobicContact CZ2-CG 4.47Å; W991-E1032 VanDerWaalsContact CZ2-OE2 3.31Å; W991-E1032 WeakPolarHBondContact CZ2-OE2 3.42Å | ||
| 992 | K | 77.4 | Confident | 74.5 | Confident | 135 Ų | 135 | 81.3 Ų | 81.3 | 59% | 0.587 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 153.4 | 170.3 | -63.7 | -178.4 | -179.8 | -177.5 | 0 | 110.1 | E982 Y983 | E982-K992 CarbonylContact C-O 3.54Å; E982-K992 VanDerWaalsContact CA-O 3.23Å; E982-K992 WeakPolarHBondContact CA-O 3.42Å; Y983-K992 HydrophobicContact CD1-CB 4.35Å; Y983-K992 HydrophobicContact CD2-CB 4.26Å; Y983-K992 HydrophobicContact CE1-CB 4.07Å; Y983-K992 HydrophobicContact CE2-CB 3.96Å; Y983-K992 HydrophobicContact CE2-CD 3.92Å; Y983-K992 HydrophobicContact CG-CB 4.45Å; Y983-K992 PolarHBondContact N-O 3.31Å; Y983-K992 PolarHBondContact O-N 3.24Å |
| 993 | R | 82.7 | Confident | 74.4 | Confident | 129 Ų | 129 | 83 Ų | 83 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.2 | -176.1 | -173 | -172.3 | -61.6 | 126.8 | 13.4 | 111.8 | F980 V981 E982 R1020 | F980-R993 HydrophobicContact CB-CG 3.65Å; F980-R993 HydrophobicContact CD1-CG 3.89Å; F980-R993 HydrophobicContact CG-CG 4.05Å; V981-R993 WeakPolarHBondContact O-CA 3.33Å; E982-R993 HydrophobicContact CG-CB 4.06Å; E982-R993 HydrophobicContact CG-CG 3.87Å; E982-R993 IonicContact OE1-CZ 3.66Å; E982-R993 IonicContact OE1-NE 3.68Å; E982-R993 PolarHBondContact OE1-NE 3.17Å; E982-R993 IonicContact OE1-NH2 2.67Å; E982-R993 PolarHBondContact OE1-NH2 3.43Å; R993-R1020 VanDerWaalsContact NH2-NH2 3.16Å |
| 994 | E | 79.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 25% | 0.252 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.1 | 170.3 | -71.9 | 170.5 | -147.2 | 0 | 0 | 110.2 | F980 V981 Y983 H1002 | F980-E994 CarbonylContact C-O 3.57Å; F980-E994 WeakPolarHBondContact CA-O 3.43Å; F980-E994 WeakPolarHBondContact CB-O 3.12Å; V981-E994 PolarHBondContact N-O 3.06Å; V981-E994 PolarHBondContact O-N 3.31Å; Y983-E994 HydrophobicContact CE1-CG 4.19Å; Y983-E994 WeakPolarHBondContact CE1-OE1 3.38Å; Y983-E994 VanDerWaalsContact CZ-OE1 3.31Å; Y983-E994 PolarHBondContact OH-OE1 3.21Å; E994-H1002 IonicContact OE2-CD2 3.76Å; E994-H1002 IonicContact OE2-CE1 2.65Å; E994-H1002 IonicContact OE2-NE2 2.77Å; E994-H1002 PolarHBondContact OE2-NE2 3.03Å |
| 995 | S | 73.8 | Confident | 74.1 | Confident | 79 Ų | 79 | 87.1 Ų | 87.1 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.9 | -178.6 | 54.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 996 | V | 70.1 | Confident | 73.6 | Confident | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.03 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.3 | -177 | -171 | 0 | 0 | 0 | 0 | 111.3 | W970 L979 V981 G998 T999 H1002 | W970-V996 HydrophobicContact CH2-CB 4.25Å; W970-V996 HydrophobicContact CH2-CG1 3.91Å; W970-V996 HydrophobicContact CH2-CG2 4.04Å; W970-V996 HydrophobicContact CZ2-CB 4.36Å; W970-V996 HydrophobicContact CZ2-CG1 4.08Å; L979-V996 PolarHBondContact O-N 3.47Å; V981-V996 HydrophobicContact CG2-CG2 3.83Å; V996-G998 PolarHBondContact O-N 3.01Å; V996-G998 VanDerWaalsContact O-N 3.11Å; V996-T999 VanDerWaalsContact CG1-OG1 3.24Å; V996-T999 WeakPolarHBondContact CG1-OG1 3.44Å; V996-H1002 HydrophobicContact CG1-CB 4.26Å; V996-H1002 HydrophobicContact CG2-CB 3.79Å |
| 997 | N | 55.5 | Low | 73.7 | Confident | 152 Ų | 152 | 85.9 Ų | 85.9 | 81% | 0.813 | 47% | 0.472 | S | S | * | . | trans | -86.7 | 73.5 | -178.3 | -73.9 | -15.5 | 0 | 0 | 0 | 112 | T999 | N997-T999 VanDerWaalsContact C-N 3.35Å; N997-T999 PolarHBondContact O-N 2.62Å | ||
| 998 | G | 55.9 | Low | 73.8 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 66% | 0.66 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 75.7 | 8.7 | 162 | 0 | 0 | 0 | 0 | 0 | 117.3 | V996 | V996-G998 PolarHBondContact O-N 3.01Å; V996-G998 VanDerWaalsContact O-N 3.11Å |
| 999 | T | 57.2 | Low | 73.5 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | trans | -86.1 | 147 | 169.4 | 48.3 | 0 | 0 | 0 | 0 | 111.2 | W970 V996 N997 S1001 | W970-T999 WeakPolarHBondContact CZ2-O 3.28Å; V996-T999 VanDerWaalsContact CG1-OG1 3.24Å; V996-T999 WeakPolarHBondContact CG1-OG1 3.44Å; N997-T999 VanDerWaalsContact C-N 3.35Å; N997-T999 PolarHBondContact O-N 2.62Å; T999-S1001 WeakPolarHBondContact CB-O 3.03Å; T999-S1001 PolarHBondContact O-N 3.28Å; T999-S1001 PolarHBondContact OG1-O 3.24Å | ||
| 1000 | H | 68.8 | Low | 73.3 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 57% | 0.574 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -77.6 | 9.5 | 172.6 | -68.1 | 97.8 | 0 | 0 | 0 | 113.2 | S969 W970 | S969-H1000 CarbonylContact C-O 3.55Å; S969-H1000 WeakPolarHBondContact CA-O 3.27Å; S969-H1000 WeakPolarHBondContact CB-O 3.29Å; W970-H1000 PolarHBondContact N-O 3.03Å; W970-H1000 PolarHBondContact O-CD2 2.83Å |
| 1001 | S | 75.5 | Confident | 73.4 | Confident | 55 Ų | 55 | 74.7 Ų | 74.7 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 159.7 | 175 | 60 | 0 | 0 | 0 | 0 | 112.5 | I968 T999 | I968-S1001 CarbonylContact O-C 3.54Å; I968-S1001 WeakPolarHBondContact O-CA 3.42Å; I968-S1001 WeakPolarHBondContact O-CB 3.37Å; T999-S1001 WeakPolarHBondContact CB-O 3.03Å; T999-S1001 PolarHBondContact O-N 3.28Å; T999-S1001 PolarHBondContact OG1-O 3.24Å |
| 1002 | H | 79.8 | Confident | 73.3 | Confident | 47 Ų | 47 | 72 Ų | 72 | 22% | 0.218 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 154.7 | 176.2 | -177.6 | 62.6 | 0 | 0 | 0 | 110.3 | I968 W970 V981 E994 V996 | I968-H1002 PolarHBondContact N-O 2.71Å; I968-H1002 PolarHBondContact O-N 3.19Å; W970-H1002 HydrophobicContact CH2-CB 3.97Å; W970-H1002 HydrophobicContact CZ3-CB 4.14Å; V981-H1002 HydrophobicContact CG2-CB 4.27Å; E994-H1002 IonicContact OE2-CD2 3.76Å; E994-H1002 IonicContact OE2-CE1 2.65Å; E994-H1002 IonicContact OE2-NE2 2.77Å; E994-H1002 PolarHBondContact OE2-NE2 3.03Å; V996-H1002 HydrophobicContact CG1-CB 4.26Å; V996-H1002 HydrophobicContact CG2-CB 3.79Å |
| 1003 | T | 82.8 | Confident | 73.5 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 29% | 0.288 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 113.7 | -177.9 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L966 V967 K1005 | L966-T1003 CarbonylContact O-C 3.58Å; L966-T1003 WeakPolarHBondContact O-CA 3.01Å; V967-T1003 HydrophobicContact CG2-CG2 3.98Å; T1003-K1005 HydrophobicContact CG2-CG 4.35Å |
| 1004 | I | 79.9 | Confident | 73.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 124.8 | 177.7 | -52.6 | 165 | 0 | 0 | 0 | 109.1 | G965 L966 I968 V981 Y983 L1007 V1015 | G965-I1004 WeakPolarHBondContact CA-O 3.37Å; L966-I1004 HydrophobicContact CD2-CD1 4.46Å; L966-I1004 PolarHBondContact N-O 3.2Å; L966-I1004 PolarHBondContact O-N 3.27Å; I968-I1004 HydrophobicContact CD1-CD1 3.68Å; V981-I1004 HydrophobicContact CG1-CD1 3.93Å; V981-I1004 HydrophobicContact CG1-CG1 4.48Å; Y983-I1004 HydrophobicContact CD1-CD1 3.62Å; Y983-I1004 HydrophobicContact CD1-CG1 4.25Å; Y983-I1004 HydrophobicContact CD1-CG2 4.26Å; Y983-I1004 HydrophobicContact CD2-CG2 4.37Å; Y983-I1004 HydrophobicContact CE1-CD1 4.1Å; Y983-I1004 HydrophobicContact CE1-CG1 4.24Å; Y983-I1004 HydrophobicContact CE1-CG2 3.72Å; Y983-I1004 HydrophobicContact CE2-CG2 3.87Å; Y983-I1004 HydrophobicContact CG-CD1 3.87Å; Y983-I1004 VanDerWaalsContact CZ-CG2 3.49Å; I1004-L1007 HydrophobicContact CB-CD1 4.37Å; I1004-L1007 HydrophobicContact CG2-CD1 4.13Å; I1004-L1007 HydrophobicContact CG2-CD2 3.82Å; I1004-L1007 HydrophobicContact CG2-CG 3.96Å; I1004-V1015 HydrophobicContact CD1-CG1 4.02Å |
| 1005 | K | 80.1 | Confident | 73.6 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | trans | -112.1 | 154.4 | -178.2 | -55.1 | -159.9 | 171.4 | -173.7 | 0 | 111.6 | E964 T1003 | E964-K1005 WeakPolarHBondContact O-CD 3.39Å; E964-K1005 WeakPolarHBondContact O-CE 3.2Å; E964-K1005 VanDerWaalsContact O-CG 3.32Å; E964-K1005 WeakPolarHBondContact O-CG 3.31Å; E964-K1005 IonicContact OE2-NZ 3.65Å; E964-K1005 PolarHBondContact OE2-NZ 2.71Å; T1003-K1005 HydrophobicContact CG2-CG 4.35Å | ||
| 1006 | G | 70.4 | Confident | 73.9 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 87% | 0.866 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 79.3 | 20.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 1007 | L | 78.6 | Confident | 74.5 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 15% | 0.147 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 153.6 | 171.9 | -61 | -179.8 | 0 | 0 | 0 | 111.6 | L966 Y983 I1004 Y1013 V1037 | L966-L1007 HydrophobicContact CB-CD1 3.61Å; L966-L1007 HydrophobicContact CD2-CD1 3.73Å; L966-L1007 HydrophobicContact CG-CD1 4.33Å; Y983-L1007 HydrophobicContact CD2-CD2 3.95Å; Y983-L1007 HydrophobicContact CE2-CD2 3.67Å; I1004-L1007 HydrophobicContact CB-CD1 4.37Å; I1004-L1007 HydrophobicContact CG2-CD1 4.13Å; I1004-L1007 HydrophobicContact CG2-CD2 3.82Å; I1004-L1007 HydrophobicContact CG2-CG 3.96Å; L1007-Y1013 HydrophobicContact CB-CD2 4.37Å; L1007-Y1013 HydrophobicContact CB-CE2 3.82Å; L1007-Y1013 HydrophobicContact CD1-CD2 4.19Å; L1007-Y1013 HydrophobicContact CD1-CE2 4.45Å; L1007-Y1013 HydrophobicContact CD1-CG 4.38Å; L1007-Y1013 HydrophobicContact CD2-CD1 4.04Å; L1007-Y1013 HydrophobicContact CD2-CD2 4.47Å; L1007-Y1013 HydrophobicContact CD2-CE1 3.8Å; L1007-Y1013 HydrophobicContact CD2-CE2 4.24Å; L1007-Y1013 HydrophobicContact CD2-CG 4.38Å; L1007-Y1013 HydrophobicContact CG-CE2 4.39Å; L1007-V1037 HydrophobicContact CB-CG2 4.13Å; L1007-V1037 HydrophobicContact CD1-CG2 3.98Å |
| 1008 | K | 73.3 | Confident | 75.4 | Confident | 146 Ų | 146 | 47.1 Ų | 47.1 | 64% | 0.635 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 128.2 | 179 | -70.6 | -173.4 | 176.9 | -178.6 | 0 | 110.9 | T1011 Y1013 | K1008-T1011 WeakPolarHBondContact O-CB 3.33Å; K1008-T1011 PolarHBondContact O-N 3.14Å; K1008-Y1013 WeakPolarHBondContact CB-OH 3.37Å; K1008-Y1013 PolarHBondContact N-OH 3.4Å |
| 1009 | P | 71.6 | Confident | 76.1 | Confident | 72 Ų | 72 | 44 Ų | 44 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 147.1 | 170 | -26.2 | 35.8 | 0 | 0 | 0 | 112.6 | T1011 P1038 V1040 | P1009-T1011 PolarHBondContact O-N 2.84Å; P1009-P1038 WeakPolarHBondContact CA-O 3.4Å; P1009-P1038 WeakPolarHBondContact CB-O 3.5Å; P1009-V1040 HydrophobicContact CB-CB 4.27Å; P1009-V1040 HydrophobicContact CB-CG2 4.01Å; P1009-V1040 HydrophobicContact CG-CB 4.48Å; P1009-V1040 HydrophobicContact CG-CG2 3.92Å |
| 1010 | G | 67.9 | Low | 76.7 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | V1037 P1038 | G1010-V1037 VanDerWaalsContact CA-O 3.23Å; G1010-V1037 WeakPolarHBondContact CA-O 3.38Å; G1010-V1037 PolarHBondContact N-O 3.36Å; G1010-P1038 PolarHBondContact N-O 2.66Å; G1010-P1038 VanDerWaalsContact N-O 3.13Å |
| 1011 | T | 76.8 | Confident | 76.2 | Confident | 35 Ų | 35 | 41 Ų | 41 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | trans | -111.1 | 133.4 | -176.6 | -53.3 | 0 | 0 | 0 | 0 | 109.9 | V985 K1008 P1009 Y1013 V1037 | V985-T1011 HydrophobicContact CG1-CG2 3.81Å; V985-T1011 HydrophobicContact CG2-CG2 4.01Å; K1008-T1011 WeakPolarHBondContact O-CB 3.33Å; K1008-T1011 PolarHBondContact O-N 3.14Å; P1009-T1011 PolarHBondContact O-N 2.84Å; T1011-Y1013 HydrophobicContact CG2-CD2 4.38Å; T1011-Y1013 HydrophobicContact CG2-CE2 3.81Å; T1011-Y1013 WeakPolarHBondContact O-CD2 3.29Å; T1011-V1037 PolarHBondContact O-N 3.35Å | ||
| 1012 | S | 80.8 | Confident | 75.5 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 19% | 0.189 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.8 | 167.6 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | E986 T1036 | E986-S1012 PolarHBondContact N-O 3.2Å; E986-S1012 WeakPolarHBondContact OE2-CB 3.46Å; E986-S1012 PolarHBondContact OE2-OG 2.97Å; S1012-T1036 PolarHBondContact OG-OG1 2.81Å |
| 1013 | Y | 81.9 | Confident | 74 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 7% | 0.071 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.5 | 172.4 | -70.2 | -90.6 | 0 | 0 | 0 | 109.8 | A984 V985 L1007 K1008 T1011 S1034 V1035 V1037 | A984-Y1013 CarbonylContact O-C 3.57Å; A984-Y1013 WeakPolarHBondContact O-CA 3.33Å; A984-Y1013 WeakPolarHBondContact O-CB 2.94Å; A984-Y1013 WeakPolarHBondContact O-CD1 3.43Å; V985-Y1013 HydrophobicContact CG2-CD1 4.1Å; V985-Y1013 HydrophobicContact CG2-CE1 3.55Å; L1007-Y1013 HydrophobicContact CB-CD2 4.37Å; L1007-Y1013 HydrophobicContact CB-CE2 3.82Å; L1007-Y1013 HydrophobicContact CD1-CD2 4.19Å; L1007-Y1013 HydrophobicContact CD1-CE2 4.45Å; L1007-Y1013 HydrophobicContact CD1-CG 4.38Å; L1007-Y1013 HydrophobicContact CD2-CD1 4.04Å; L1007-Y1013 HydrophobicContact CD2-CD2 4.47Å; L1007-Y1013 HydrophobicContact CD2-CE1 3.8Å; L1007-Y1013 HydrophobicContact CD2-CE2 4.24Å; L1007-Y1013 HydrophobicContact CD2-CG 4.38Å; L1007-Y1013 HydrophobicContact CG-CE2 4.39Å; K1008-Y1013 WeakPolarHBondContact CB-OH 3.37Å; K1008-Y1013 PolarHBondContact N-OH 3.4Å; T1011-Y1013 HydrophobicContact CG2-CD2 4.38Å; T1011-Y1013 HydrophobicContact CG2-CE2 3.81Å; T1011-Y1013 WeakPolarHBondContact O-CD2 3.29Å; Y1013-S1034 CarbonylContact O-C 3.6Å; Y1013-S1034 WeakPolarHBondContact O-CA 3.21Å; Y1013-V1035 PolarHBondContact N-O 2.86Å; Y1013-V1035 PolarHBondContact O-N 2.82Å; Y1013-V1037 HydrophobicContact CD2-CG2 3.9Å; Y1013-V1037 HydrophobicContact CE2-CG2 4.21Å |
| 1014 | S | 81.2 | Confident | 72.7 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 7% | 0.07 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 128 | 170 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | Y983 A984 E986 W991 S1034 | Y983-S1014 WeakPolarHBondContact CA-O 3.5Å; A984-S1014 PolarHBondContact N-O 2.99Å; A984-S1014 PolarHBondContact O-N 2.72Å; E986-S1014 WeakPolarHBondContact CA-OG 3.34Å; W991-S1014 WeakPolarHBondContact CH2-O 3.38Å; W991-S1014 VanDerWaalsContact CZ3-O 3.24Å; W991-S1014 WeakPolarHBondContact CZ3-O 3.45Å; S1014-S1034 PolarHBondContact OG-OG 2.92Å |
| 1015 | V | 84.3 | Confident | 71.5 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 146.5 | -172 | -163 | 0 | 0 | 0 | 0 | 112.1 | L966 I968 V981 E982 I1004 E1032 V1033 | L966-V1015 HydrophobicContact CD2-CG2 3.92Å; I968-V1015 HydrophobicContact CD1-CB 3.72Å; I968-V1015 HydrophobicContact CD1-CG1 3.2Å; I968-V1015 HydrophobicContact CD1-CG2 4.05Å; V981-V1015 HydrophobicContact CG1-CG1 3.59Å; E982-V1015 WeakPolarHBondContact O-CG1 3.34Å; I1004-V1015 HydrophobicContact CD1-CG1 4.02Å; V1015-E1032 WeakPolarHBondContact O-CA 3.45Å; V1015-V1033 PolarHBondContact N-O 2.71Å; V1015-V1033 PolarHBondContact O-N 3Å |
| 1016 | C | 79.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 168.4 | -177 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | V981 E982 K1029 T1030 E1032 | V981-C1016 WeakPolarHBondContact CA-O 3.37Å; E982-C1016 PolarHBondContact N-O 3.49Å; E982-C1016 PolarHBondContact O-N 3.04Å; E982-C1016 PolarHBondContact O-SG 3.46Å; C1016-K1029 WeakPolarHBondContact SG-CE 3.24Å; C1016-T1030 WeakPolarHBondContact CA-OG1 3.47Å; C1016-T1030 WeakPolarHBondContact CB-OG1 3.38Å; C1016-E1032 HydrophobicContact CB-CG 3.9Å |
| 1017 | V | 82 | Confident | 69.8 | Low | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.9 | 174.6 | -167.2 | 0 | 0 | 0 | 0 | 108.9 | F954 V957 W970 L979 F980 K1029 T1030 | F954-V1017 HydrophobicContact CE1-CB 4.11Å; F954-V1017 HydrophobicContact CE1-CG1 3.82Å; F954-V1017 HydrophobicContact CZ-CG1 4.2Å; V957-V1017 HydrophobicContact CG1-CG2 4.41Å; V957-V1017 HydrophobicContact CG2-CG2 4.16Å; W970-V1017 HydrophobicContact CB-CG2 4.2Å; W970-V1017 HydrophobicContact CD2-CG1 4.16Å; W970-V1017 HydrophobicContact CD2-CG2 3.67Å; W970-V1017 HydrophobicContact CE3-CG2 3.65Å; W970-V1017 HydrophobicContact CG-CG1 4.41Å; W970-V1017 HydrophobicContact CG-CG2 3.91Å; W970-V1017 HydrophobicContact CZ2-CG1 4.43Å; W970-V1017 HydrophobicContact CZ3-CG2 4.31Å; L979-V1017 HydrophobicContact CD2-CG1 4.35Å; F980-V1017 WeakPolarHBondContact O-CA 3.23Å; V1017-K1029 WeakPolarHBondContact O-CA 3.28Å; V1017-T1030 HydrophobicContact CB-CG2 3.81Å; V1017-T1030 HydrophobicContact CG2-CG2 4.37Å; V1017-T1030 PolarHBondContact N-OG1 3.42Å; V1017-T1030 PolarHBondContact O-N 2.93Å |
| 1018 | V | 76.3 | Confident | 69.1 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 138.8 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | F980 E982 R1020 A1026 H1028 K1029 | F980-V1018 HydrophobicContact CB-CG2 3.86Å; F980-V1018 HydrophobicContact CD2-CG2 4.49Å; F980-V1018 PolarHBondContact N-O 3.25Å; F980-V1018 PolarHBondContact O-N 2.67Å; E982-V1018 HydrophobicContact CG-CG2 3.91Å; V1018-R1020 HydrophobicContact CG2-CG 4.29Å; V1018-A1026 HydrophobicContact CB-CB 4.13Å; V1018-A1026 HydrophobicContact CG1-CB 4.17Å; V1018-H1028 WeakPolarHBondContact CA-O 3.34Å; V1018-K1029 HydrophobicContact CG1-CB 3.86Å; V1018-K1029 HydrophobicContact CG1-CD 4.21Å; V1018-K1029 HydrophobicContact CG1-CG 3.68Å |
| 1019 | A | 70.5 | Confident | 68.9 | Low | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 129.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | F954 L979 V1027 H1028 | F954-A1019 HydrophobicContact CE2-CB 4.2Å; F954-A1019 HydrophobicContact CZ-CB 4.05Å; L979-A1019 HydrophobicContact CD2-CB 4.03Å; A1019-V1027 PolarHBondContact O-N 2.86Å; A1019-H1028 PolarHBondContact N-O 2.79Å |
| 1020 | R | 68.3 | Low | 68.8 | Low | 38 Ų | 38 | 40.3 Ų | 40.3 | 14% | 0.143 | 27% | 0.269 | C | S | . | . | trans | -135.2 | 123 | -179.8 | -51.7 | -154.6 | 179.7 | -141.9 | -0.2 | 113.4 | N978 F980 E982 R993 V1018 G1022 G1024 A1026 | N978-R1020 VanDerWaalsContact CB-O 3.3Å; N978-R1020 WeakPolarHBondContact CB-O 3.39Å; N978-R1020 PolarHBondContact O-N 3.47Å; F980-R1020 HydrophobicContact CD2-CB 4.49Å; F980-R1020 HydrophobicContact CD2-CG 4.27Å; F980-R1020 HydrophobicContact CE2-CB 4.14Å; F980-R1020 HydrophobicContact CE2-CG 4.36Å; E982-R1020 IonicContact OE1-CZ 2.9Å; E982-R1020 IonicContact OE1-NE 3.31Å; E982-R1020 IonicContact OE1-NH2 2.73Å; E982-R1020 PolarHBondContact OE1-NH2 2.9Å; E982-R1020 IonicContact OE2-NH2 3.14Å; R993-R1020 VanDerWaalsContact NH2-NH2 3.16Å; V1018-R1020 HydrophobicContact CG2-CG 4.29Å; R1020-G1022 VanDerWaalsContact C-N 3.29Å; R1020-G1022 PolarHBondContact O-N 3Å; R1020-G1024 PolarHBondContact NH1-O 3.49Å; R1020-A1026 HydrophobicContact CG-CB 4.29Å | ||
| 1021 | D | 59.4 | Low | 68.7 | Low | 98 Ų | 98 | 45.4 Ų | 45.4 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -85.8 | 73.1 | 174.9 | -62 | -32.7 | 0 | 0 | 0 | 110.8 | N976 V1027 | N976-D1021 VanDerWaalsContact CG-OD1 3.29Å; N976-D1021 PolarHBondContact ND2-OD1 2.84Å; N976-D1021 PolarHBondContact ND2-OD2 2.83Å; D1021-V1027 HydrophobicContact CB-CG2 4.4Å |
| 1022 | G | 59.6 | Low | 68.7 | Low | 43 Ų | 43 | 48.5 Ų | 48.5 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 89.9 | -154.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R1020 G1024 | R1020-G1022 VanDerWaalsContact C-N 3.29Å; R1020-G1022 PolarHBondContact O-N 3Å; G1022-G1024 PolarHBondContact O-N 3.42Å |
| 1023 | A | 48.8 | Very low | 68.3 | Low | 118 Ų | 118 | 49.2 Ų | 49.2 | 98% | 0.975 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -76 | 18.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1024 | G | 54.8 | Low | 68.1 | Low | 34 Ų | 34 | 51 Ų | 51 | 35% | 0.351 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -88.5 | -177.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R1020 G1022 | R1020-G1024 PolarHBondContact NH1-O 3.49Å; G1022-G1024 PolarHBondContact O-N 3.42Å |
| 1025 | P | 54.8 | Low | 67.8 | Low | 112 Ų | 112 | 51.6 Ų | 51.6 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -59.9 | 161.7 | 162.5 | 29.1 | -34.9 | 0 | 0 | 0 | 111 | ||
| 1026 | A | 55.8 | Low | 67.5 | Low | 40 Ų | 40 | 55.5 Ų | 55.5 | 33% | 0.331 | 34% | 0.344 | S | S | . | . | trans | -67.4 | 136 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1018 R1020 | V1018-A1026 HydrophobicContact CB-CB 4.13Å; V1018-A1026 HydrophobicContact CG1-CB 4.17Å; R1020-A1026 HydrophobicContact CG-CB 4.29Å | ||
| 1027 | V | 59.4 | Low | 67.1 | Low | 76 Ų | 76 | 56.4 Ų | 56.4 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -82.2 | -39 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 109.8 | A1019 D1021 | A1019-V1027 PolarHBondContact O-N 2.86Å; D1021-V1027 HydrophobicContact CB-CG2 4.4Å |
| 1028 | H | 65.3 | Low | 66 | Low | 53 Ų | 53 | 60.3 Ų | 60.3 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 139 | 172.2 | -68.1 | -87.3 | 0 | 0 | 0 | 109.8 | S952 F954 V1018 A1019 | S952-H1028 PolarHBondContact N-CE1 2.86Å; S952-H1028 PolarHBondContact N-NE2 2.96Å; S952-H1028 PolarHBondContact O-CE1 2.81Å; S952-H1028 PolarHBondContact O-ND1 2.84Å; F954-H1028 HydrophobicContact CD2-CB 4.05Å; F954-H1028 HydrophobicContact CE2-CB 3.72Å; V1018-H1028 WeakPolarHBondContact CA-O 3.34Å; A1019-H1028 PolarHBondContact N-O 2.79Å |
| 1029 | K | 68.1 | Low | 65 | Low | 89 Ų | 89 | 63.5 Ų | 63.5 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139 | 175.1 | -178.9 | 175.3 | -165.2 | -167.7 | 0 | 108.4 | C1016 V1017 V1018 E1032 | C1016-K1029 WeakPolarHBondContact SG-CE 3.24Å; V1017-K1029 WeakPolarHBondContact O-CA 3.28Å; V1018-K1029 HydrophobicContact CG1-CB 3.86Å; V1018-K1029 HydrophobicContact CG1-CD 4.21Å; V1018-K1029 HydrophobicContact CG1-CG 3.68Å; K1029-E1032 WeakPolarHBondContact CE-OE1 3.11Å; K1029-E1032 IonicContact NZ-OE1 2.68Å; K1029-E1032 PolarHBondContact NZ-OE1 3.11Å |
| 1030 | T | 68.8 | Low | 64.2 | Low | 13 Ų | 13 | 68.5 Ų | 68.5 | 8% | 0.08 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 165.1 | 173.1 | 65.8 | 0 | 0 | 0 | 0 | 111.4 | F954 V957 C1016 V1017 | F954-T1030 HydrophobicContact CB-CG2 3.74Å; F954-T1030 HydrophobicContact CD1-CG2 3.55Å; F954-T1030 HydrophobicContact CD2-CG2 3.93Å; F954-T1030 HydrophobicContact CE1-CG2 4.05Å; F954-T1030 HydrophobicContact CE2-CG2 4.38Å; F954-T1030 HydrophobicContact CG-CG2 3.49Å; F954-T1030 VanDerWaalsContact CG-CG2 3.49Å; F954-T1030 HydrophobicContact CZ-CG2 4.44Å; V957-T1030 HydrophobicContact CG2-CG2 3.49Å; V957-T1030 VanDerWaalsContact CG2-CG2 3.49Å; C1016-T1030 WeakPolarHBondContact CA-OG1 3.47Å; C1016-T1030 WeakPolarHBondContact CB-OG1 3.38Å; V1017-T1030 HydrophobicContact CB-CG2 3.81Å; V1017-T1030 HydrophobicContact CG2-CG2 4.37Å; V1017-T1030 PolarHBondContact N-OG1 3.42Å; V1017-T1030 PolarHBondContact O-N 2.93Å |
| 1031 | N | 66.8 | Low | 62.8 | Low | 147 Ų | 147 | 72 Ų | 72 | 79% | 0.786 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 148.3 | 160.4 | -67.4 | -13.5 | 0 | 0 | 0 | 109.9 | ||
| 1032 | E | 75.8 | Confident | 61.6 | Low | 101 Ų | 101 | 74.3 Ų | 74.3 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 132 | 177.2 | -71.3 | 166 | -152.2 | 0 | 0 | 109.9 | W991 V1015 C1016 K1029 | W991-E1032 VanDerWaalsContact CH2-CD 3.43Å; W991-E1032 HydrophobicContact CH2-CG 3.79Å; W991-E1032 WeakPolarHBondContact CH2-OE2 3.33Å; W991-E1032 HydrophobicContact CZ2-CG 4.47Å; W991-E1032 VanDerWaalsContact CZ2-OE2 3.31Å; W991-E1032 WeakPolarHBondContact CZ2-OE2 3.42Å; V1015-E1032 WeakPolarHBondContact O-CA 3.45Å; C1016-E1032 HydrophobicContact CB-CG 3.9Å; K1029-E1032 WeakPolarHBondContact CE-OE1 3.11Å; K1029-E1032 IonicContact NZ-OE1 2.68Å; K1029-E1032 PolarHBondContact NZ-OE1 3.11Å |
| 1033 | V | 74.1 | Confident | 60.4 | Low | 41 Ų | 41 | 82 Ų | 82 | 25% | 0.248 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 114.9 | 178.4 | -177.5 | 0 | 0 | 0 | 0 | 107.6 | V957 A959 V1015 V1035 | V957-V1033 HydrophobicContact CB-CG2 4.13Å; V957-V1033 HydrophobicContact CG1-CG2 4.3Å; A959-V1033 HydrophobicContact CB-CG1 4.29Å; V1015-V1033 PolarHBondContact N-O 2.71Å; V1015-V1033 PolarHBondContact O-N 3Å; V1033-V1035 HydrophobicContact CG1-CG2 4.25Å |
| 1034 | S | 77 | Confident | 59.5 | Low | 56 Ų | 56 | 83.3 Ų | 83.3 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.6 | 173.4 | -71.2 | 0 | 0 | 0 | 0 | 111.2 | E986 Y1013 S1014 | E986-S1034 WeakPolarHBondContact OE1-CB 3.46Å; E986-S1034 PolarHBondContact OE1-OG 2.8Å; Y1013-S1034 CarbonylContact O-C 3.6Å; Y1013-S1034 WeakPolarHBondContact O-CA 3.21Å; S1014-S1034 PolarHBondContact OG-OG 2.92Å |
| 1035 | V | 74.6 | Confident | 58.6 | Low | 22 Ų | 22 | 86.5 Ų | 86.5 | 13% | 0.133 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.2 | 171.7 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | A959 V961 L966 Y1013 V1033 V1037 | A959-V1035 HydrophobicContact CB-CG2 3.57Å; V961-V1035 HydrophobicContact CG2-CG1 3.76Å; L966-V1035 HydrophobicContact CD1-CB 3.96Å; L966-V1035 HydrophobicContact CD1-CG1 3.7Å; L966-V1035 HydrophobicContact CD1-CG2 4.28Å; Y1013-V1035 PolarHBondContact N-O 2.86Å; Y1013-V1035 PolarHBondContact O-N 2.82Å; V1033-V1035 HydrophobicContact CG1-CG2 4.25Å; V1035-V1037 PolarHBondContact O-N 2.68Å |
| 1036 | T | 77.1 | Confident | 57.5 | Low | 85 Ų | 85 | 87.3 Ų | 87.3 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 114 | 170.2 | -45 | 0 | 0 | 0 | 0 | 109.7 | S1012 | S1012-T1036 PolarHBondContact OG-OG1 2.81Å |
| 1037 | V | 71.7 | Confident | 57 | Low | 18 Ų | 18 | 93.2 Ų | 93.2 | 11% | 0.109 | 51% | 0.508 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 126 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 107.2 | L1007 G1010 T1011 Y1013 V1035 A1039 | L1007-V1037 HydrophobicContact CB-CG2 4.13Å; L1007-V1037 HydrophobicContact CD1-CG2 3.98Å; G1010-V1037 VanDerWaalsContact CA-O 3.23Å; G1010-V1037 WeakPolarHBondContact CA-O 3.38Å; G1010-V1037 PolarHBondContact N-O 3.36Å; T1011-V1037 PolarHBondContact O-N 3.35Å; Y1013-V1037 HydrophobicContact CD2-CG2 3.9Å; Y1013-V1037 HydrophobicContact CE2-CG2 4.21Å; V1035-V1037 PolarHBondContact O-N 2.68Å; V1037-A1039 PolarHBondContact O-N 2.82Å |
| 1038 | P | 60.1 | Low | 56 | Low | 82 Ų | 82 | 93.5 Ų | 93.5 | 53% | 0.532 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.4 | -176.7 | -28.6 | 35.9 | 0 | 0 | 0 | 112.3 | P1009 G1010 V1040 | P1009-P1038 WeakPolarHBondContact CA-O 3.4Å; P1009-P1038 WeakPolarHBondContact CB-O 3.5Å; G1010-P1038 PolarHBondContact N-O 2.66Å; G1010-P1038 VanDerWaalsContact N-O 3.13Å; P1038-V1040 PolarHBondContact O-N 2.88Å |
| 1039 | A | 54.5 | Low | 54.9 | Low | 68 Ų | 68 | 96 Ų | 96 | 56% | 0.562 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 116.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | V1037 P1041 | V1037-A1039 PolarHBondContact O-N 2.82Å; A1039-P1041 WeakPolarHBondContact O-CD 3.32Å; A1039-P1041 VanDerWaalsContact O-N 3.15Å |
| 1040 | V | 53 | Low | 53.5 | Low | 105 Ų | 105 | 97.2 Ų | 97.2 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 119.2 | 159 | 175 | 0 | 0 | 0 | 0 | 105.4 | P1009 P1038 N1042 | P1009-V1040 HydrophobicContact CB-CB 4.27Å; P1009-V1040 HydrophobicContact CB-CG2 4.01Å; P1009-V1040 HydrophobicContact CG-CB 4.48Å; P1009-V1040 HydrophobicContact CG-CG2 3.92Å; P1038-V1040 PolarHBondContact O-N 2.88Å; V1040-N1042 PolarHBondContact O-N 3.39Å |
| 1041 | P | 40.4 | Very low | 52.3 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 72% | 0.721 | 57% | 0.573 | S | S | * | * | trans | -61.6 | 114.4 | -177.7 | 23.7 | -32.3 | 0 | 0 | 0 | 107.8 | A1039 R1043 | A1039-P1041 WeakPolarHBondContact O-CD 3.32Å; A1039-P1041 VanDerWaalsContact O-N 3.15Å; P1041-R1043 VanDerWaalsContact C-N 3.32Å; P1041-R1043 PolarHBondContact O-N 2.87Å | ||
| 1042 | N | 32.9 | Very low | 51.4 | Low | 147 Ų | 147 | 102 Ų | 102 | 79% | 0.786 | 57% | 0.571 | S | S | * | * | trans | -69.1 | 92.9 | -173.9 | -163.4 | 25.3 | 0 | 0 | 0 | 107.9 | V1040 Q1044 | V1040-N1042 PolarHBondContact O-N 3.39Å; N1042-Q1044 PolarHBondContact O-N 2.96Å | ||
| 1043 | R | 34.4 | Very low | 49.8 | Very low | 203 Ų | 203 | 103.6 Ų | 103.6 | 77% | 0.766 | 58% | 0.576 | S | S | * | * | trans | -74.7 | 67.1 | -178.8 | -164 | -179.2 | -168.2 | 173.7 | 6.6 | 109.3 | P1041 V1045 | P1041-R1043 VanDerWaalsContact C-N 3.32Å; P1041-R1043 PolarHBondContact O-N 2.87Å; R1043-V1045 WeakPolarHBondContact O-CG2 3.32Å; R1043-V1045 PolarHBondContact O-N 3.2Å | ||
| 1044 | Q | 31.2 | Very low | 49 | Very low | 147 Ų | 147 | 106.4 Ų | 106.4 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | trans | -55.9 | 111.5 | 167.9 | -177.6 | 166.1 | -24.6 | 0 | 0 | 107 | N1042 D1046 | N1042-Q1044 PolarHBondContact O-N 2.96Å; Q1044-D1046 PolarHBondContact O-N 3.05Å | ||
| 1045 | V | 35.7 | Very low | 48 | Very low | 100 Ų | 100 | 105.5 Ų | 105.5 | 61% | 0.606 | 59% | 0.588 | S | S | * | * | trans | -77.9 | 90.9 | -176.5 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | R1043 I1047 | R1043-V1045 WeakPolarHBondContact O-CG2 3.32Å; R1043-V1045 PolarHBondContact O-N 3.2Å; V1045-I1047 HydrophobicContact CG1-CG1 4.21Å; V1045-I1047 WeakPolarHBondContact O-CG1 3.37Å; V1045-I1047 PolarHBondContact O-N 3.2Å | ||
| 1046 | D | 30.6 | Very low | 47.6 | Very low | 129 Ų | 129 | 107.4 Ų | 107.4 | 69% | 0.69 | 60% | 0.597 | S | S | * | * | trans | -66.5 | 111.9 | 161.7 | -92.3 | -40.4 | 0 | 0 | 0 | 108.4 | Q1044 A1048 | Q1044-D1046 PolarHBondContact O-N 3.05Å; D1046-A1048 PolarHBondContact O-N 2.96Å | ||
| 1047 | I | 44.7 | Very low | 47 | Very low | 164 Ų | 164 | 108.4 Ų | 108.4 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -80 | 54.6 | -172.3 | -46.4 | -179.4 | 0 | 0 | 0 | 109.7 | V1045 | V1045-I1047 HydrophobicContact CG1-CG1 4.21Å; V1045-I1047 WeakPolarHBondContact O-CG1 3.37Å; V1045-I1047 PolarHBondContact O-N 3.2Å |
| 1048 | A | 39.6 | Very low | 46.9 | Very low | 82 Ų | 82 | 111.1 Ų | 111.1 | 68% | 0.678 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -158.8 | 55.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1046 | D1046-A1048 PolarHBondContact O-N 2.96Š|
| 1049 | T | 41.3 | Very low | 47.3 | Very low | 106 Ų | 106 | 109.5 Ų | 109.5 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -167.5 | -37.4 | 159.8 | 16.5 | 0 | 0 | 0 | 0 | 113 | G1051 W1052 F1053 | T1049-G1051 PolarHBondContact O-N 2.81Å; T1049-G1051 VanDerWaalsContact O-N 3.09Å; T1049-W1052 PolarHBondContact O-N 2.81Å; T1049-F1053 PolarHBondContact O-N 3.25Å |
| 1050 | Q | 39.3 | Very low | 48.3 | Very low | 115 Ų | 115 | 109.9 Ų | 109.9 | 54% | 0.537 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.5 | -20.3 | 179.4 | -71.9 | -168.4 | -34.2 | 0 | 0 | 113.5 | W1052 F1053 I1054 | Q1050-W1052 VanDerWaalsContact C-N 3.29Å; Q1050-W1052 PolarHBondContact O-N 3.19Å; Q1050-F1053 PolarHBondContact O-N 2.88Å; Q1050-I1054 HydrophobicContact CB-CD1 4.27Å; Q1050-I1054 VanDerWaalsContact O-CB 3.27Å; Q1050-I1054 WeakPolarHBondContact O-CB 3.39Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.06Å; Q1050-I1054 PolarHBondContact O-N 3.27Å |
| 1051 | G | 42.7 | Very low | 49.3 | Very low | 65 Ų | 65 | 107.6 Ų | 107.6 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.9 | -35.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1049 G1055 | T1049-G1051 PolarHBondContact O-N 2.81Å; T1049-G1051 VanDerWaalsContact O-N 3.09Å; G1051-G1055 VanDerWaalsContact O-CA 3.27Å; G1051-G1055 WeakPolarHBondContact O-CA 3.37Å; G1051-G1055 PolarHBondContact O-N 2.89Å |
| 1052 | W | 49.1 | Very low | 51.1 | Low | 196 Ų | 196 | 107.3 Ų | 107.3 | 74% | 0.742 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.1 | -47.8 | 171.6 | 176 | 29.5 | 0 | 0 | 0 | 111.2 | T1049 Q1050 I1054 G1055 L1056 | T1049-W1052 PolarHBondContact O-N 2.81Å; Q1050-W1052 VanDerWaalsContact C-N 3.29Å; Q1050-W1052 PolarHBondContact O-N 3.19Å; W1052-I1054 PolarHBondContact O-N 2.86Å; W1052-G1055 CarbonylContact O-C 3.58Å; W1052-G1055 PolarHBondContact O-N 3.41Å; W1052-L1056 WeakPolarHBondContact O-CA 3.31Å; W1052-L1056 WeakPolarHBondContact O-CB 3.1Å; W1052-L1056 PolarHBondContact O-N 3.41Å |
| 1053 | F | 42.8 | Very low | 53 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.4 | -38.5 | -175.4 | -156.8 | -91.3 | 0 | 0 | 0 | 113.2 | T1049 Q1050 L1056 M1057 | T1049-F1053 PolarHBondContact O-N 3.25Å; Q1050-F1053 PolarHBondContact O-N 2.88Å; F1053-L1056 PolarHBondContact O-N 3.41Å; F1053-M1057 HydrophobicContact CD1-CG 3.94Å; F1053-M1057 HydrophobicContact CE1-CG 3.71Å; F1053-M1057 HydrophobicContact CE1-SD 4.21Å; F1053-M1057 HydrophobicContact CZ-CG 4.46Å; F1053-M1057 WeakPolarHBondContact O-CB 3.39Å; F1053-M1057 VanDerWaalsContact O-CG 3.28Å; F1053-M1057 WeakPolarHBondContact O-CG 3.45Å; F1053-M1057 PolarHBondContact O-N 2.7Å |
| 1054 | I | 56.9 | Low | 55 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.5 | -39.8 | 170.8 | -60.6 | 172.4 | 0 | 0 | 0 | 109.7 | Q1050 W1052 L1056 M1057 C1058 | Q1050-I1054 HydrophobicContact CB-CD1 4.27Å; Q1050-I1054 VanDerWaalsContact O-CB 3.27Å; Q1050-I1054 WeakPolarHBondContact O-CB 3.39Å; Q1050-I1054 WeakPolarHBondContact O-CG1 3.06Å; Q1050-I1054 PolarHBondContact O-N 3.27Å; W1052-I1054 PolarHBondContact O-N 2.86Å; I1054-L1056 PolarHBondContact O-N 2.89Å; I1054-M1057 PolarHBondContact O-N 2.88Å; I1054-C1058 WeakPolarHBondContact O-CB 3.27Å; I1054-C1058 PolarHBondContact O-N 2.94Å; I1054-C1058 PolarHBondContact O-SG 2.95Å; I1054-C1058 VanDerWaalsContact O-SG 3.35Å |
| 1055 | G | 56.2 | Low | 57.2 | Low | 38 Ų | 38 | 97.5 Ų | 97.5 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.7 | -32.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1051 W1052 A1059 | G1051-G1055 VanDerWaalsContact O-CA 3.27Å; G1051-G1055 WeakPolarHBondContact O-CA 3.37Å; G1051-G1055 PolarHBondContact O-N 2.89Å; W1052-G1055 CarbonylContact O-C 3.58Å; W1052-G1055 PolarHBondContact O-N 3.41Å; G1055-A1059 WeakPolarHBondContact O-CA 3.11Å; G1055-A1059 WeakPolarHBondContact O-CB 3.35Å; G1055-A1059 PolarHBondContact O-N 2.92Å |
| 1056 | L | 65 | Low | 59.1 | Low | 61 Ų | 61 | 96 Ų | 96 | 32% | 0.319 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -79.7 | -43.3 | 177.9 | 179.3 | 65.3 | 0 | 0 | 0 | 111 | W1052 F1053 I1054 A1059 I1060 | W1052-L1056 WeakPolarHBondContact O-CA 3.31Å; W1052-L1056 WeakPolarHBondContact O-CB 3.1Å; W1052-L1056 PolarHBondContact O-N 3.41Å; F1053-L1056 PolarHBondContact O-N 3.41Å; I1054-L1056 PolarHBondContact O-N 2.89Å; L1056-A1059 PolarHBondContact O-N 2.95Å; L1056-I1060 HydrophobicContact CD1-CD1 3.91Å; L1056-I1060 HydrophobicContact CD1-CG1 4.2Å; L1056-I1060 HydrophobicContact CG-CD1 3.85Å; L1056-I1060 HydrophobicContact CG-CG1 4.49Å; L1056-I1060 VanDerWaalsContact O-CB 3.22Å; L1056-I1060 WeakPolarHBondContact O-CB 3.25Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.27Å; L1056-I1060 PolarHBondContact O-N 3.41Å |
| 1057 | M | 64.9 | Low | 61 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 174.3 | -70.4 | -65.7 | -71.5 | 0 | 0 | 111.5 | F1053 I1054 A1061 | F1053-M1057 HydrophobicContact CD1-CG 3.94Å; F1053-M1057 HydrophobicContact CE1-CG 3.71Å; F1053-M1057 HydrophobicContact CE1-SD 4.21Å; F1053-M1057 HydrophobicContact CZ-CG 4.46Å; F1053-M1057 WeakPolarHBondContact O-CB 3.39Å; F1053-M1057 VanDerWaalsContact O-CG 3.28Å; F1053-M1057 WeakPolarHBondContact O-CG 3.45Å; F1053-M1057 PolarHBondContact O-N 2.7Å; I1054-M1057 PolarHBondContact O-N 2.88Å; M1057-A1061 WeakPolarHBondContact O-CB 3.3Å; M1057-A1061 PolarHBondContact O-N 2.76Å |
| 1058 | C | 68.6 | Low | 62.4 | Low | 74 Ų | 74 | 92 Ų | 92 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -40.7 | 170.2 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | I1054 A1061 L1062 | I1054-C1058 WeakPolarHBondContact O-CB 3.27Å; I1054-C1058 PolarHBondContact O-N 2.94Å; I1054-C1058 PolarHBondContact O-SG 2.95Å; I1054-C1058 VanDerWaalsContact O-SG 3.35Å; C1058-A1061 CarbonylContact O-C 3.57Å; C1058-A1061 PolarHBondContact O-N 2.75Å; C1058-L1062 WeakPolarHBondContact O-CB 3.22Å; C1058-L1062 PolarHBondContact O-N 2.79Å |
| 1059 | A | 68.6 | Low | 63.9 | Low | 49 Ų | 49 | 92 Ų | 92 | 41% | 0.405 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1055 L1056 L1062 L1063 | G1055-A1059 WeakPolarHBondContact O-CA 3.11Å; G1055-A1059 WeakPolarHBondContact O-CB 3.35Å; G1055-A1059 PolarHBondContact O-N 2.92Å; L1056-A1059 PolarHBondContact O-N 2.95Å; A1059-L1062 CarbonylContact O-C 3.56Å; A1059-L1062 PolarHBondContact O-N 3.11Å; A1059-L1063 VanDerWaalsContact O-CB 3.29Å; A1059-L1063 WeakPolarHBondContact O-CB 3.39Å; A1059-L1063 PolarHBondContact O-N 2.91Å |
| 1060 | I | 76.3 | Confident | 65 | Low | 76 Ų | 76 | 90.3 Ų | 90.3 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 172.3 | -72 | 167.5 | 0 | 0 | 0 | 110 | L1056 L1062 L1063 I1064 | L1056-I1060 HydrophobicContact CD1-CD1 3.91Å; L1056-I1060 HydrophobicContact CD1-CG1 4.2Å; L1056-I1060 HydrophobicContact CG-CD1 3.85Å; L1056-I1060 HydrophobicContact CG-CG1 4.49Å; L1056-I1060 VanDerWaalsContact O-CB 3.22Å; L1056-I1060 WeakPolarHBondContact O-CB 3.25Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.27Å; L1056-I1060 PolarHBondContact O-N 3.41Å; I1060-L1062 VanDerWaalsContact C-N 3.31Å; I1060-L1062 PolarHBondContact O-N 2.71Å; I1060-L1063 PolarHBondContact O-N 3.13Å; I1060-I1064 HydrophobicContact CG2-CD1 3.66Å; I1060-I1064 HydrophobicContact CG2-CG1 4.32Å; I1060-I1064 VanDerWaalsContact O-CB 3.3Å; I1060-I1064 WeakPolarHBondContact O-CB 3.12Å; I1060-I1064 WeakPolarHBondContact O-CG1 3.13Å; I1060-I1064 PolarHBondContact O-N 3.39Å |
| 1061 | A | 74.4 | Confident | 66 | Low | 56 Ų | 56 | 88.4 Ų | 88.4 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1057 C1058 L1065 | M1057-A1061 WeakPolarHBondContact O-CB 3.3Å; M1057-A1061 PolarHBondContact O-N 2.76Å; C1058-A1061 CarbonylContact O-C 3.57Å; C1058-A1061 PolarHBondContact O-N 2.75Å; A1061-L1065 WeakPolarHBondContact O-CB 3.45Å; A1061-L1065 PolarHBondContact O-N 2.87Å |
| 1062 | L | 77 | Confident | 66.7 | Low | 105 Ų | 105 | 92.1 Ų | 92.1 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.6 | -33.9 | 174.3 | -127.5 | 165.9 | 0 | 0 | 0 | 111.6 | C1058 A1059 I1060 L1065 V1066 | C1058-L1062 WeakPolarHBondContact O-CB 3.22Å; C1058-L1062 PolarHBondContact O-N 2.79Å; A1059-L1062 CarbonylContact O-C 3.56Å; A1059-L1062 PolarHBondContact O-N 3.11Å; I1060-L1062 VanDerWaalsContact C-N 3.31Å; I1060-L1062 PolarHBondContact O-N 2.71Å; L1062-L1065 PolarHBondContact O-N 2.85Å; L1062-V1066 HydrophobicContact CD2-CG2 3.92Å; L1062-V1066 WeakPolarHBondContact O-CB 3.5Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.34Å; L1062-V1066 PolarHBondContact O-N 2.78Å |
| 1063 | L | 74.1 | Confident | 66.8 | Low | 105 Ų | 105 | 88 Ų | 88 | 55% | 0.55 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.2 | -39.4 | 175.6 | -137.7 | 170.6 | 0 | 0 | 0 | 109.9 | A1059 I1060 L1067 | A1059-L1063 VanDerWaalsContact O-CB 3.29Å; A1059-L1063 WeakPolarHBondContact O-CB 3.39Å; A1059-L1063 PolarHBondContact O-N 2.91Å; I1060-L1063 PolarHBondContact O-N 3.13Å; L1063-L1067 HydrophobicContact CD2-CD1 3.67Å; L1063-L1067 HydrophobicContact CD2-CG 3.91Å; L1063-L1067 WeakPolarHBondContact O-CB 3.28Å; L1063-L1067 WeakPolarHBondContact O-CD1 3.4Å; L1063-L1067 WeakPolarHBondContact O-CG 3.29Å; L1063-L1067 PolarHBondContact O-N 3.37Å |
| 1064 | I | 76.1 | Confident | 66.9 | Low | 90 Ų | 90 | 88.8 Ų | 88.8 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 170 | -69.8 | 168.1 | 0 | 0 | 0 | 110.3 | I1060 L1067 L1068 | I1060-I1064 HydrophobicContact CG2-CD1 3.66Å; I1060-I1064 HydrophobicContact CG2-CG1 4.32Å; I1060-I1064 VanDerWaalsContact O-CB 3.3Å; I1060-I1064 WeakPolarHBondContact O-CB 3.12Å; I1060-I1064 WeakPolarHBondContact O-CG1 3.13Å; I1060-I1064 PolarHBondContact O-N 3.39Å; I1064-L1067 PolarHBondContact O-N 3.07Å; I1064-L1068 HydrophobicContact CG2-CD1 3.89Å; I1064-L1068 HydrophobicContact CG2-CG 4.36Å; I1064-L1068 VanDerWaalsContact O-CB 3.26Å; I1064-L1068 WeakPolarHBondContact O-CB 3.33Å; I1064-L1068 WeakPolarHBondContact O-CG 3.48Å; I1064-L1068 PolarHBondContact O-N 2.77Å |
| 1065 | L | 77.8 | Confident | 66.5 | Low | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 175.6 | -166.5 | 87.3 | 0 | 0 | 0 | 111.2 | A1061 L1062 L1068 I1069 | A1061-L1065 WeakPolarHBondContact O-CB 3.45Å; A1061-L1065 PolarHBondContact O-N 2.87Å; L1062-L1065 PolarHBondContact O-N 2.85Å; L1065-L1068 PolarHBondContact O-N 3.42Å; L1065-I1069 HydrophobicContact CD2-CD1 4.09Å; L1065-I1069 HydrophobicContact CG-CD1 3.94Å; L1065-I1069 VanDerWaalsContact O-CB 3.31Å; L1065-I1069 WeakPolarHBondContact O-CB 3.31Å; L1065-I1069 WeakPolarHBondContact O-CD1 3.35Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; L1065-I1069 PolarHBondContact O-N 2.9Å |
| 1066 | V | 76.1 | Confident | 65.9 | Low | 70 Ų | 70 | 98.1 Ų | 98.1 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 175.5 | 166.6 | 0 | 0 | 0 | 0 | 110.8 | L1062 I1069 V1070 | L1062-V1066 HydrophobicContact CD2-CG2 3.92Å; L1062-V1066 WeakPolarHBondContact O-CB 3.5Å; L1062-V1066 WeakPolarHBondContact O-CG2 3.34Å; L1062-V1066 PolarHBondContact O-N 2.78Å; V1066-I1069 PolarHBondContact O-N 3.43Å; V1066-V1070 HydrophobicContact CG1-CG2 4.2Å; V1066-V1070 WeakPolarHBondContact O-CB 3.35Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.17Å; V1066-V1070 PolarHBondContact O-N 2.78Å |
| 1067 | L | 69.8 | Low | 64.7 | Low | 95 Ų | 95 | 103.4 Ų | 103.4 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 172.3 | -79 | 167.3 | 0 | 0 | 0 | 111.4 | L1063 I1064 C1071 | L1063-L1067 HydrophobicContact CD2-CD1 3.67Å; L1063-L1067 HydrophobicContact CD2-CG 3.91Å; L1063-L1067 WeakPolarHBondContact O-CB 3.28Å; L1063-L1067 WeakPolarHBondContact O-CD1 3.4Å; L1063-L1067 WeakPolarHBondContact O-CG 3.29Å; L1063-L1067 PolarHBondContact O-N 3.37Å; I1064-L1067 PolarHBondContact O-N 3.07Å; L1067-C1071 WeakPolarHBondContact O-CB 3.4Å; L1067-C1071 PolarHBondContact O-N 2.94Å; L1067-C1071 PolarHBondContact O-SG 3Å |
| 1068 | L | 73.1 | Confident | 63.3 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.2 | -42 | 174.1 | -76.4 | 170.3 | 0 | 0 | 0 | 111.3 | I1064 L1065 C1071 F1072 | I1064-L1068 HydrophobicContact CG2-CD1 3.89Å; I1064-L1068 HydrophobicContact CG2-CG 4.36Å; I1064-L1068 VanDerWaalsContact O-CB 3.26Å; I1064-L1068 WeakPolarHBondContact O-CB 3.33Å; I1064-L1068 WeakPolarHBondContact O-CG 3.48Å; I1064-L1068 PolarHBondContact O-N 2.77Å; L1065-L1068 PolarHBondContact O-N 3.42Å; L1068-C1071 CarbonylContact O-C 3.57Å; L1068-C1071 PolarHBondContact O-N 2.76Å; L1068-F1072 WeakPolarHBondContact O-CB 3.43Å; L1068-F1072 PolarHBondContact O-N 2.95Å |
| 1069 | I | 71.8 | Confident | 61.6 | Low | 83 Ų | 83 | 102.3 Ų | 102.3 | 43% | 0.426 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -43.6 | 174.9 | -72.6 | 165 | 0 | 0 | 0 | 110.7 | L1065 V1066 F1072 I1073 | L1065-I1069 HydrophobicContact CD2-CD1 4.09Å; L1065-I1069 HydrophobicContact CG-CD1 3.94Å; L1065-I1069 VanDerWaalsContact O-CB 3.31Å; L1065-I1069 WeakPolarHBondContact O-CB 3.31Å; L1065-I1069 WeakPolarHBondContact O-CD1 3.35Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; L1065-I1069 PolarHBondContact O-N 2.9Å; V1066-I1069 PolarHBondContact O-N 3.43Å; I1069-F1072 PolarHBondContact O-N 3.44Å; I1069-I1073 HydrophobicContact CG2-CD1 3.7Å; I1069-I1073 HydrophobicContact CG2-CG1 4.46Å; I1069-I1073 WeakPolarHBondContact O-CB 3.36Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.42Å; I1069-I1073 PolarHBondContact O-N 3.17Å |
| 1070 | V | 63.5 | Low | 59.8 | Low | 71 Ų | 71 | 104.6 Ų | 104.6 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -42 | 173.6 | 166.4 | 0 | 0 | 0 | 0 | 110.2 | V1066 F1072 I1073 K1074 | V1066-V1070 HydrophobicContact CG1-CG2 4.2Å; V1066-V1070 WeakPolarHBondContact O-CB 3.35Å; V1066-V1070 WeakPolarHBondContact O-CG2 3.17Å; V1066-V1070 PolarHBondContact O-N 2.78Å; V1070-F1072 VanDerWaalsContact C-N 3.31Å; V1070-F1072 PolarHBondContact O-N 3.01Å; V1070-I1073 PolarHBondContact O-N 3.11Å; V1070-K1074 WeakPolarHBondContact O-CA 3.38Å; V1070-K1074 WeakPolarHBondContact O-CB 3.49Å; V1070-K1074 PolarHBondContact O-N 3.48Å |
| 1071 | C | 61.1 | Low | 57.7 | Low | 75 Ų | 75 | 108 Ų | 108 | 51% | 0.507 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.1 | -32.6 | 172.9 | -78.4 | 0 | 0 | 0 | 0 | 112.2 | L1067 L1068 R1075 | L1067-C1071 WeakPolarHBondContact O-CB 3.4Å; L1067-C1071 PolarHBondContact O-N 2.94Å; L1067-C1071 PolarHBondContact O-SG 3Å; L1068-C1071 CarbonylContact O-C 3.57Å; L1068-C1071 PolarHBondContact O-N 2.76Å; C1071-R1075 WeakPolarHBondContact O-CA 3.5Å; C1071-R1075 WeakPolarHBondContact O-CB 3.29Å; C1071-R1075 PolarHBondContact O-N 2.94Å |
| 1072 | F | 57 | Low | 56 | Low | 142 Ų | 142 | 110.3 Ų | 110.3 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.7 | -42.7 | 174.6 | -145.4 | -91.6 | 0 | 0 | 0 | 111.5 | L1068 I1069 V1070 N1076 | L1068-F1072 WeakPolarHBondContact O-CB 3.43Å; L1068-F1072 PolarHBondContact O-N 2.95Å; I1069-F1072 PolarHBondContact O-N 3.44Å; V1070-F1072 VanDerWaalsContact C-N 3.31Å; V1070-F1072 PolarHBondContact O-N 3.01Å; F1072-N1076 PolarHBondContact O-N 3.12Å |
| 1073 | I | 51.9 | Low | 53.7 | Low | 109 Ų | 109 | 111.7 Ų | 111.7 | 56% | 0.559 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.2 | -38.9 | 175.5 | -68.9 | 167.2 | 0 | 0 | 0 | 111.1 | I1069 V1070 N1076 K1077 | I1069-I1073 HydrophobicContact CG2-CD1 3.7Å; I1069-I1073 HydrophobicContact CG2-CG1 4.46Å; I1069-I1073 WeakPolarHBondContact O-CB 3.36Å; I1069-I1073 VanDerWaalsContact O-CG1 3.25Å; I1069-I1073 WeakPolarHBondContact O-CG1 3.42Å; I1069-I1073 PolarHBondContact O-N 3.17Å; V1070-I1073 PolarHBondContact O-N 3.11Å; I1073-N1076 CarbonylContact O-C 3.59Å; I1073-N1076 PolarHBondContact O-N 2.85Å; I1073-K1077 PolarHBondContact O-N 2.75Å |
| 1074 | K | 45.6 | Very low | 51.5 | Low | 151 Ų | 151 | 115.1 Ų | 115.1 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -77 | -32.5 | 178.3 | -165.5 | 175.5 | -175.8 | -177.3 | 0 | 111.8 | V1070 N1076 K1077 | V1070-K1074 WeakPolarHBondContact O-CA 3.38Å; V1070-K1074 WeakPolarHBondContact O-CB 3.49Å; V1070-K1074 PolarHBondContact O-N 3.48Å; K1074-N1076 PolarHBondContact O-N 3.02Å; K1074-K1077 CarbonylContact O-C 3.5Å; K1074-K1077 PolarHBondContact O-N 3.05Å |
| 1075 | R | 46.6 | Very low | 49.3 | Very low | 210 Ų | 210 | 120.6 Ų | 120.6 | 79% | 0.792 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.6 | -29.4 | 166.9 | 178.1 | 172.5 | 174.4 | 158.4 | -0.5 | 111.9 | C1071 K1077 | C1071-R1075 WeakPolarHBondContact O-CA 3.5Å; C1071-R1075 WeakPolarHBondContact O-CB 3.29Å; C1071-R1075 PolarHBondContact O-N 2.94Å; R1075-K1077 VanDerWaalsContact C-N 3.31Å |
| 1076 | N | 44.3 | Very low | 47.1 | Very low | 124 Ų | 124 | 124.4 Ų | 124.4 | 66% | 0.663 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 5.4 | 171.6 | -71.8 | -3.3 | 0 | 0 | 0 | 114.3 | F1072 I1073 K1074 | F1072-N1076 PolarHBondContact O-N 3.12Å; I1073-N1076 CarbonylContact O-C 3.59Å; I1073-N1076 PolarHBondContact O-N 2.85Å; K1074-N1076 PolarHBondContact O-N 3.02Å |
| 1077 | K | 39.7 | Very low | 44.8 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -143.2 | 80.9 | 171.8 | -74.6 | -167.1 | 175 | -176.2 | 0 | 111.1 | I1073 K1074 R1075 | I1073-K1077 PolarHBondContact O-N 2.75Å; K1074-K1077 CarbonylContact O-C 3.5Å; K1074-K1077 PolarHBondContact O-N 3.05Å; R1075-K1077 VanDerWaalsContact C-N 3.31Å |
| 1078 | G | 35.7 | Very low | 43 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 69% | 0.687 | S | S | * | * | trans | -67 | 157.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1079 | G | 33.4 | Very low | 41.1 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 70% | 0.695 | S | S | * | * | trans | 179.9 | 124.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1080 | K | 31.3 | Very low | 39.3 | Very low | 98 Ų | 98 | 138 Ų | 138 | 43% | 0.426 | 72% | 0.716 | S | S | . | * | trans | -69.8 | 158.1 | 169.1 | -60.4 | 176.4 | 177.8 | 172.2 | 0 | 108.9 | D687 S688 | D687-K1080 IonicContact OD1-NZ 3.3Å; D687-K1080 PolarHBondContact OD1-NZ 2.82Å; D687-K1080 VanDerWaalsContact OD1-NZ 3.16Å; S688-K1080 PolarHBondContact OG-NZ 3.06Å | ||
| 1081 | Y | 30.6 | Very low | 37.7 | Very low | 148 Ų | 148 | 144 Ų | 144 | 58% | 0.58 | 74% | 0.739 | S | S | * | * | -167.4 | 178.2 | 62.7 | -97.2 | -58.8 | 0 | 0 | 0 | 110.4 | S688 | S688-Y1081 PolarHBondContact OG-OH 3.32Š| |||
| 1082 | P | 39.6 | Very low | 36.3 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -129.6 | -165.8 | -142.9 | 34.9 | -11 | 0 | 0 | 0 | 114.7 | ||||
| 1083 | V | 28.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | 71.2 | 123.2 | 173.5 | -155.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1084 | K | 28 | Very low | 34.7 | Very low | 177 Ų | 177 | 150.1 Ų | 150.1 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | -164.2 | 116.9 | 51.5 | -171.6 | 179.5 | -180 | -176.6 | 0 | 111.8 | |||||
| 1085 | E | 30.8 | Very low | 34 | Very low | 206 Ų | 206 | 150.5 Ų | 150.5 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | trans | -125.1 | 113.9 | 150.3 | -79.1 | -175.7 | 157.5 | 0 | 0 | 107.9 | ||||
| 1086 | K | 29.9 | Very low | 33.1 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | -102 | 125.7 | 159 | -97.4 | -167.9 | 167.6 | -161.7 | 0 | 104.7 | ||||
| 1087 | E | 29.4 | Very low | 32.3 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 166.3 | 78.3 | 137.3 | -93.3 | 164.9 | -153 | 0 | 0 | 110.1 | ||||
| 1088 | D | 30.6 | Very low | 31.7 | Very low | 175 Ų | 175 | 149.2 Ų | 149.2 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -166.9 | 54.8 | 159.7 | -110.2 | -18.9 | 0 | 0 | 0 | 109.5 | ||
| 1089 | A | 33.4 | Very low | 31.3 | Very low | 91 Ų | 91 | 153.9 Ų | 153.9 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -155.7 | 54.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1090 | H | 33.5 | Very low | 31.2 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -142.3 | 86.9 | 166.6 | -88.3 | -62.6 | 0 | 0 | 0 | 111.8 | ||||
| 1091 | Q | 31.5 | Very low | 31.2 | Very low | 197 Ų | 197 | 161.6 Ų | 161.6 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -157.2 | 150.8 | 146.4 | -118.9 | 167.1 | 6 | 0 | 0 | 111.5 | ||||
| 1092 | D | 30.5 | Very low | 31.1 | Very low | 150 Ų | 150 | 160 Ų | 160 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | -71.6 | 157 | -162 | -81.3 | -69.1 | 0 | 0 | 0 | 116.5 | E1094 | D1092-E1094 PolarHBondContact O-N 3.04Š| ||
| 1093 | P | 37.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 159 Ų | 159 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -91.2 | 79.9 | 177.8 | 37.5 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 1094 | E | 39 | Very low | 30.6 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -142.6 | 165.4 | 162.8 | -133.3 | -179.2 | -153.4 | 0 | 0 | 113.4 | D1092 | D1092-E1094 PolarHBondContact O-N 3.04Š| ||
| 1095 | I | 29.2 | Very low | 30.5 | Very low | 158 Ų | 158 | 159.3 Ų | 159.3 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | 68.6 | 83 | -170.2 | -46.3 | 173.8 | 0 | 0 | 0 | 113.5 | ||||
| 1096 | Q | 28 | Very low | 30.4 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75 | 143.5 | 156.8 | -65 | -173.7 | 18.8 | 0 | 0 | 110.3 | ||
| 1097 | P | 28.7 | Very low | 30.4 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 140 | 168.2 | 29.8 | -33.7 | 0 | 0 | 0 | 110.6 | K1099 | P1097-K1099 PolarHBondContact O-N 3.12Š|
| 1098 | M | 26 | Very low | 30.2 | Very low | 189 Ų | 189 | 145.7 Ų | 145.7 | 93% | 0.931 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -56 | 129.8 | 179.9 | -69.7 | 162.1 | 55.6 | 0 | 0 | 111.8 | ||
| 1099 | K | 28.4 | Very low | 30 | Very low | 176 Ų | 176 | 146 Ų | 146 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 143.6 | 161.5 | -72.2 | 179.2 | 179.5 | 172.7 | 0 | 109.7 | P1097 D1101 | P1097-K1099 PolarHBondContact O-N 3.12Å; K1099-D1101 PolarHBondContact O-N 2.82Å |
| 1100 | E | 31.6 | Very low | 29.7 | Very low | 199 Ų | 199 | 147 Ų | 147 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -81.9 | 97 | 165.5 | -62.9 | -178 | 134.4 | 0 | 0 | 108.4 | ||||
| 1101 | D | 29.7 | Very low | 29.5 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -72.3 | 132.6 | 176.5 | -81.7 | -14.5 | 0 | 0 | 0 | 111.5 | K1099 G1103 | K1099-D1101 PolarHBondContact O-N 2.82Å; D1101-G1103 PolarHBondContact O-N 2.92Å | ||
| 1102 | D | 28.4 | Very low | 29.4 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | trans | -83.5 | 91.7 | 178.3 | 40.8 | -3.3 | 0 | 0 | 0 | 112.1 | K2 T1104 | K2-D1102 IonicContact NZ-OD2 3.05Å; K2-D1102 PolarHBondContact NZ-OD2 3.43Å; D1102-T1104 PolarHBondContact O-N 2.99Å; D1102-T1104 VanDerWaalsContact O-N 3.17Å | ||
| 1103 | G | 31.1 | Very low | 29.2 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | -56.5 | 114.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1101 | D1101-G1103 PolarHBondContact O-N 2.92Š| ||
| 1104 | T | 26.3 | Very low | 29 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | trans | -143.9 | 139 | 159 | -26.4 | 0 | 0 | 0 | 0 | 110.1 | D1102 | D1102-T1104 PolarHBondContact O-N 2.99Å; D1102-T1104 VanDerWaalsContact O-N 3.17Å | ||
| 1105 | F | 27.2 | Very low | 28.5 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 87% | 0.873 | 74% | 0.742 | S | S | * | * | trans | 60.7 | 99.2 | -179.6 | -78.4 | -87.1 | 0 | 0 | 0 | 116.9 | ||||
| 1106 | G | 28.4 | Very low | 28.4 | Very low | 58 Ų | 58 | 140.5 Ų | 140.5 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | trans | -165.2 | 42.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R252 | R252-G1106 PolarHBondContact NH1-O 2.67Š| ||
| 1107 | E | 29.9 | Very low | 28.6 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 44% | 0.439 | 74% | 0.739 | S | S | . | * | trans | -131.4 | 136.7 | 175.9 | -70.9 | 158.4 | -153 | 0 | 0 | 107.1 | ||||
| 1108 | Y | 25.4 | Very low | 28.6 | Very low | 135 Ų | 135 | 142 Ų | 142 | 53% | 0.529 | 75% | 0.746 | S | S | . | * | cis | -128.2 | 134.8 | 18.3 | -69.5 | -118 | 0 | 0 | 0 | 112.5 | I367 | I367-Y1108 HydrophobicContact CD1-CE1 4.5Å; I367-Y1108 WeakPolarHBondContact CD1-OH 3.29Å | ||
| 1109 | R | 25.7 | Very low | 28.7 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 68% | 0.683 | 74% | 0.74 | S | S | * | * | trans | -149.7 | 117.3 | 140.6 | -72.6 | -160.6 | 175.8 | 163.6 | -0.5 | 108.8 | D359 | D359-R1109 IonicContact OD1-NH2 3.08Å; D359-R1109 IonicContact OD2-NH2 2.92Å; D359-R1109 PolarHBondContact OD2-NH2 3.15Å | ||
| 1110 | S | 27.5 | Very low | 29.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -86.3 | 167.2 | 172.3 | 36.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1111 | I | 29.2 | Very low | 29.3 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | -131.1 | 138.4 | -171.3 | -57.1 | 163.9 | 0 | 0 | 0 | 108.5 | ||||
| 1112 | E | 29.4 | Very low | 29.1 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | trans | 166.9 | 158.2 | 142.4 | -92.7 | 157.7 | -148.8 | 0 | 0 | 108.8 | R267 | R267-E1112 IonicContact CZ-OE1 2.66Å; R267-E1112 VanDerWaalsContact CZ-OE1 3.3Å; R267-E1112 IonicContact NH1-OE1 3.63Å; R267-E1112 PolarHBondContact NH1-OE1 3.04Å; R267-E1112 IonicContact NH2-OE1 2.61Å; R267-E1112 PolarHBondContact NH2-OE1 2.91Å | ||
| 1113 | S | 27.1 | Very low | 29 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | cis | -148.5 | 160.7 | 5.1 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1114 | D | 32.8 | Very low | 28.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -90.4 | 135.4 | 163.8 | -78.8 | -59.7 | 0 | 0 | 0 | 111.9 | ||||
| 1115 | T | 29.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -167.2 | 146.3 | 159.5 | 38.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1116 | E | 27.4 | Very low | 28.7 | Very low | 186 Ų | 186 | 141 Ų | 141 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | cis | -152.3 | 178.6 | 2.8 | -135.2 | 177.2 | -173.3 | 0 | 0 | 111.1 | ||||
| 1117 | D | 31.7 | Very low | 29.3 | Very low | 130 Ų | 130 | 143.9 Ų | 143.9 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | trans | -74 | 155.1 | -174.9 | -133.6 | -44.1 | 0 | 0 | 0 | 114.5 | ||||
| 1118 | H | 28.1 | Very low | 29.1 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 89% | 0.889 | 76% | 0.763 | S | S | * | * | trans | -173.1 | 118.7 | 138.7 | -94.9 | -27.9 | 0 | 0 | 0 | 115.5 | ||||
| 1119 | K | 29 | Very low | 29.1 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 81% | 0.809 | 78% | 0.778 | S | S | * | * | trans | -97 | -179.1 | 155.1 | -75.8 | 172.9 | 178 | 158.7 | 0 | 109 | ||||
| 1120 | P | 45.8 | Very low | 29.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | cis | -139.2 | -178 | 5.8 | 36.1 | -14.4 | 0 | 0 | 0 | 116.2 | ||||
| 1121 | L | 25.8 | Very low | 29.1 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | 173.7 | 122.6 | 116.8 | -92 | 164 | 0 | 0 | 0 | 116.6 | |||||
| 1122 | K | 26.8 | Very low | 29 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | 27.9 | 127.2 | 144.7 | -64.4 | 174 | -175.9 | 169.9 | 0 | 121.7 | ||||
| 1123 | G | 26.3 | Very low | 28.8 | Very low | 83 Ų | 83 | 142 Ų | 142 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -158.7 | 53.8 | 167 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1124 | S | 25.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 146.4 Ų | 146.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -68.4 | 132.7 | -175 | 175.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1125 | R | 26.6 | Very low | 28.8 | Very low | 239 Ų | 239 | 143.3 Ų | 143.3 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | -172.7 | 121.3 | 123.4 | -104.6 | 168.4 | -177.4 | 179.1 | 0.6 | 115.3 | |||||
| 1126 | T | 25.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -82 | -179.2 | 146.9 | 52.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1127 | P | 40.9 | Very low | 29.2 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -125.6 | -152.7 | 3.7 | 43.6 | -24.1 | 0 | 0 | 0 | 111.1 | ||||
| 1128 | S | 25.9 | Very low | 29.2 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | cis | -163.6 | 161 | 9.8 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1129 | N | 25 | Very low | 29.3 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | trans | 31.3 | 123.9 | 144.5 | -51 | -6.6 | 0 | 0 | 0 | 119 | ||||
| 1130 | G | 26.2 | Very low | 29.5 | Very low | 62 Ų | 62 | 135.7 Ų | 135.7 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | cis | 104.6 | 166.9 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1131 | T | 26.5 | Very low | 28.7 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | trans | 70 | 143.7 | 172.7 | 77.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1132 | V | 27.2 | Very low | 28.9 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | -171.6 | 170.2 | 0.1 | 115.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1133 | R | 26.7 | Very low | 29.3 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | 73.5 | 151 | 165.4 | -84.8 | 151.1 | -159.4 | 177.3 | 4.6 | 116.9 | ||||
| 1134 | R | 28.3 | Very low | 29.5 | Very low | 195 Ų | 195 | 141 Ų | 141 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -168.2 | 162.1 | -21.3 | -121.7 | -167.7 | 157.6 | 175.2 | -21.8 | 109.7 | ||||
| 1135 | D | 29.7 | Very low | 29.8 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 52% | 0.519 | 74% | 0.743 | S | S | . | * | trans | 23.2 | 150.6 | 132.7 | -43.7 | -5 | 0 | 0 | 0 | 118.9 | ||||
| 1136 | E | 32.9 | Very low | 30.2 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -169.4 | 169.6 | 24.9 | -145.4 | 150.7 | -149.9 | 0 | 0 | 112.1 | ||||
| 1137 | S | 33.6 | Very low | 30.4 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | trans | 65.7 | 167.2 | 150.4 | 64.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1138 | D | 31.3 | Very low | 29.8 | Very low | 146 Ų | 146 | 133 Ų | 133 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | cis | -171.6 | -176.3 | -49.9 | -142.1 | -35 | 0 | 0 | 0 | 108 | ||||
| 1139 | D | 30.9 | Very low | 30 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | trans | 67.1 | 155.2 | 163 | -73.8 | -31.1 | 0 | 0 | 0 | 119.1 | ||||
| 1140 | S | 32.2 | Very low | 30.2 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -168.5 | 159.4 | -27.3 | 61.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1141 | L | 28.5 | Very low | 30.3 | Very low | 153 Ų | 153 | 139.3 Ų | 139.3 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | 56.6 | 124.3 | 144.7 | -91.5 | 77.8 | 0 | 0 | 0 | 124.8 | ||||
| 1142 | V | 30.6 | Very low | 30.4 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | 80.7 | 98.2 | 123.7 | 173.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1143 | D | 34.3 | Very low | 30.6 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | 50.2 | 116.2 | 108.3 | -163.2 | 24.6 | 0 | 0 | 0 | 122.5 | |||||
| 1144 | Y | 32.2 | Very low | 31.4 | Very low | 235 Ų | 235 | 141.3 Ų | 141.3 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | trans | -159 | 150.8 | 143.4 | -85.2 | -85.2 | 0 | 0 | 0 | 106.2 | ||||
| 1145 | G | 30.1 | Very low | 31.5 | Very low | 54 Ų | 54 | 139.9 Ų | 139.9 | 56% | 0.557 | 79% | 0.789 | S | S | * | * | cis | 150.1 | 130.4 | -2.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1146 | E | 35.1 | Very low | 31.4 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 98% | 0.977 | 80% | 0.798 | S | S | * | * | trans | 67.1 | 148 | 179.6 | -50.2 | -175.7 | 156.5 | 0 | 0 | 116.2 | ||||
| 1147 | G | 29.7 | Very low | 31.4 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | cis | 159.1 | 141.2 | -8.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1148 | G | 28.9 | Very low | 31 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | 154.2 | 104.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1149 | D | 31.2 | Very low | 30.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -81 | 156.8 | 176.7 | -60.7 | -77.6 | 0 | 0 | 0 | 114.1 | ||||
| 1150 | G | 28.2 | Very low | 30.7 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -171.4 | 111.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1151 | Q | 29 | Very low | 30.6 | Very low | 189 Ų | 189 | 142 Ų | 142 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | trans | -97.4 | 156.1 | -172 | -69.8 | 178.7 | -18 | 0 | 0 | 114.3 | ||||
| 1152 | F | 28.7 | Very low | 30.7 | Very low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.772 | 82% | 0.818 | S | S | * | * | trans | -10.9 | 150.4 | 157.4 | -83.3 | -97.6 | 0 | 0 | 0 | 119.8 | ||||
| 1153 | N | 31 | Very low | 30.9 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | -165 | 166.2 | 107.4 | -91.8 | -18.5 | 0 | 0 | 0 | 113.1 | |||||
| 1154 | E | 42.5 | Very low | 31.1 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -109.5 | 122.3 | -175.1 | -56.2 | 173.9 | 109.6 | 0 | 0 | 111.8 | ||||
| 1155 | D | 30.4 | Very low | 31.1 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -137.5 | 125.9 | 171.2 | -74.5 | 98.3 | 0 | 0 | 0 | 109.6 | ||||
| 1156 | G | 28.6 | Very low | 31.6 | Very low | 69 Ų | 69 | 146.9 Ų | 146.9 | 71% | 0.711 | 83% | 0.833 | S | S | * | * | trans | -121.8 | 178 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1157 | S | 32.5 | Very low | 31.7 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 89.2 | 103.8 | 158.6 | 79.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1158 | F | 26 | Very low | 32.3 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | 75.6 | 158.6 | 113 | -121.1 | -93.3 | 0 | 0 | 0 | 123.2 | |||||
| 1159 | I | 28.4 | Very low | 32.7 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | 82.1 | 132.1 | 168.7 | -52.7 | 175.3 | 0 | 0 | 0 | 117.2 | ||||
| 1160 | G | 27.2 | Very low | 33 | Very low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 152.5 | 71.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1161 | Q | 29.9 | Very low | 33.3 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 144.5 | 160.4 | -70.5 | 179.3 | -31.5 | 0 | 0 | 110.4 | ||||
| 1162 | Y | 31.2 | Very low | 33.7 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | 179.5 | 152.3 | 114.8 | -107.3 | -78.1 | 0 | 0 | 0 | 114.2 | |||||
| 1163 | S | 34.3 | Very low | 33.7 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -36.9 | 150.2 | 171.7 | 55.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1164 | G | 37.3 | Very low | 33.7 | Very low | 70 Ų | 70 | 145.6 Ų | 145.6 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | 124.3 | 169.8 | 29.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1165 | K | 33.1 | Very low | 33.2 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -165.5 | 168.5 | 152.6 | -117.8 | -178 | -178.2 | -171.5 | 0 | 113.4 | ||||
| 1166 | K | 40.8 | Very low | 33.2 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -112.3 | 162.9 | 179.1 | -65 | 178.5 | 171.7 | -176.2 | 0 | 111.2 | ||||
| 1167 | E | 37.1 | Very low | 33.2 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | -163.9 | 134.3 | 118.7 | -99.8 | 161.3 | -176.5 | 0 | 0 | 107.8 | |||||
| 1168 | K | 42.4 | Very low | 32.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | 72.5 | 143.6 | 75.4 | -78.5 | -170.8 | 133.5 | -100.9 | 0 | 113.5 | |||||
| 1169 | D | 36.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -142.5 | -173.4 | -0.6 | -94.1 | -40.4 | 0 | 0 | 0 | 108.3 | ||||
| 1170 | T | 37.8 | Very low | 34.3 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | cis | -142.8 | -145.6 | 8.6 | -17.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1171 | H | 35.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -143.5 | -136.7 | 1.1 | -133.8 | -59.8 | 0 | 0 | 0 | 111.2 | ||||
| 1172 | E | 35.9 | Very low | 36.1 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -126.4 | 162.5 | -166.3 | -66.1 | 156.4 | 119.5 | 0 | 0 | 114.4 | ||||
| 1173 | G | 29.3 | Very low | 35.8 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 177.3 | 140.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1174 | N | 31.2 | Very low | 35.5 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | -119.5 | 157 | -159.2 | -142.6 | 30 | 0 | 0 | 0 | 116.5 | ||||
| 1175 | E | 31.2 | Very low | 35.1 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 63.2 | 112.1 | 148.5 | -83.4 | 167.9 | 146.4 | 0 | 0 | 123.8 | ||||
| 1176 | S | 30.5 | Very low | 34.9 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | 99.4 | 124.5 | 116 | 75.4 | 0 | 0 | 0 | 0 | 123 | |||||
| 1177 | S | 28.7 | Very low | 34.5 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 87.6 | 143.8 | 137.3 | 73.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1178 | E | 27.5 | Very low | 34.5 | Very low | 196 Ų | 196 | 127.7 Ų | 127.7 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | trans | 68 | 141.5 | 162.4 | -64.5 | -170.9 | 162.4 | 0 | 0 | 122.3 | ||||
| 1179 | A | 35.3 | Very low | 34.3 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | -123.4 | 155.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1180 | P | 48 | Very low | 34.7 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -154 | -170.3 | 89.2 | 35.4 | -13.2 | 0 | 0 | 0 | 115.1 | |||||
| 1181 | S | 37.1 | Very low | 34.5 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -68 | -165 | 153.4 | -40.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1182 | P | 56.8 | Low | 34.5 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | cis | -147.9 | -165.7 | 3.9 | 33.8 | -7.1 | 0 | 0 | 0 | 116.5 | ||||
| 1183 | V | 26.6 | Very low | 34.4 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 70% | 0.697 | 79% | 0.791 | S | S | * | * | trans | 79.7 | 125.4 | 132.6 | 139.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1184 | N | 27.5 | Very low | 34.7 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | 60.3 | 158.6 | 146.9 | -67.8 | 0.7 | 0 | 0 | 0 | 121.3 | ||||
| 1185 | A | 28.2 | Very low | 34.9 | Very low | 78 Ų | 78 | 134 Ų | 134 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | cis | -174.6 | 171.7 | -25 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1186 | M | 29.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 132.5 Ų | 132.5 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | trans | 64 | 152.9 | 165.6 | -72 | -178.5 | 173.2 | 0 | 0 | 115.7 | ||||
| 1187 | N | 33.4 | Very low | 35.5 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | cis | 178.8 | 160.6 | -19.1 | -108.2 | -2.7 | 0 | 0 | 0 | 104.7 | ||||
| 1188 | S | 36 | Very low | 36 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | trans | 71.7 | 139.7 | 167.7 | 78 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1189 | F | 39.2 | Very low | 36.7 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | cis | -141.7 | 150.3 | 23.8 | -100.1 | -85.2 | 0 | 0 | 0 | 113.7 | ||||
| 1190 | V | 43.1 | Very low | 36.8 | Very low | 213 Ų | 213 | 135.5 Ų | 135.5 | 100% | 1.291 | 80% | 0.798 | S | S | * | * | trans | 61 | 0 | 168.1 | -171.4 | 0 | 0 | 0 | 0 | 115.4 |
Retrieved 1,190 of 1,190 residues in 726.4 ms
(Link to these results)